A0A087XAS2_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 A0A087XAS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 132 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
1M52.8Low83.1Confident184 Ų18459.9 Ų59.991%0.90631%0.311SS*.  0-25.10-71.2-176.7-179.100113.6F3 N4M1-F3 PolarHBondContact O-N 3.37Å; M1-N4 PolarHBondContact O-N 3.27Å
2T69.9Low83.5Confident66 Ų6658.8 Ų58.841%0.40531%0.306SS..THydrogen-bonded Turntrans-64-35-177.5-40.50000114.5I109T2-I109 HydrophobicContact CG2-CB 4.3Å; T2-I109 HydrophobicContact CG2-CG1 4.12Å; T2-I109 HydrophobicContact CG2-CG2 4.37Å
3F76.5Confident83.9Confident1 Ų162.3 Ų62.30%0.00432%0.32CS..THydrogen-bonded Turntrans-84.2-12.3-179.8-64.3-83.6000113.8M1 G5 W7 I41 M85 D88 L90 R107 I109 L114M1-F3 PolarHBondContact O-N 3.37Å; F3-G5 PolarHBondContact O-N 3.03Å; F3-W7 PolarHBondContact O-NE1 3.15Å; F3-I41 HydrophobicContact CB-CD1 4.38Å; F3-I41 HydrophobicContact CB-CG2 4.03Å; F3-I41 WeakPolarHBondContact O-CB 3.25Å; F3-M85 HydrophobicContact CE2-CE 4.11Å; F3-D88 VanDerWaalsContact CZ-O 3.27Å; F3-D88 WeakPolarHBondContact CZ-O 3.41Å; F3-L90 HydrophobicContact CE1-CB 4.49Å; F3-L90 HydrophobicContact CE2-CB 4.48Å; F3-L90 HydrophobicContact CZ-CB 4.13Å; F3-R107 HydrophobicContact CE1-CB 4.44Å; F3-I109 HydrophobicContact CD1-CD1 3.66Å; F3-I109 HydrophobicContact CD1-CG1 3.64Å; F3-I109 HydrophobicContact CE1-CD1 3.85Å; F3-I109 HydrophobicContact CE1-CG1 3.5Å; F3-I109 HydrophobicContact CG-CG1 4.34Å; F3-I109 HydrophobicContact CZ-CG1 4.08Å; F3-L114 HydrophobicContact CD1-CD1 4Å; F3-L114 HydrophobicContact CE1-CD1 4.03Å
4N84.7Confident84.1Confident57 Ų5763 Ų6331%0.30533%0.325SS..  trans-64.8135.1-173.8-76.65.9000110.9M1 I41 Q43M1-N4 PolarHBondContact O-N 3.27Å; N4-I41 VanDerWaalsContact CA-O 3.3Å; N4-I41 WeakPolarHBondContact CA-O 3.35Å; N4-Q43 WeakPolarHBondContact OD1-CB 3.14Å; N4-Q43 PolarHBondContact OD1-N 3.36Å
5G87.6Confident84.1Confident29 Ų2960.7 Ų60.730%0.29931%0.311SS..EExtended strand (participates in β ladder)trans127.6-170.6-179.900000112F3 T40 I41F3-G5 PolarHBondContact O-N 3.03Å; G5-T40 WeakPolarHBondContact O-CA 3.44Å; G5-I41 PolarHBondContact N-O 2.74Å; G5-I41 PolarHBondContact O-N 3.05Å
6T90.8Very high84.1Confident30 Ų3062.9 Ų62.918%0.18432%0.319CS..EExtended strand (participates in β ladder)trans-109.8130.7-173.5-67.70000109.5K38 I39 T40 R131 S132T6-K38 HydrophobicContact CG2-CD 3.96Å; T6-K38 HydrophobicContact CG2-CG 3.68Å; T6-I39 CarbonylContact C-O 3.57Å; T6-T40 PolarHBondContact OG1-OG1 3.37Å; T6-R131 CarbonylContact O-C 3.59Å; T6-R131 WeakPolarHBondContact O-CA 3.48Å; T6-S132 PolarHBondContact O-N 3.49Å
7W91.7Very high84.2Confident1 Ų166.9 Ų66.90%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-123118.8-174.5-56.294.7000108.8F3 K38 I39 I109 L114 F129 K130 R131F3-W7 PolarHBondContact O-NE1 3.15Å; W7-K38 CarbonylContact O-C 3.56Å; W7-K38 WeakPolarHBondContact O-CA 3.37Å; W7-I39 HydrophobicContact CB-CB 4.44Å; W7-I39 PolarHBondContact N-O 2.78Å; W7-I39 PolarHBondContact O-N 2.85Å; W7-I109 HydrophobicContact CH2-CD1 3.56Å; W7-I109 HydrophobicContact CZ2-CD1 3.6Å; W7-I109 HydrophobicContact CZ3-CD1 4.26Å; W7-L114 HydrophobicContact CB-CD2 3.91Å; W7-L114 HydrophobicContact CD2-CB 3.66Å; W7-L114 HydrophobicContact CD2-CD2 3.92Å; W7-L114 HydrophobicContact CD2-CG 4.4Å; W7-L114 HydrophobicContact CE3-CB 3.4Å; W7-L114 VanDerWaalsContact CE3-CB 3.4Å; W7-L114 HydrophobicContact CE3-CD2 4.49Å; W7-L114 HydrophobicContact CG-CB 4.22Å; W7-L114 HydrophobicContact CG-CD2 3.62Å; W7-L114 HydrophobicContact CH2-CB 4.31Å; W7-L114 HydrophobicContact CZ3-CB 3.76Å; W7-F129 HydrophobicContact CB-CB 3.85Å; W7-F129 HydrophobicContact CB-CG 4.43Å; W7-K130 CarbonylContact C-O 3.51Å; W7-K130 WeakPolarHBondContact CA-O 3.43Å; W7-R131 HydrophobicContact CE3-CB 4.13Å; W7-R131 HydrophobicContact CH2-CB 4.47Å; W7-R131 HydrophobicContact CZ3-CB 3.92Å
8K91.2Very high84.4Confident94 Ų9463.6 Ų63.641%0.40932%0.317SS..EExtended strand (participates in β ladder)trans-102.4134.8175.9-172.1178.7177.6-176.30109.4D10 F129 K130K8-D10 PolarHBondContact O-N 2.83Å; K8-F129 CarbonylContact O-C 3.52Å; K8-F129 WeakPolarHBondContact O-CA 3.39Å; K8-K130 PolarHBondContact N-O 3.1Å; K8-K130 PolarHBondContact O-N 2.67Å
9V90.5Very high84.3Confident21 Ų2161.5 Ų61.513%0.12731%0.306CS..EExtended strand (participates in β ladder)trans-58.9129.7176.668.10000109.8N12 L37 F129V9-N12 WeakPolarHBondContact CG2-OD1 3.26Å; V9-L37 HydrophobicContact CB-CB 4.48Å; V9-L37 HydrophobicContact CG1-CB 4.25Å; V9-L37 PolarHBondContact N-O 3.26Å; V9-F129 VanDerWaalsContact CA-CD1 3.47Å; V9-F129 HydrophobicContact CB-CD1 3.8Å; V9-F129 HydrophobicContact CB-CE1 3.75Å; V9-F129 HydrophobicContact CG2-CD1 4.41Å; V9-F129 HydrophobicContact CG2-CE1 4.2Å
10D89.8Confident84.4Confident73 Ų7363.5 Ų63.539%0.3932%0.315SS..EExtended strand (participates in β ladder)trans-102.9-50.4177.1179.3-104.2000109.7K8 I128 K130K8-D10 PolarHBondContact O-N 2.83Å; D10-I128 PolarHBondContact N-O 3.33Å; D10-K130 HydrophobicContact CB-CD 4.11Å; D10-K130 HydrophobicContact CB-CG 4.01Å; D10-K130 VanDerWaalsContact CG-NZ 3.33Å; D10-K130 IonicContact OD1-NZ 3.73Å; D10-K130 PolarHBondContact OD1-NZ 3.44Å; D10-K130 WeakPolarHBondContact OD2-CD 3.15Å; D10-K130 VanDerWaalsContact OD2-CE 3.29Å; D10-K130 WeakPolarHBondContact OD2-CE 3.29Å; D10-K130 IonicContact OD2-NZ 2.7Å; D10-K130 PolarHBondContact OD2-NZ 2.82Å
11R88.5Confident84.4Confident103 Ų10365.8 Ų65.839%0.38932%0.323SS..EExtended strand (participates in β ladder)trans-152154.6-17859.8-173.3-177-81.91.5111.7E113 I128R11-E113 IonicContact CZ-OE1 3.43Å; R11-E113 IonicContact CZ-OE2 3.22Å; R11-E113 IonicContact NH1-OE1 3.11Å; R11-E113 PolarHBondContact NH1-OE1 2.91Å; R11-E113 IonicContact NH1-OE2 2.99Å; R11-E113 IonicContact NH2-OE1 2.77Å; R11-E113 PolarHBondContact NH2-OE1 2.91Å; R11-E113 IonicContact NH2-OE2 2.78Å; R11-E113 PolarHBondContact NH2-OE2 2.95Å; R11-I128 HydrophobicContact CG-CB 3.82Å; R11-I128 HydrophobicContact CG-CD1 3.79Å; R11-I128 HydrophobicContact CG-CG1 4.27Å; R11-I128 PolarHBondContact N-O 3.22Å; R11-I128 PolarHBondContact O-N 3.05Å
12N87.9Confident85.7Confident47 Ų4757.9 Ų57.925%0.25128%0.284SS..EExtended strand (participates in β ladder)trans-123.8141.2177-47-64.2000109.4V9 S33 K126 R127V9-N12 WeakPolarHBondContact CG2-OD1 3.26Å; N12-S33 PolarHBondContact ND2-O 2.82Å; N12-K126 CarbonylContact C-O 3.54Å; N12-K126 WeakPolarHBondContact CA-O 3.27Å; N12-R127 HydrophobicContact CB-CG 4.41Å; N12-R127 WeakPolarHBondContact OD1-CG 3.4Å; N12-R127 PolarHBondContact OD1-NE 2.78Å
13E88.8Confident86.1Confident104 Ų10457.6 Ų57.649%0.48629%0.294SS..EExtended strand (participates in β ladder)trans-116.8124.2174.2-59-175.789.100108.9Y15 A125 K126 I128E13-Y15 PolarHBondContact O-N 2.8Å; E13-A125 CarbonylContact O-C 3.59Å; E13-A125 WeakPolarHBondContact O-CA 3.38Å; E13-A125 WeakPolarHBondContact O-CB 3.22Å; E13-K126 HydrophobicContact CB-CB 4.18Å; E13-K126 PolarHBondContact N-O 3.04Å; E13-K126 PolarHBondContact O-N 2.99Å; E13-I128 HydrophobicContact CG-CD1 4.07Å
14N86.8Confident86.3Confident72 Ų7258.3 Ų58.339%0.38530%0.299SS..SBendtrans57.811.8174.9-148.241.1000115.8E16 K17 F18 D124 A125N14-E16 VanDerWaalsContact C-N 3.33Å; N14-E16 PolarHBondContact O-N 2.77Å; N14-K17 PolarHBondContact O-N 3.43Å; N14-K17 WeakPolarHBondContact OD1-CD 3.35Å; N14-K17 WeakPolarHBondContact OD1-CE 3.31Å; N14-K17 WeakPolarHBondContact OD1-CG 3.29Å; N14-F18 PolarHBondContact O-N 3.39Å; N14-F18 VanDerWaalsContact O-N 3.14Å; N14-D124 WeakPolarHBondContact CB-O 3.49Å; N14-D124 PolarHBondContact ND2-O 2.85Å; N14-A125 HydrophobicContact CB-CB 4.47Å
15Y83.7Confident86.1Confident29 Ų2961 Ų6111%0.11431%0.313CS..Hα-helixtrans-63.3-36.2-177.6-170.7-117.4000112.6E13 K17 F18 M19 A32 F118 A125 R127E13-Y15 PolarHBondContact O-N 2.8Å; Y15-K17 PolarHBondContact O-N 2.83Å; Y15-F18 HydrophobicContact CD2-CD1 4.1Å; Y15-F18 HydrophobicContact CE2-CD1 4.1Å; Y15-F18 HydrophobicContact CE2-CE1 4.24Å; Y15-F18 PolarHBondContact O-N 2.81Å; Y15-M19 HydrophobicContact CD1-CG 4.25Å; Y15-M19 HydrophobicContact CD1-SD 3.84Å; Y15-M19 HydrophobicContact CE1-CE 3.84Å; Y15-M19 HydrophobicContact CE1-CG 4.03Å; Y15-M19 HydrophobicContact CE1-SD 3.39Å; Y15-M19 WeakPolarHBondContact CE1-SD 3.46Å; Y15-M19 HydrophobicContact CE2-CG 4.33Å; Y15-M19 VanDerWaalsContact O-CG 3.3Å; Y15-M19 WeakPolarHBondContact O-CG 3.22Å; Y15-M19 PolarHBondContact O-N 2.88Å; Y15-A32 HydrophobicContact CE1-CB 4.34Å; Y15-F118 HydrophobicContact CE2-CE2 4.29Å; Y15-A125 HydrophobicContact CD2-CB 4.43Å; Y15-R127 HydrophobicContact CD2-CG 3.96Å; Y15-R127 HydrophobicContact CE2-CG 4.28Å; Y15-R127 HydrophobicContact CG-CG 4.3Å; Y15-R127 PolarHBondContact OH-NH1 3.44Å
16E84.1Confident85.7Confident95 Ų9564.9 Ų64.944%0.44433%0.325SS..Hα-helixtrans-61.4-42174.6-68.4-172.296.600112.4N14 M19 E20 R29 S33N14-E16 VanDerWaalsContact C-N 3.33Å; N14-E16 PolarHBondContact O-N 2.77Å; E16-M19 PolarHBondContact O-N 3.42Å; E16-E20 WeakPolarHBondContact O-CB 3.38Å; E16-E20 PolarHBondContact O-N 2.85Å; E16-R29 WeakPolarHBondContact O-CD 3.39Å; E16-S33 WeakPolarHBondContact CG-OG 3.3Å
17K86.2Confident85.2Confident132 Ų13268.2 Ų68.257%0.57435%0.345SS*.Hα-helixtrans-67.4-39177.5-65.7-161.5-165.2166.70111.8N14 Y15 E20 K21 V123N14-K17 PolarHBondContact O-N 3.43Å; N14-K17 WeakPolarHBondContact OD1-CD 3.35Å; N14-K17 WeakPolarHBondContact OD1-CE 3.31Å; N14-K17 WeakPolarHBondContact OD1-CG 3.29Å; Y15-K17 PolarHBondContact O-N 2.83Å; K17-E20 WeakPolarHBondContact O-CB 3.48Å; K17-E20 PolarHBondContact O-N 2.82Å; K17-K21 PolarHBondContact O-N 2.8Å; K17-V123 HydrophobicContact CB-CG1 4.24Å
18F87.3Confident84.4Confident6 Ų672.7 Ų72.73%0.02636%0.364CS..Hα-helixtrans-61.9-46.7174.6165.6-92.4000111.7N14 Y15 E20 K21 M22 L103 F118 Y120 V123 A125N14-F18 PolarHBondContact O-N 3.39Å; N14-F18 VanDerWaalsContact O-N 3.14Å; Y15-F18 HydrophobicContact CD2-CD1 4.1Å; Y15-F18 HydrophobicContact CE2-CD1 4.1Å; Y15-F18 HydrophobicContact CE2-CE1 4.24Å; Y15-F18 PolarHBondContact O-N 2.81Å; F18-E20 VanDerWaalsContact C-N 3.31Å; F18-E20 PolarHBondContact O-N 3.03Å; F18-K21 PolarHBondContact O-N 2.75Å; F18-K21 VanDerWaalsContact O-N 3.11Å; F18-M22 HydrophobicContact CD1-SD 4.38Å; F18-M22 HydrophobicContact CE1-CE 3.65Å; F18-M22 HydrophobicContact CE1-CG 4.32Å; F18-M22 HydrophobicContact CE1-SD 3.57Å; F18-M22 VanDerWaalsContact CE1-SD 3.57Å; F18-M22 HydrophobicContact CE2-CE 3.71Å; F18-M22 HydrophobicContact CE2-SD 4.49Å; F18-M22 HydrophobicContact CZ-CE 3.06Å; F18-M22 HydrophobicContact CZ-CG 4.33Å; F18-M22 HydrophobicContact CZ-SD 3.68Å; F18-M22 PolarHBondContact O-N 2.94Å; F18-L103 HydrophobicContact CE2-CD1 3.5Å; F18-L103 HydrophobicContact CZ-CD1 3.56Å; F18-F118 HydrophobicContact CD2-CB 4.03Å; F18-F118 HydrophobicContact CE1-CB 4.31Å; F18-F118 HydrophobicContact CE1-CG 4.41Å; F18-F118 HydrophobicContact CE2-CB 3.54Å; F18-F118 HydrophobicContact CE2-CG 4.41Å; F18-F118 HydrophobicContact CZ-CB 3.68Å; F18-F118 HydrophobicContact CZ-CD1 4.09Å; F18-F118 HydrophobicContact CZ-CG 4.05Å; F18-Y120 HydrophobicContact CE2-CG 4.5Å; F18-V123 HydrophobicContact CB-CG1 4.18Å; F18-A125 HydrophobicContact CB-CB 3.52Å; F18-A125 HydrophobicContact CD2-CB 4.49Å; F18-A125 HydrophobicContact CG-CB 4.02Å
19M83.3Confident84Confident24 Ų2469.9 Ų69.912%0.11835%0.351CS..Hα-helixtrans-64.7-37.4176.7-68.5-168.6115.500111.8Y15 E16 K21 M22 G23 V24 R29 A32Y15-M19 HydrophobicContact CD1-CG 4.25Å; Y15-M19 HydrophobicContact CD1-SD 3.84Å; Y15-M19 HydrophobicContact CE1-CE 3.84Å; Y15-M19 HydrophobicContact CE1-CG 4.03Å; Y15-M19 HydrophobicContact CE1-SD 3.39Å; Y15-M19 WeakPolarHBondContact CE1-SD 3.46Å; Y15-M19 HydrophobicContact CE2-CG 4.33Å; Y15-M19 VanDerWaalsContact O-CG 3.3Å; Y15-M19 WeakPolarHBondContact O-CG 3.22Å; Y15-M19 PolarHBondContact O-N 2.88Å; E16-M19 PolarHBondContact O-N 3.42Å; M19-K21 VanDerWaalsContact C-N 3.27Å; M19-K21 PolarHBondContact O-N 2.91Å; M19-M22 WeakPolarHBondContact O-CB 3.3Å; M19-M22 PolarHBondContact O-N 2.69Å; M19-G23 PolarHBondContact O-N 2.75Å; M19-V24 HydrophobicContact CB-CB 4.02Å; M19-V24 HydrophobicContact CB-CG2 4.14Å; M19-V24 VanDerWaalsContact O-CB 3.22Å; M19-V24 WeakPolarHBondContact O-CB 3.49Å; M19-V24 WeakPolarHBondContact O-CG2 3.49Å; M19-V24 PolarHBondContact O-N 2.78Å; M19-R29 HydrophobicContact CB-CB 4.44Å; M19-R29 HydrophobicContact CB-CG 3.73Å; M19-A32 HydrophobicContact CE-CB 3.38Å; M19-A32 HydrophobicContact SD-CB 3.42Å; M19-A32 WeakPolarHBondContact SD-CB 3.46Å
20E85.3Confident83.4Confident101 Ų10174.6 Ų74.647%0.47237%0.37SS..Hα-helixtrans-57.9-44.9171.8177.2171.997.100110.8E16 K17 F18 M22 G23 R29E16-E20 WeakPolarHBondContact O-CB 3.38Å; E16-E20 PolarHBondContact O-N 2.85Å; K17-E20 WeakPolarHBondContact O-CB 3.48Å; K17-E20 PolarHBondContact O-N 2.82Å; F18-E20 VanDerWaalsContact C-N 3.31Å; F18-E20 PolarHBondContact O-N 3.03Å; E20-M22 VanDerWaalsContact C-N 3.28Å; E20-M22 PolarHBondContact O-N 3.5Å; E20-G23 WeakPolarHBondContact O-CA 3.41Å; E20-G23 PolarHBondContact O-N 2.75Å; E20-R29 IonicContact OE2-CZ 3.61Å; E20-R29 IonicContact OE2-NH1 2.55Å; E20-R29 IonicContact OE2-NH2 3.37Å; E20-R29 PolarHBondContact OE2-NH2 2.8Å
21K85.4Confident82.8Confident112 Ų11275.5 Ų75.549%0.48737%0.374SS..Hα-helixtrans-69.2-28.8179.7-141.752.8164.4173.60113.4K17 F18 M19 G23 Y120 V123K17-K21 PolarHBondContact O-N 2.8Å; F18-K21 PolarHBondContact O-N 2.75Å; F18-K21 VanDerWaalsContact O-N 3.11Å; M19-K21 VanDerWaalsContact C-N 3.27Å; M19-K21 PolarHBondContact O-N 2.91Å; K21-G23 PolarHBondContact O-N 2.79Å; K21-Y120 HydrophobicContact CB-CD1 4.4Å; K21-V123 HydrophobicContact CB-CG2 4.17Å; K21-V123 HydrophobicContact CG-CG2 3.88Å
22M79.6Confident82.2Confident19 Ų1971.1 Ų71.19%0.09436%0.36CS..THydrogen-bonded Turntrans-68.9-10.5168.8-76.7-165.2161.700114.5F18 M19 E20 V24 R96 L103 Y120F18-M22 HydrophobicContact CD1-SD 4.38Å; F18-M22 HydrophobicContact CE1-CE 3.65Å; F18-M22 HydrophobicContact CE1-CG 4.32Å; F18-M22 HydrophobicContact CE1-SD 3.57Å; F18-M22 VanDerWaalsContact CE1-SD 3.57Å; F18-M22 HydrophobicContact CE2-CE 3.71Å; F18-M22 HydrophobicContact CE2-SD 4.49Å; F18-M22 HydrophobicContact CZ-CE 3.06Å; F18-M22 HydrophobicContact CZ-CG 4.33Å; F18-M22 HydrophobicContact CZ-SD 3.68Å; F18-M22 PolarHBondContact O-N 2.94Å; M19-M22 WeakPolarHBondContact O-CB 3.3Å; M19-M22 PolarHBondContact O-N 2.69Å; E20-M22 VanDerWaalsContact C-N 3.28Å; E20-M22 PolarHBondContact O-N 3.5Å; M22-V24 HydrophobicContact CB-CG2 4.17Å; M22-R96 PolarHBondContact O-NH1 3.05Å; M22-R96 PolarHBondContact O-NH2 2.77Å; M22-R96 VanDerWaalsContact O-NH2 3.11Å; M22-L103 HydrophobicContact CE-CD1 3.48Å; M22-L103 VanDerWaalsContact CE-CD1 3.48Å; M22-L103 HydrophobicContact CE-CD2 3.49Å; M22-L103 VanDerWaalsContact CE-CD2 3.49Å; M22-L103 HydrophobicContact CE-CG 4.02Å; M22-Y120 HydrophobicContact CE-CG 4.42Å; M22-Y120 HydrophobicContact CG-CD1 4.05Å; M22-Y120 HydrophobicContact CG-CE1 4.21Å; M22-Y120 HydrophobicContact CG-CG 4.5Å
23G78.8Confident81.6Confident60 Ų6069.7 Ų69.762%0.61935%0.354SS*.THydrogen-bonded Turntrans90.811.3-176.900000113.9M19 E20 K21 N25M19-G23 PolarHBondContact O-N 2.75Å; E20-G23 WeakPolarHBondContact O-CA 3.41Å; E20-G23 PolarHBondContact O-N 2.75Å; K21-G23 PolarHBondContact O-N 2.79Å; G23-N25 PolarHBondContact O-N 2.72Å
24V80.5Confident81Confident16 Ų1671.8 Ų71.810%0.09736%0.363CS..  trans-72.5130.5-179.8-177.80000110M19 M22 K28 R29M19-V24 HydrophobicContact CB-CB 4.02Å; M19-V24 HydrophobicContact CB-CG2 4.14Å; M19-V24 VanDerWaalsContact O-CB 3.22Å; M19-V24 WeakPolarHBondContact O-CB 3.49Å; M19-V24 WeakPolarHBondContact O-CG2 3.49Å; M19-V24 PolarHBondContact O-N 2.78Å; M22-V24 HydrophobicContact CB-CG2 4.17Å; V24-K28 HydrophobicContact CG1-CB 3.52Å; V24-K28 HydrophobicContact CG1-CD 4.39Å; V24-R29 HydrophobicContact CB-CG 3.95Å; V24-R29 HydrophobicContact CG1-CG 3.76Å; V24-R29 VanDerWaalsContact O-CD 3.3Å; V24-R29 WeakPolarHBondContact O-CD 3.49Å; V24-R29 WeakPolarHBondContact O-CG 3.48Å; V24-R29 PolarHBondContact O-NH1 2.97Å
25N81.3Confident80.5Confident112 Ų11268.9 Ų68.960%0.59935%0.348SS*.  trans-64.8146.6-178.3-161.53.7000112.5G23 V27 K28 R29G23-N25 PolarHBondContact O-N 2.72Å; N25-V27 VanDerWaalsContact C-N 3.28Å; N25-V27 PolarHBondContact O-N 2.8Å; N25-V27 VanDerWaalsContact O-N 3.11Å; N25-K28 WeakPolarHBondContact O-CA 3.18Å; N25-K28 WeakPolarHBondContact O-CB 3.22Å; N25-K28 PolarHBondContact O-N 2.8Å; N25-R29 WeakPolarHBondContact O-CG 3.17Å; N25-R29 PolarHBondContact O-N 3.32Å
26M79.1Confident80.4Confident111 Ų11171.8 Ų71.855%0.54737%0.365SS..Hα-helixtrans-52.8-40.1-170.2-172.2-178.2-178.200114R29 K30M26-R29 PolarHBondContact O-N 2.74Å; M26-K30 PolarHBondContact O-N 3.39Å; M26-K30 VanDerWaalsContact O-N 3.16Å
27V79Confident80.5Confident100 Ų10067.7 Ų67.761%0.60635%0.346SS*.Hα-helixtrans-63.6-45177.4179.60000111.3N25 R29 K30 L31N25-V27 VanDerWaalsContact C-N 3.28Å; N25-V27 PolarHBondContact O-N 2.8Å; N25-V27 VanDerWaalsContact O-N 3.11Å; V27-R29 VanDerWaalsContact C-N 3.31Å; V27-R29 PolarHBondContact O-N 2.78Å; V27-K30 PolarHBondContact O-N 2.89Å; V27-L31 HydrophobicContact CG1-CD1 4.12Å; V27-L31 WeakPolarHBondContact O-CG 3.45Å; V27-L31 PolarHBondContact O-N 3.34Å
28K76.4Confident80.6Confident95 Ų9565.6 Ų65.641%0.41334%0.337SS..Hα-helixtrans-64.4-36177-67.5-170.6-178.1-170.90111.4V24 N25 A32 D75V24-K28 HydrophobicContact CG1-CB 3.52Å; V24-K28 HydrophobicContact CG1-CD 4.39Å; N25-K28 WeakPolarHBondContact O-CA 3.18Å; N25-K28 WeakPolarHBondContact O-CB 3.22Å; N25-K28 PolarHBondContact O-N 2.8Å; K28-A32 WeakPolarHBondContact O-CB 3.49Å; K28-A32 PolarHBondContact O-N 3.24Å; K28-D75 IonicContact NZ-OD2 2.67Å; K28-D75 PolarHBondContact NZ-OD2 2.74Å
29R81.3Confident80.8Confident35 Ų3565.3 Ų65.313%0.13234%0.336CS..Hα-helixtrans-64.6-45.4178.2-59-167.7-59.6-124.519.3113.1E16 M19 E20 V24 N25 M26 V27 L31 A32 S33E16-R29 WeakPolarHBondContact O-CD 3.39Å; M19-R29 HydrophobicContact CB-CB 4.44Å; M19-R29 HydrophobicContact CB-CG 3.73Å; E20-R29 IonicContact OE2-CZ 3.61Å; E20-R29 IonicContact OE2-NH1 2.55Å; E20-R29 IonicContact OE2-NH2 3.37Å; E20-R29 PolarHBondContact OE2-NH2 2.8Å; V24-R29 HydrophobicContact CB-CG 3.95Å; V24-R29 HydrophobicContact CG1-CG 3.76Å; V24-R29 VanDerWaalsContact O-CD 3.3Å; V24-R29 WeakPolarHBondContact O-CD 3.49Å; V24-R29 WeakPolarHBondContact O-CG 3.48Å; V24-R29 PolarHBondContact O-NH1 2.97Å; N25-R29 WeakPolarHBondContact O-CG 3.17Å; N25-R29 PolarHBondContact O-N 3.32Å; M26-R29 PolarHBondContact O-N 2.74Å; V27-R29 VanDerWaalsContact C-N 3.31Å; V27-R29 PolarHBondContact O-N 2.78Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.04Å; R29-A32 PolarHBondContact O-N 3.25Å; R29-S33 PolarHBondContact O-N 2.86Å; R29-S33 PolarHBondContact O-OG 2.94Å
30K78.5Confident81.1Confident121 Ų12165.6 Ų65.653%0.52634%0.339SS..Hα-helixtrans-62.4-44.3178.1-82.2-165.5173.8-172.50112M26 V27 S33 H34M26-K30 PolarHBondContact O-N 3.39Å; M26-K30 VanDerWaalsContact O-N 3.16Å; V27-K30 PolarHBondContact O-N 2.89Å; K30-S33 PolarHBondContact O-N 3.31Å; K30-H34 PolarHBondContact O-N 3.1Å; K30-H34 PolarHBondContact O-ND1 3.01Å
31L76.5Confident81.4Confident91 Ų9160.9 Ų60.948%0.47632%0.317SS..Hα-helixtrans-67.9-42.6178.1-69.5171000111.2V27 R29 S33 H34 D35 F56V27-L31 HydrophobicContact CG1-CD1 4.12Å; V27-L31 WeakPolarHBondContact O-CG 3.45Å; V27-L31 PolarHBondContact O-N 3.34Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.04Å; L31-S33 PolarHBondContact O-N 2.75Å; L31-H34 CarbonylContact O-C 3.3Å; L31-H34 VanDerWaalsContact O-C 3.3Å; L31-H34 WeakPolarHBondContact O-CA 3.44Å; L31-H34 PolarHBondContact O-N 2.89Å; L31-D35 PolarHBondContact O-N 2.78Å; L31-F56 HydrophobicContact CB-CE1 4.42Å; L31-F56 HydrophobicContact CB-CE2 3.48Å; L31-F56 VanDerWaalsContact CB-CE2 3.48Å; L31-F56 HydrophobicContact CB-CZ 3.21Å; L31-F56 HydrophobicContact CD1-CE1 4.19Å; L31-F56 HydrophobicContact CD1-CZ 3.65Å; L31-F56 HydrophobicContact CG-CZ 4.04Å
32A76.4Confident81.6Confident11 Ų1160.4 Ų60.49%0.09132%0.317CS..Hα-helixtrans-63.8-27.9178.800000113Y15 M19 K28 R29 H34 D35Y15-A32 HydrophobicContact CE1-CB 4.34Å; M19-A32 HydrophobicContact CE-CB 3.38Å; M19-A32 HydrophobicContact SD-CB 3.42Å; M19-A32 WeakPolarHBondContact SD-CB 3.46Å; K28-A32 WeakPolarHBondContact O-CB 3.49Å; K28-A32 PolarHBondContact O-N 3.24Å; R29-A32 PolarHBondContact O-N 3.25Å; A32-H34 VanDerWaalsContact C-N 3.29Å; A32-D35 VanDerWaalsContact O-CB 3.31Å; A32-D35 WeakPolarHBondContact O-CB 3.48Å
33S75.1Confident81.9Confident18 Ų1861.5 Ų61.513%0.12632%0.321CS..Hα-helixtrans-71.8-24173.2-59.60000112.7N12 E16 R29 K30 L31N12-S33 PolarHBondContact ND2-O 2.82Å; E16-S33 WeakPolarHBondContact CG-OG 3.3Å; R29-S33 PolarHBondContact O-N 2.86Å; R29-S33 PolarHBondContact O-OG 2.94Å; K30-S33 PolarHBondContact O-N 3.31Å; L31-S33 PolarHBondContact O-N 2.75Å
34H76.9Confident82.3Confident147 Ų14763.8 Ų63.868%0.68132%0.324SS*.THydrogen-bonded Turntrans-112.722.6179.2-65.390.6000113.1K30 L31 A32 N36K30-H34 PolarHBondContact O-N 3.1Å; K30-H34 PolarHBondContact O-ND1 3.01Å; L31-H34 CarbonylContact O-C 3.3Å; L31-H34 VanDerWaalsContact O-C 3.3Å; L31-H34 WeakPolarHBondContact O-CA 3.44Å; L31-H34 PolarHBondContact O-N 2.89Å; A32-H34 VanDerWaalsContact C-N 3.29Å; H34-N36 PolarHBondContact O-N 2.75Å; H34-N36 VanDerWaalsContact O-N 3.16Å; H34-N36 PolarHBondContact O-ND2 2.76Å
35D76.1Confident82.6Confident11 Ų1165.5 Ų65.56%0.05935%0.345CS..SBendtrans-77.5-1.7-168.7174.7-119.4000114.2L31 A32 L37 S54 T55 F56L31-D35 PolarHBondContact O-N 2.78Å; A32-D35 VanDerWaalsContact O-CB 3.31Å; A32-D35 WeakPolarHBondContact O-CB 3.48Å; D35-L37 PolarHBondContact O-N 2.9Å; D35-L37 VanDerWaalsContact O-N 3.1Å; D35-S54 WeakPolarHBondContact OD1-CB 3.38Å; D35-S54 VanDerWaalsContact OD2-CB 3.25Å; D35-S54 WeakPolarHBondContact OD2-CB 3.47Å; D35-T55 PolarHBondContact O-N 3.1Å; D35-T55 PolarHBondContact O-OG1 2.89Å; D35-T55 WeakPolarHBondContact OD2-CB 3.41Å; D35-T55 PolarHBondContact OD2-N 3.4Å; D35-F56 HydrophobicContact CB-CD2 4.26Å; D35-F56 WeakPolarHBondContact OD2-CD2 3.44Å; D35-F56 PolarHBondContact OD2-N 2.83Å
36N82.3Confident82.8Confident90 Ų9065.5 Ų65.548%0.48135%0.345SS..  trans51.433.6-179.5-73-77.5000113.1H34 K38H34-N36 PolarHBondContact O-N 2.75Å; H34-N36 VanDerWaalsContact O-N 3.16Å; H34-N36 PolarHBondContact O-ND2 2.76Å; N36-K38 PolarHBondContact O-N 3.14Å
37L85.1Confident83.3Confident10 Ų1064.1 Ų64.15%0.05234%0.34CS..  trans-50.9123.7-177.3-178.766.2000111.3V9 D35 I39 E52 S53 F129V9-L37 HydrophobicContact CB-CB 4.48Å; V9-L37 HydrophobicContact CG1-CB 4.25Å; V9-L37 PolarHBondContact N-O 3.26Å; D35-L37 PolarHBondContact O-N 2.9Å; D35-L37 VanDerWaalsContact O-N 3.1Å; L37-I39 HydrophobicContact CD1-CG1 4.41Å; L37-I39 HydrophobicContact CD2-CD1 3.91Å; L37-I39 HydrophobicContact CD2-CG1 3.99Å; L37-I39 HydrophobicContact CG-CD1 4.35Å; L37-I39 HydrophobicContact CG-CG1 3.88Å; L37-E52 HydrophobicContact CD1-CB 4.03Å; L37-S53 WeakPolarHBondContact CA-O 3.22Å; L37-F129 HydrophobicContact CB-CE1 4.48Å; L37-F129 HydrophobicContact CD2-CE1 3.95Å; L37-F129 HydrophobicContact CD2-CZ 4.11Å; L37-F129 HydrophobicContact CG-CE1 4.23Å
38K89.3Confident83.8Confident87 Ų8759.4 Ų59.438%0.37831%0.311SS..EExtended strand (participates in β ladder)trans-114.5119.3175.5-173.7177-176.5177.30108T6 W7 N36 S53T6-K38 HydrophobicContact CG2-CD 3.96Å; T6-K38 HydrophobicContact CG2-CG 3.68Å; W7-K38 CarbonylContact O-C 3.56Å; W7-K38 WeakPolarHBondContact O-CA 3.37Å; N36-K38 PolarHBondContact O-N 3.14Å; K38-S53 PolarHBondContact N-O 3.18Å; K38-S53 PolarHBondContact O-N 2.69Å
39I89.8Confident84.4Confident0 Ų056.8 Ų56.80%030%0.3CS..EExtended strand (participates in β ladder)trans-110.6114.1-178.6-51.5-176.4000107.7T6 W7 L37 I41 V50 K51 E52 F129T6-I39 CarbonylContact C-O 3.57Å; W7-I39 HydrophobicContact CB-CB 4.44Å; W7-I39 PolarHBondContact N-O 2.78Å; W7-I39 PolarHBondContact O-N 2.85Å; L37-I39 HydrophobicContact CD1-CG1 4.41Å; L37-I39 HydrophobicContact CD2-CD1 3.91Å; L37-I39 HydrophobicContact CD2-CG1 3.99Å; L37-I39 HydrophobicContact CG-CD1 4.35Å; L37-I39 HydrophobicContact CG-CG1 3.88Å; I39-I41 HydrophobicContact CG2-CD1 4.2Å; I39-I41 HydrophobicContact CG2-CG1 3.73Å; I39-V50 HydrophobicContact CG2-CG1 3.58Å; I39-K51 CarbonylContact C-O 3.53Å; I39-K51 VanDerWaalsContact CA-O 3.3Å; I39-K51 WeakPolarHBondContact CA-O 3.36Å; I39-E52 HydrophobicContact CG1-CG 4.36Å; I39-E52 HydrophobicContact CG2-CG 4.41Å; I39-F129 HydrophobicContact CD1-CD1 4.13Å; I39-F129 HydrophobicContact CD1-CE1 3.47Å; I39-F129 VanDerWaalsContact CD1-CE1 3.47Å; I39-F129 HydrophobicContact CD1-CE2 4.21Å; I39-F129 HydrophobicContact CD1-CZ 3.52Å; I39-F129 HydrophobicContact CG1-CD1 4.35Å; I39-F129 HydrophobicContact CG1-CE1 3.88Å; I39-F129 HydrophobicContact CG1-CZ 4.43Å
40T90.8Very high84.8Confident31 Ų3155.2 Ų55.219%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-98.6120.7168.9-59.50000108G5 T6 E42 V50 K51G5-T40 WeakPolarHBondContact O-CA 3.44Å; T6-T40 PolarHBondContact OG1-OG1 3.37Å; T40-E42 HydrophobicContact CG2-CG 4.32Å; T40-V50 CarbonylContact O-C 3.58Å; T40-V50 WeakPolarHBondContact O-CA 3.33Å; T40-K51 PolarHBondContact N-O 3.38Å; T40-K51 PolarHBondContact O-N 2.84Å
41I90.4Very high85.3Confident1 Ų153.1 Ų53.11%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-109.9128179.3-55.1176.2000107.4F3 N4 G5 I39 F48 H49 V50 L114F3-I41 HydrophobicContact CB-CD1 4.38Å; F3-I41 HydrophobicContact CB-CG2 4.03Å; F3-I41 WeakPolarHBondContact O-CB 3.25Å; N4-I41 VanDerWaalsContact CA-O 3.3Å; N4-I41 WeakPolarHBondContact CA-O 3.35Å; G5-I41 PolarHBondContact N-O 2.74Å; G5-I41 PolarHBondContact O-N 3.05Å; I39-I41 HydrophobicContact CG2-CD1 4.2Å; I39-I41 HydrophobicContact CG2-CG1 3.73Å; I41-F48 HydrophobicContact CG2-CD1 3.96Å; I41-F48 HydrophobicContact CG2-CE1 4.39Å; I41-H49 CarbonylContact C-O 3.52Å; I41-H49 WeakPolarHBondContact CA-O 3.46Å; I41-V50 HydrophobicContact CG1-CG1 4.41Å; I41-V50 HydrophobicContact CG1-CG2 4.26Å; I41-V50 HydrophobicContact CG2-CG2 4.26Å; I41-L114 HydrophobicContact CD1-CD2 4.16Å
42E89.9Confident85.8Confident102 Ų10250.3 Ų50.348%0.47727%0.27SS..EExtended strand (participates in β ladder)trans-128110.7175.4-64179.995.300108.4T40 H49T40-E42 HydrophobicContact CG2-CG 4.32Å; E42-H49 HydrophobicContact CB-CB 4.18Å; E42-H49 PolarHBondContact N-O 2.79Å; E42-H49 PolarHBondContact O-N 2.83Å; E42-H49 IonicContact OE2-CD2 2.74Å
43Q86.3Confident86.3Confident42 Ų4251.6 Ų51.620%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-96.6124.9176.8-177.4-174.83.500110.1N4 G45 N47 F48N4-Q43 WeakPolarHBondContact OD1-CB 3.14Å; N4-Q43 PolarHBondContact OD1-N 3.36Å; Q43-G45 WeakPolarHBondContact CG-O 3.35Å; Q43-G45 PolarHBondContact NE2-O 2.79Å; Q43-N47 WeakPolarHBondContact CA-O 3.49Å; Q43-F48 HydrophobicContact CB-CD1 4.19Å; Q43-F48 HydrophobicContact CB-CE1 3.93Å; Q43-F48 HydrophobicContact CB-CE2 4.43Å; Q43-F48 HydrophobicContact CB-CZ 4.07Å; Q43-F48 HydrophobicContact CG-CD1 4.38Å; Q43-F48 HydrophobicContact CG-CD2 4.15Å; Q43-F48 HydrophobicContact CG-CE1 3.92Å; Q43-F48 HydrophobicContact CG-CE2 3.62Å; Q43-F48 HydrophobicContact CG-CG 4.49Å; Q43-F48 HydrophobicContact CG-CZ 3.52Å
44T87.3Confident86.6Confident108 Ų10851.8 Ų51.866%0.66328%0.279SS*.EExtended strand (participates in β ladder)trans-122.590.3174.3-55.80000108.9D46 N47T44-D46 PolarHBondContact O-N 2.87Å; T44-N47 PolarHBondContact N-O 3.09Å; T44-N47 PolarHBondContact O-N 2.97Å
45G86.3Confident86.5Confident53 Ų5349.9 Ų49.955%0.54628%0.278SS..THydrogen-bonded Turntrans63-118.4-172.200000111.1Q43Q43-G45 WeakPolarHBondContact CG-O 3.35Å; Q43-G45 PolarHBondContact NE2-O 2.79Å
46D86.6Confident86.1Confident111 Ų11154.5 Ų54.559%0.59430%0.298SS*.THydrogen-bonded Turntrans-87.8-8.1176.4-54.6-56.3000113.5T44 T64 L65T44-D46 PolarHBondContact O-N 2.87Å; D46-T64 HydrophobicContact CB-CG2 4.18Å; D46-T64 WeakPolarHBondContact O-CA 3.36Å; D46-L65 PolarHBondContact O-N 2.7Å
47N88.8Confident85.5Confident83 Ų8353.6 Ų53.644%0.44429%0.288SS..EExtended strand (participates in β ladder)trans-91.2132.1177.7-68.3-67.4000110.7Q43 T44 T64Q43-N47 WeakPolarHBondContact CA-O 3.49Å; T44-N47 PolarHBondContact N-O 3.09Å; T44-N47 PolarHBondContact O-N 2.97Å; N47-T64 PolarHBondContact OD1-OG1 2.78Å
48F89.1Confident85.3Confident1 Ų158 Ų580%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-115.2124.1174.3-79.4-107.1000109.1I41 Q43 N62 F63 L65 M85 L90I41-F48 HydrophobicContact CG2-CD1 3.96Å; I41-F48 HydrophobicContact CG2-CE1 4.39Å; Q43-F48 HydrophobicContact CB-CD1 4.19Å; Q43-F48 HydrophobicContact CB-CE1 3.93Å; Q43-F48 HydrophobicContact CB-CE2 4.43Å; Q43-F48 HydrophobicContact CB-CZ 4.07Å; Q43-F48 HydrophobicContact CG-CD1 4.38Å; Q43-F48 HydrophobicContact CG-CD2 4.15Å; Q43-F48 HydrophobicContact CG-CE1 3.92Å; Q43-F48 HydrophobicContact CG-CE2 3.62Å; Q43-F48 HydrophobicContact CG-CG 4.49Å; Q43-F48 HydrophobicContact CG-CZ 3.52Å; F48-N62 WeakPolarHBondContact O-CA 3.34Å; F48-F63 HydrophobicContact CB-CD1 4.24Å; F48-F63 HydrophobicContact CB-CD2 3.92Å; F48-F63 HydrophobicContact CB-CE1 3.79Å; F48-F63 HydrophobicContact CB-CE2 3.41Å; F48-F63 VanDerWaalsContact CB-CE2 3.41Å; F48-F63 HydrophobicContact CB-CG 4.32Å; F48-F63 HydrophobicContact CB-CZ 3.34Å; F48-F63 HydrophobicContact CD1-CE2 4.46Å; F48-F63 HydrophobicContact CD1-CZ 4.21Å; F48-F63 HydrophobicContact CD2-CE2 4.07Å; F48-F63 AromaticContact CG-CE2 3.74Å; F48-F63 HydrophobicContact CG-CE2 3.74Å; F48-F63 AromaticContact CG-CZ 3.82Å; F48-F63 HydrophobicContact CG-CZ 3.82Å; F48-F63 PolarHBondContact N-O 3.11Å; F48-F63 PolarHBondContact O-N 2.77Å; F48-L65 HydrophobicContact CD2-CD1 4.25Å; F48-L65 HydrophobicContact CD2-CD2 4.03Å; F48-L65 HydrophobicContact CD2-CG 3.82Å; F48-L65 HydrophobicContact CE2-CD1 3.49Å; F48-L65 VanDerWaalsContact CE2-CD1 3.49Å; F48-L65 HydrophobicContact CE2-CD2 3.82Å; F48-L65 HydrophobicContact CE2-CG 3.56Å; F48-L65 HydrophobicContact CZ-CD1 4.31Å; F48-M85 HydrophobicContact CZ-SD 4.41Å; F48-L90 HydrophobicContact CZ-CD1 4.48Å
49H89.9Confident85.1Confident40 Ų4055.6 Ų55.619%0.18530%0.302CS..EExtended strand (participates in β ladder)trans-101.7113.5167.9-173.283.1000108.1I41 E42 E60 N62I41-H49 CarbonylContact C-O 3.52Å; I41-H49 WeakPolarHBondContact CA-O 3.46Å; E42-H49 HydrophobicContact CB-CB 4.18Å; E42-H49 PolarHBondContact N-O 2.79Å; E42-H49 PolarHBondContact O-N 2.83Å; E42-H49 IonicContact OE2-CD2 2.74Å; H49-E60 IonicContact NE2-OE1 2.65Å; H49-N62 VanDerWaalsContact ND1-CG 3.28Å; H49-N62 PolarHBondContact ND1-ND2 3.45Å; H49-N62 PolarHBondContact ND1-OD1 2.88Å
50V89.1Confident84.8Confident1 Ų160.8 Ų60.81%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-116.7112.4-179.5-179.60000108.8I39 T40 I41 E52 I61 F63I39-V50 HydrophobicContact CG2-CG1 3.58Å; T40-V50 CarbonylContact O-C 3.58Å; T40-V50 WeakPolarHBondContact O-CA 3.33Å; I41-V50 HydrophobicContact CG1-CG1 4.41Å; I41-V50 HydrophobicContact CG1-CG2 4.26Å; I41-V50 HydrophobicContact CG2-CG2 4.26Å; V50-E52 HydrophobicContact CG1-CG 4.08Å; V50-I61 HydrophobicContact CB-CB 4.47Å; V50-I61 PolarHBondContact N-O 2.79Å; V50-I61 PolarHBondContact O-N 3.2Å; V50-F63 HydrophobicContact CB-CE1 4.35Å; V50-F63 HydrophobicContact CG2-CE1 3.54Å; V50-F63 HydrophobicContact CG2-CZ 4.12Å
51K89.4Confident84.6Confident77 Ų7760.2 Ų60.234%0.33532%0.322SS..EExtended strand (participates in β ladder)trans-99.2112.7175.7-175.4167.8-166.71500109.6I39 T40 I59 E60I39-K51 CarbonylContact C-O 3.53Å; I39-K51 VanDerWaalsContact CA-O 3.3Å; I39-K51 WeakPolarHBondContact CA-O 3.36Å; T40-K51 PolarHBondContact N-O 3.38Å; T40-K51 PolarHBondContact O-N 2.84Å; K51-I59 WeakPolarHBondContact CA-O 3.3Å; K51-E60 HydrophobicContact CB-CG 4.08Å; K51-E60 HydrophobicContact CD-CG 3.94Å; K51-E60 WeakPolarHBondContact CD-OE1 3.43Å; K51-E60 VanDerWaalsContact CE-OE1 3.25Å; K51-E60 WeakPolarHBondContact CE-OE1 3.25Å; K51-E60 HydrophobicContact CG-CG 3.7Å; K51-E60 IonicContact NZ-OE1 3.89Å; K51-E60 PolarHBondContact NZ-OE1 2.96Å
52E87.9Confident84.5Confident33 Ų3365.5 Ų65.515%0.15435%0.35CS..EExtended strand (participates in β ladder)trans-100.7108.7176.3-65.4-171.8162.200108.4L37 I39 V50 N58 I59 R107L37-E52 HydrophobicContact CD1-CB 4.03Å; I39-E52 HydrophobicContact CG1-CG 4.36Å; I39-E52 HydrophobicContact CG2-CG 4.41Å; V50-E52 HydrophobicContact CG1-CG 4.08Å; E52-N58 WeakPolarHBondContact O-CA 3.4Å; E52-I59 HydrophobicContact CB-CD1 4.32Å; E52-I59 HydrophobicContact CB-CG1 3.86Å; E52-I59 PolarHBondContact N-O 2.81Å; E52-I59 PolarHBondContact O-N 2.94Å; E52-R107 IonicContact OE1-NH2 3.96Å; E52-R107 PolarHBondContact OE1-NH2 3.44Å; E52-R107 VanDerWaalsContact OE1-NH2 3.11Å
53S86.4Confident84.3Confident37 Ų3761 Ų6126%0.25933%0.329SS..EExtended strand (participates in β ladder)trans-106.5118.4174.8-1800000109.6L37 K38 N58L37-S53 WeakPolarHBondContact CA-O 3.22Å; K38-S53 PolarHBondContact N-O 3.18Å; K38-S53 PolarHBondContact O-N 2.69Å; S53-N58 VanDerWaalsContact CA-OD1 3.27Å; S53-N58 WeakPolarHBondContact CA-OD1 3.49Å; S53-N58 WeakPolarHBondContact CB-OD1 3.47Å; S53-N58 PolarHBondContact OG-ND2 3.01Å; S53-N58 PolarHBondContact OG-OD1 2.78Å
54S81.6Confident84.5Confident22 Ų2261.2 Ų61.215%0.15433%0.333CS..  trans-129.3161.1-175.747.50000111D35 F56 R57 N58D35-S54 WeakPolarHBondContact OD1-CB 3.38Å; D35-S54 VanDerWaalsContact OD2-CB 3.25Å; D35-S54 WeakPolarHBondContact OD2-CB 3.47Å; S54-F56 PolarHBondContact O-N 2.7Å; S54-R57 WeakPolarHBondContact CB-O 3.49Å; S54-R57 PolarHBondContact N-O 3.31Å; S54-R57 PolarHBondContact O-N 2.92Å; S54-R57 PolarHBondContact OG-N 3.21Å; S54-R57 VanDerWaalsContact OG-N 3.1Å; S54-R57 PolarHBondContact OG-O 2.77Å; S54-N58 PolarHBondContact N-OD1 2.92Å; S54-N58 PolarHBondContact O-OD1 2.98Å
55T73.2Confident84.5Confident108 Ų10857.7 Ų57.766%0.66331%0.31SS*.SBendtrans-60.6-26.5172.4-48.70000110.7D35D35-T55 PolarHBondContact O-N 3.1Å; D35-T55 PolarHBondContact O-OG1 2.89Å; D35-T55 WeakPolarHBondContact OD2-CB 3.41Å; D35-T55 PolarHBondContact OD2-N 3.4Å
56F67.7Low84.6Confident108 Ų10857.7 Ų57.747%0.47431%0.31SS..SBendtrans-78.5-49173.8-79.7-71.3000115.1L31 D35 S54L31-F56 HydrophobicContact CB-CE1 4.42Å; L31-F56 HydrophobicContact CB-CE2 3.48Å; L31-F56 VanDerWaalsContact CB-CE2 3.48Å; L31-F56 HydrophobicContact CB-CZ 3.21Å; L31-F56 HydrophobicContact CD1-CE1 4.19Å; L31-F56 HydrophobicContact CD1-CZ 3.65Å; L31-F56 HydrophobicContact CG-CZ 4.04Å; D35-F56 HydrophobicContact CB-CD2 4.26Å; D35-F56 WeakPolarHBondContact OD2-CD2 3.44Å; D35-F56 PolarHBondContact OD2-N 2.83Å; S54-F56 PolarHBondContact O-N 2.7Å
57R69.8Low84.7Confident71 Ų7155.9 Ų55.927%0.26830%0.303SS..  trans-158.9155.5-173.765.2179.7-168.3167.82112.6S54 I59 Y71 S72S54-R57 WeakPolarHBondContact CB-O 3.49Å; S54-R57 PolarHBondContact N-O 3.31Å; S54-R57 PolarHBondContact O-N 2.92Å; S54-R57 PolarHBondContact OG-N 3.21Å; S54-R57 VanDerWaalsContact OG-N 3.1Å; S54-R57 PolarHBondContact OG-O 2.77Å; R57-I59 HydrophobicContact CG-CG2 4.18Å; R57-Y71 PolarHBondContact NH2-OH 2.87Å; R57-S72 PolarHBondContact NH2-O 3.35Å
58N82.3Confident84.6Confident103 Ų10357.4 Ų57.455%0.55131%0.312SS*.EExtended strand (participates in β ladder)trans-110.1125.8166.6-73.915.9000108.6E52 S53 S54E52-N58 WeakPolarHBondContact O-CA 3.4Å; S53-N58 VanDerWaalsContact CA-OD1 3.27Å; S53-N58 WeakPolarHBondContact CA-OD1 3.49Å; S53-N58 WeakPolarHBondContact CB-OD1 3.47Å; S53-N58 PolarHBondContact OG-ND2 3.01Å; S53-N58 PolarHBondContact OG-OD1 2.78Å; S54-N58 PolarHBondContact N-OD1 2.92Å; S54-N58 PolarHBondContact O-OD1 2.98Å
59I83.6Confident84.4Confident36 Ų3658.9 Ų58.919%0.18532%0.318CS..EExtended strand (participates in β ladder)trans-134151.6177.658.8166.9000110K51 E52 R57 I61 Y71K51-I59 WeakPolarHBondContact CA-O 3.3Å; E52-I59 HydrophobicContact CB-CD1 4.32Å; E52-I59 HydrophobicContact CB-CG1 3.86Å; E52-I59 PolarHBondContact N-O 2.81Å; E52-I59 PolarHBondContact O-N 2.94Å; R57-I59 HydrophobicContact CG-CG2 4.18Å; I59-I61 HydrophobicContact CD1-CD1 4.03Å; I59-I61 HydrophobicContact CD1-CG1 4.21Å; I59-Y71 HydrophobicContact CD1-CE2 3.75Å; I59-Y71 WeakPolarHBondContact CD1-OH 3Å
60E85.3Confident84.1Confident108 Ų10862.8 Ų62.851%0.50534%0.336SS..EExtended strand (participates in β ladder)trans-121.2123.5176.9-73.2170132.400108.1H49 K51H49-E60 IonicContact NE2-OE1 2.65Å; K51-E60 HydrophobicContact CB-CG 4.08Å; K51-E60 HydrophobicContact CD-CG 3.94Å; K51-E60 WeakPolarHBondContact CD-OE1 3.43Å; K51-E60 VanDerWaalsContact CE-OE1 3.25Å; K51-E60 WeakPolarHBondContact CE-OE1 3.25Å; K51-E60 HydrophobicContact CG-CG 3.7Å; K51-E60 IonicContact NZ-OE1 3.89Å; K51-E60 PolarHBondContact NZ-OE1 2.96Å
61I86.1Confident83.5Confident20 Ų2064.5 Ų64.510%0.10334%0.343CS..EExtended strand (participates in β ladder)trans-114.3120-176.6-52172.7000107V50 I59 F63 F69 Y71V50-I61 HydrophobicContact CB-CB 4.47Å; V50-I61 PolarHBondContact N-O 2.79Å; V50-I61 PolarHBondContact O-N 3.2Å; I59-I61 HydrophobicContact CD1-CD1 4.03Å; I59-I61 HydrophobicContact CD1-CG1 4.21Å; I61-F63 HydrophobicContact CG2-CD1 4.11Å; I61-F69 HydrophobicContact CG2-CE2 3.84Å; I61-F69 HydrophobicContact CG2-CZ 4.44Å; I61-Y71 HydrophobicContact CD1-CD2 4.04Å; I61-Y71 HydrophobicContact CD1-CE2 3.48Å; I61-Y71 VanDerWaalsContact CD1-CE2 3.48Å; I61-Y71 HydrophobicContact CG1-CD2 4.26Å; I61-Y71 HydrophobicContact CG1-CE2 3.87Å
62N87.8Confident82.8Confident111 Ų11163.8 Ų63.859%0.59435%0.347SS*.EExtended strand (participates in β ladder)trans-108.1122.1172.9-69.1-92.6000107.8F48 H49F48-N62 WeakPolarHBondContact O-CA 3.34Å; H49-N62 VanDerWaalsContact ND1-CG 3.28Å; H49-N62 PolarHBondContact ND1-ND2 3.45Å; H49-N62 PolarHBondContact ND1-OD1 2.88Å
63F86.2Confident81.9Confident8 Ų864.3 Ų64.34%0.03535%0.351CS..EExtended strand (participates in β ladder)trans-138.7150.7174.264.6-95.4000110.9F48 V50 I61 L65 F69 W83 L90F48-F63 HydrophobicContact CB-CD1 4.24Å; F48-F63 HydrophobicContact CB-CD2 3.92Å; F48-F63 HydrophobicContact CB-CE1 3.79Å; F48-F63 HydrophobicContact CB-CE2 3.41Å; F48-F63 VanDerWaalsContact CB-CE2 3.41Å; F48-F63 HydrophobicContact CB-CG 4.32Å; F48-F63 HydrophobicContact CB-CZ 3.34Å; F48-F63 HydrophobicContact CD1-CE2 4.46Å; F48-F63 HydrophobicContact CD1-CZ 4.21Å; F48-F63 HydrophobicContact CD2-CE2 4.07Å; F48-F63 AromaticContact CG-CE2 3.74Å; F48-F63 HydrophobicContact CG-CE2 3.74Å; F48-F63 AromaticContact CG-CZ 3.82Å; F48-F63 HydrophobicContact CG-CZ 3.82Å; F48-F63 PolarHBondContact N-O 3.11Å; F48-F63 PolarHBondContact O-N 2.77Å; V50-F63 HydrophobicContact CB-CE1 4.35Å; V50-F63 HydrophobicContact CG2-CE1 3.54Å; V50-F63 HydrophobicContact CG2-CZ 4.12Å; I61-F63 HydrophobicContact CG2-CD1 4.11Å; F63-L65 HydrophobicContact CE2-CD2 4.28Å; F63-F69 HydrophobicContact CB-CD1 3.81Å; F63-F69 HydrophobicContact CB-CD2 4.49Å; F63-F69 HydrophobicContact CB-CE1 3.78Å; F63-F69 HydrophobicContact CB-CE2 4.43Å; F63-F69 HydrophobicContact CB-CG 4.19Å; F63-F69 HydrophobicContact CB-CZ 4.08Å; F63-F69 HydrophobicContact CD1-CZ 4.38Å; F63-F69 HydrophobicContact CG-CE1 4.22Å; F63-F69 HydrophobicContact CG-CZ 4.37Å; F63-W83 AromaticContact CD1-CD1 3.55Å; F63-W83 AromaticContact CD1-NE1 3.76Å; F63-W83 HydrophobicContact CD2-CB 3.61Å; F63-W83 AromaticContact CD2-CD1 3.33Å; F63-W83 AromaticContact CD2-CG 3.72Å; F63-W83 HydrophobicContact CD2-CG 3.72Å; F63-W83 AromaticContact CE1-CD1 3.52Å; F63-W83 HydrophobicContact CE1-CG 4.22Å; F63-W83 AromaticContact CE1-NE1 3.49Å; F63-W83 HydrophobicContact CE2-CB 3.34Å; F63-W83 AromaticContact CE2-CD1 3.31Å; F63-W83 HydrophobicContact CE2-CD2 4.22Å; F63-W83 AromaticContact CE2-CG 3.37Å; F63-W83 HydrophobicContact CE2-CG 3.37Å; F63-W83 AromaticContact CG-CD1 3.45Å; F63-W83 VanDerWaalsContact CG-CD1 3.45Å; F63-W83 HydrophobicContact CG-CG 4.29Å; F63-W83 HydrophobicContact CZ-CB 4.11Å; F63-W83 AromaticContact CZ-CD1 3.4Å; F63-W83 VanDerWaalsContact CZ-CD1 3.4Å; F63-W83 HydrophobicContact CZ-CD2 4.08Å; F63-W83 AromaticContact CZ-CG 3.65Å; F63-W83 HydrophobicContact CZ-CG 3.65Å; F63-W83 AromaticContact CZ-NE1 3.67Å; F63-L90 HydrophobicContact CZ-CD2 4.24Å
64T89.4Confident80.9Confident46 Ų4665.9 Ų65.928%0.28237%0.366SS..EExtended strand (participates in β ladder)trans-102.8137.2173-45.70000108.5D46 N47 G66 V67D46-T64 HydrophobicContact CB-CG2 4.18Å; D46-T64 WeakPolarHBondContact O-CA 3.36Å; N47-T64 PolarHBondContact OD1-OG1 2.78Å; T64-G66 PolarHBondContact O-N 2.91Å; T64-V67 HydrophobicContact CG2-CG2 3.96Å; T64-V67 PolarHBondContact O-N 3.22Å; T64-V67 VanDerWaalsContact O-N 3.1Å
65L89Confident80Confident34 Ų3468.1 Ų68.118%0.17838%0.376CS..THydrogen-bonded Turntrans-58.2133.8176-69.4178.9000110.7D46 F48 F63 V67 W83 M85 L90D46-L65 PolarHBondContact O-N 2.7Å; F48-L65 HydrophobicContact CD2-CD1 4.25Å; F48-L65 HydrophobicContact CD2-CD2 4.03Å; F48-L65 HydrophobicContact CD2-CG 3.82Å; F48-L65 HydrophobicContact CE2-CD1 3.49Å; F48-L65 VanDerWaalsContact CE2-CD1 3.49Å; F48-L65 HydrophobicContact CE2-CD2 3.82Å; F48-L65 HydrophobicContact CE2-CG 3.56Å; F48-L65 HydrophobicContact CZ-CD1 4.31Å; F63-L65 HydrophobicContact CE2-CD2 4.28Å; L65-V67 PolarHBondContact O-N 3.11Å; L65-W83 CarbonylContact C-O 3.45Å; L65-W83 WeakPolarHBondContact CA-O 3.48Å; L65-W83 HydrophobicContact CD2-CB 4.23Å; L65-M85 HydrophobicContact CD1-CB 3.81Å; L65-M85 HydrophobicContact CD1-SD 4.07Å; L65-M85 HydrophobicContact CD2-CB 4.22Å; L65-L90 HydrophobicContact CD2-CD1 3.53Å
66G86.5Confident79.8Confident53 Ų5365.7 Ų65.755%0.54637%0.373SS..THydrogen-bonded Turntrans77.1-1.1-178.200000115T64 W83T64-G66 PolarHBondContact O-N 2.91Å; G66-W83 PolarHBondContact N-O 3.44Å
67V88.8Confident80.1Confident74 Ų7461.3 Ų61.345%0.44836%0.355SS..  trans-103.1128.7179.2-177.20000110.1T64 L65T64-V67 HydrophobicContact CG2-CG2 3.96Å; T64-V67 PolarHBondContact O-N 3.22Å; T64-V67 VanDerWaalsContact O-N 3.1Å; L65-V67 PolarHBondContact O-N 3.11Å
68N86.9Confident80.7Confident115 Ų11562.5 Ų62.562%0.61536%0.364SS*.EExtended strand (participates in β ladder)trans-70.4130172.6-74.879.8000110.6G81N68-G81 CarbonylContact C-O 3.56Å; N68-G81 VanDerWaalsContact CA-O 3.25Å; N68-G81 WeakPolarHBondContact CA-O 3.5Å
69F84.9Confident80.8Confident32 Ų3257.8 Ų57.814%0.1434%0.339CS..EExtended strand (participates in β ladder)trans-131.3161.4175.172.1-75.5000110.4I61 F63 G81 W83 F94I61-F69 HydrophobicContact CG2-CE2 3.84Å; I61-F69 HydrophobicContact CG2-CZ 4.44Å; F63-F69 HydrophobicContact CB-CD1 3.81Å; F63-F69 HydrophobicContact CB-CD2 4.49Å; F63-F69 HydrophobicContact CB-CE1 3.78Å; F63-F69 HydrophobicContact CB-CE2 4.43Å; F63-F69 HydrophobicContact CB-CG 4.19Å; F63-F69 HydrophobicContact CB-CZ 4.08Å; F63-F69 HydrophobicContact CD1-CZ 4.38Å; F63-F69 HydrophobicContact CG-CE1 4.22Å; F63-F69 HydrophobicContact CG-CZ 4.37Å; F69-G81 WeakPolarHBondContact CD1-O 3.21Å; F69-G81 PolarHBondContact N-O 2.88Å; F69-G81 PolarHBondContact O-N 3.18Å; F69-W83 AromaticContact CE1-CD1 3.39Å; F69-W83 HydrophobicContact CE1-CG 4.43Å; F69-W83 AromaticContact CE1-NE1 3.92Å; F69-W83 AromaticContact CZ-CD1 3.58Å; F69-W83 AromaticContact CZ-NE1 3.61Å; F69-F94 AromaticContact CE1-CE1 3.62Å; F69-F94 HydrophobicContact CE1-CE1 3.62Å; F69-F94 AromaticContact CE1-CZ 3.92Å; F69-F94 HydrophobicContact CE1-CZ 3.92Å; F69-F94 HydrophobicContact CE2-CE1 4.19Å; F69-F94 AromaticContact CZ-CE1 3.39Å; F69-F94 HydrophobicContact CZ-CE1 3.39Å; F69-F94 AromaticContact CZ-CZ 3.66Å; F69-F94 HydrophobicContact CZ-CZ 3.66Å
70E83.9Confident81.1Confident121 Ų12157.9 Ų57.957%0.56534%0.343SS*.EExtended strand (participates in β ladder)trans-105.7137.8177.7-58.8-17480.400109.5L79 K97E70-L79 CarbonylContact C-O 3.55Å; E70-L79 WeakPolarHBondContact CA-O 3.25Å; E70-K97 WeakPolarHBondContact OE1-CE 3.44Å; E70-K97 IonicContact OE1-NZ 3.54Å; E70-K97 PolarHBondContact OE1-NZ 2.75Å
71Y76.6Confident81.3Confident37 Ų3752.8 Ų52.815%0.14532%0.319CS..EExtended strand (participates in β ladder)trans-139.7129.3-175.2176.5-117.7000111.2R57 I59 I61 L73 L79R57-Y71 PolarHBondContact NH2-OH 2.87Å; I59-Y71 HydrophobicContact CD1-CE2 3.75Å; I59-Y71 WeakPolarHBondContact CD1-OH 3Å; I61-Y71 HydrophobicContact CD1-CD2 4.04Å; I61-Y71 HydrophobicContact CD1-CE2 3.48Å; I61-Y71 VanDerWaalsContact CD1-CE2 3.48Å; I61-Y71 HydrophobicContact CG1-CD2 4.26Å; I61-Y71 HydrophobicContact CG1-CE2 3.87Å; Y71-L73 HydrophobicContact CD1-CD2 4.34Å; Y71-L73 HydrophobicContact CE1-CD2 3.6Å; Y71-L73 HydrophobicContact CE1-CG 4.27Å; Y71-L79 HydrophobicContact CD1-CD1 3.99Å; Y71-L79 PolarHBondContact N-O 3.05Å; Y71-L79 WeakPolarHBondContact O-CB 3.21Å; Y71-L79 PolarHBondContact O-N 3.32Å
72S74.8Confident81.5Confident62 Ų6252.5 Ų52.543%0.43432%0.319SS..EExtended strand (participates in β ladder)trans-101.7118.9178-48.50000111R57R57-S72 PolarHBondContact NH2-O 3.35Å
73L70.1Confident81.6Confident45 Ų4547.8 Ų47.824%0.23629%0.293CS..  trans-67161.8173.3-71.3172.5000111.4Y71 D75 G76 T77 L79Y71-L73 HydrophobicContact CD1-CD2 4.34Å; Y71-L73 HydrophobicContact CE1-CD2 3.6Å; Y71-L73 HydrophobicContact CE1-CG 4.27Å; L73-D75 PolarHBondContact O-N 2.78Å; L73-D75 VanDerWaalsContact O-N 3.1Å; L73-G76 PolarHBondContact O-N 2.65Å; L73-T77 HydrophobicContact CD1-CG2 4.1Å; L73-T77 PolarHBondContact N-O 3.01Å; L73-L79 HydrophobicContact CD1-CD1 3.68Å; L73-L79 HydrophobicContact CD1-CG 4.16Å; L73-L79 HydrophobicContact CD2-CD1 4.02Å; L73-L79 HydrophobicContact CG-CD1 3.66Å; L73-L79 HydrophobicContact CG-CG 4.27Å
74A63.8Low81.7Confident69 Ų6950 Ų5057%0.5731%0.308SS*.THydrogen-bonded Turntrans-59.8-23.6178.400000113G76A74-G76 VanDerWaalsContact C-N 3.26Å
75D63Low81.6Confident69 Ų6951.1 Ų51.137%0.36931%0.311SS..THydrogen-bonded Turntrans-84.61.2178.3-148.3-121000113K28 L73 T77K28-D75 IonicContact NZ-OD2 2.67Å; K28-D75 PolarHBondContact NZ-OD2 2.74Å; L73-D75 PolarHBondContact O-N 2.78Å; L73-D75 VanDerWaalsContact O-N 3.1Å; D75-T77 VanDerWaalsContact C-N 3.28Å; D75-T77 PolarHBondContact O-N 3.1Å
76G68.4Low81.4Confident58 Ų5854.7 Ų54.760%0.59833%0.326SS*.SBendtrans85.3-5.1-176.800000114.3L73 A74 E78L73-G76 PolarHBondContact O-N 2.65Å; A74-G76 VanDerWaalsContact C-N 3.26Å; G76-E78 PolarHBondContact O-N 2.69Å
77T74.7Confident81.3Confident16 Ų1655 Ų5510%0.09833%0.33CS..  trans-65.1121.7174-65.10000110.6L73 D75 L79 R96L73-T77 HydrophobicContact CD1-CG2 4.1Å; L73-T77 PolarHBondContact N-O 3.01Å; D75-T77 VanDerWaalsContact C-N 3.28Å; D75-T77 PolarHBondContact O-N 3.1Å; T77-L79 HydrophobicContact CG2-CD2 4.41Å; T77-R96 HydrophobicContact CG2-CG 4.13Å; T77-R96 VanDerWaalsContact CG2-NE 3.26Å; T77-R96 PolarHBondContact OG1-NH2 2.95Å
78E82.3Confident81Confident96 Ų9656.9 Ų56.945%0.44934%0.337SS..EExtended strand (participates in β ladder)trans-84.4132.6171.3-63.5-177.7102.200111.5G76 K97G76-E78 PolarHBondContact O-N 2.69Å; E78-K97 HydrophobicContact CB-CB 4.2Å; E78-K97 HydrophobicContact CB-CD 4.33Å; E78-K97 PolarHBondContact O-N 2.84Å
79L85.6Confident81Confident4 Ų453.2 Ų53.22%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-118138.1177-63.8172.9000108.7E70 Y71 L73 T77 F94 T95 R96 L103E70-L79 CarbonylContact C-O 3.55Å; E70-L79 WeakPolarHBondContact CA-O 3.25Å; Y71-L79 HydrophobicContact CD1-CD1 3.99Å; Y71-L79 PolarHBondContact N-O 3.05Å; Y71-L79 WeakPolarHBondContact O-CB 3.21Å; Y71-L79 PolarHBondContact O-N 3.32Å; L73-L79 HydrophobicContact CD1-CD1 3.68Å; L73-L79 HydrophobicContact CD1-CG 4.16Å; L73-L79 HydrophobicContact CD2-CD1 4.02Å; L73-L79 HydrophobicContact CG-CD1 3.66Å; L73-L79 HydrophobicContact CG-CG 4.27Å; T77-L79 HydrophobicContact CG2-CD2 4.41Å; L79-F94 HydrophobicContact CB-CB 4.42Å; L79-F94 HydrophobicContact CB-CD1 4.37Å; L79-F94 HydrophobicContact CD2-CB 4.42Å; L79-T95 WeakPolarHBondContact CA-O 3.05Å; L79-R96 HydrophobicContact CD2-CB 4.18Å; L79-R96 HydrophobicContact CD2-CG 3.31Å; L79-L103 HydrophobicContact CD1-CD2 4.16Å; L79-L103 HydrophobicContact CD2-CD2 4.4Å
80S88.8Confident81.2Confident38 Ų3851.7 Ų51.727%0.26631%0.312SS..EExtended strand (participates in β ladder)trans-119.3124.5171.3165.10000108.2F94 T95S80-F94 CarbonylContact O-C 3.53Å; S80-T95 PolarHBondContact N-O 3.5Å; S80-T95 PolarHBondContact O-N 3.16Å
81G89.9Confident81.5Confident1 Ų148.8 Ų48.81%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-168.4175.9-175.500000114N68 F69 V93N68-G81 CarbonylContact C-O 3.56Å; N68-G81 VanDerWaalsContact CA-O 3.25Å; N68-G81 WeakPolarHBondContact CA-O 3.5Å; F69-G81 WeakPolarHBondContact CD1-O 3.21Å; F69-G81 PolarHBondContact N-O 2.88Å; F69-G81 PolarHBondContact O-N 3.18Å; G81-V93 CarbonylContact C-O 3.55Å; G81-V93 WeakPolarHBondContact CA-O 3.35Å
82A89.8Confident82.2Confident13 Ų1347 Ų4711%0.10729%0.291CS..EExtended strand (participates in β ladder)trans-131.3147.5175.500000109.6G92 V93A82-G92 WeakPolarHBondContact O-CA 3.25Å; A82-V93 PolarHBondContact N-O 3.47Å; A82-V93 PolarHBondContact O-N 3.48Å
83W90Very high82.9Confident13 Ų1346.2 Ų46.25%0.04928%0.283CS..EExtended strand (participates in β ladder)trans-95.1133.1166.4-73.2103.8000109.4F63 L65 G66 F69 L90 K91 G92 F94 T105 R107F63-W83 AromaticContact CD1-CD1 3.55Å; F63-W83 AromaticContact CD1-NE1 3.76Å; F63-W83 HydrophobicContact CD2-CB 3.61Å; F63-W83 AromaticContact CD2-CD1 3.33Å; F63-W83 AromaticContact CD2-CG 3.72Å; F63-W83 HydrophobicContact CD2-CG 3.72Å; F63-W83 AromaticContact CE1-CD1 3.52Å; F63-W83 HydrophobicContact CE1-CG 4.22Å; F63-W83 AromaticContact CE1-NE1 3.49Å; F63-W83 HydrophobicContact CE2-CB 3.34Å; F63-W83 AromaticContact CE2-CD1 3.31Å; F63-W83 HydrophobicContact CE2-CD2 4.22Å; F63-W83 AromaticContact CE2-CG 3.37Å; F63-W83 HydrophobicContact CE2-CG 3.37Å; F63-W83 AromaticContact CG-CD1 3.45Å; F63-W83 VanDerWaalsContact CG-CD1 3.45Å; F63-W83 HydrophobicContact CG-CG 4.29Å; F63-W83 HydrophobicContact CZ-CB 4.11Å; F63-W83 AromaticContact CZ-CD1 3.4Å; F63-W83 VanDerWaalsContact CZ-CD1 3.4Å; F63-W83 HydrophobicContact CZ-CD2 4.08Å; F63-W83 AromaticContact CZ-CG 3.65Å; F63-W83 HydrophobicContact CZ-CG 3.65Å; F63-W83 AromaticContact CZ-NE1 3.67Å; L65-W83 CarbonylContact C-O 3.45Å; L65-W83 WeakPolarHBondContact CA-O 3.48Å; L65-W83 HydrophobicContact CD2-CB 4.23Å; G66-W83 PolarHBondContact N-O 3.44Å; F69-W83 AromaticContact CE1-CD1 3.39Å; F69-W83 HydrophobicContact CE1-CG 4.43Å; F69-W83 AromaticContact CE1-NE1 3.92Å; F69-W83 AromaticContact CZ-CD1 3.58Å; F69-W83 AromaticContact CZ-NE1 3.61Å; W83-L90 HydrophobicContact CB-CD1 4.33Å; W83-L90 HydrophobicContact CD2-CD2 4.31Å; W83-L90 HydrophobicContact CD2-CG 4.31Å; W83-L90 HydrophobicContact CE3-CD1 4.21Å; W83-L90 HydrophobicContact CE3-CD2 3.82Å; W83-L90 HydrophobicContact CE3-CG 3.53Å; W83-L90 HydrophobicContact CZ3-CD2 3.97Å; W83-L90 HydrophobicContact CZ3-CG 3.89Å; W83-K91 CarbonylContact C-O 3.48Å; W83-K91 WeakPolarHBondContact CA-O 3.3Å; W83-K91 VanDerWaalsContact CE3-C 3.43Å; W83-G92 VanDerWaalsContact CZ3-N 3.31Å; W83-F94 AromaticContact CD1-CZ 3.88Å; W83-F94 HydrophobicContact CD2-CE2 4.39Å; W83-F94 HydrophobicContact CD2-CZ 4.26Å; W83-F94 AromaticContact CE2-CE2 3.85Å; W83-F94 AromaticContact CE2-CZ 3.64Å; W83-F94 HydrophobicContact CG-CZ 4.4Å; W83-F94 AromaticContact CZ2-CE2 3.9Å; W83-F94 HydrophobicContact CZ2-CE2 3.9Å; W83-F94 HydrophobicContact CZ2-CZ 4.06Å; W83-F94 AromaticContact NE1-CZ 3.42Å; W83-T105 HydrophobicContact CH2-CG2 3.26Å; W83-T105 HydrophobicContact CZ2-CG2 3.77Å; W83-T105 HydrophobicContact CZ3-CG2 3.73Å; W83-R107 HydrophobicContact CH2-CG 4.32Å; W83-R107 HydrophobicContact CZ3-CG 4.48Å
84T89.4Confident83.8Confident54 Ų5444.6 Ų44.633%0.33127%0.274SS..EExtended strand (participates in β ladder)trans-121.9150.2172.758.10000109.3K91T84-K91 PolarHBondContact N-O 3.17Å; T84-K91 PolarHBondContact O-N 2.83Å; T84-K91 VanDerWaalsContact O-O 3.1Å; T84-K91 PolarHBondContact OG1-O 3.46Å
85M87.1Confident85Confident70 Ų7043.9 Ų43.935%0.34526%0.263SS..EExtended strand (participates in β ladder)trans-107115177-166.1164.7-178.600108.1F3 F48 L65 G87F3-M85 HydrophobicContact CE2-CE 4.11Å; F48-M85 HydrophobicContact CZ-SD 4.41Å; L65-M85 HydrophobicContact CD1-CB 3.81Å; L65-M85 HydrophobicContact CD1-SD 4.07Å; L65-M85 HydrophobicContact CD2-CB 4.22Å; M85-G87 WeakPolarHBondContact CE-O 3.37Å; M85-G87 WeakPolarHBondContact CG-O 3.42Å
86E85.1Confident86.1Confident109 Ų10941.3 Ų41.351%0.50925%0.248SC..EExtended strand (participates in β ladder)trans-10591.7174.9-72.6-179.8168.700107.5D88 T89 K91E86-D88 PolarHBondContact O-N 2.95Å; E86-T89 PolarHBondContact N-O 3.04Å; E86-T89 PolarHBondContact O-N 2.78Å; E86-K91 IonicContact OE1-NZ 3.05Å; E86-K91 PolarHBondContact OE1-NZ 3.03Å; E86-K91 VanDerWaalsContact OE2-CD 3.26Å; E86-K91 WeakPolarHBondContact OE2-CD 3.39Å; E86-K91 IonicContact OE2-NZ 3.57Å; E86-K91 PolarHBondContact OE2-NZ 2.71Å
87G82.9Confident86.8Confident60 Ų6044.2 Ų44.262%0.61924%0.244SC*.THydrogen-bonded Turntrans63-119.3-174.200000111.7M85 T89M85-G87 WeakPolarHBondContact CE-O 3.37Å; M85-G87 WeakPolarHBondContact CG-O 3.42Å; G87-T89 VanDerWaalsContact C-N 3.33Å
88D82.4Confident87.1Confident112 Ų11249.5 Ų49.560%0.59927%0.272SS*.THydrogen-bonded Turntrans-91.710.8176-68.8-77.2000113.7F3 E86F3-D88 VanDerWaalsContact CZ-O 3.27Å; F3-D88 WeakPolarHBondContact CZ-O 3.41Å; E86-D88 PolarHBondContact O-N 2.95Å
89T87.6Confident87.1Confident38 Ų3847.8 Ų47.823%0.23327%0.266CS..EExtended strand (participates in β ladder)trans-116.1128.9-178.8-61.80000111E86 G87 V106 T108E86-T89 PolarHBondContact N-O 3.04Å; E86-T89 PolarHBondContact O-N 2.78Å; G87-T89 VanDerWaalsContact C-N 3.33Å; T89-V106 HydrophobicContact CG2-CG1 3.24Å; T89-T108 PolarHBondContact OG1-OG1 3.16Å
90L88.3Confident86.9Confident0 Ų050.2 Ų50.20%029%0.292CS..EExtended strand (participates in β ladder)trans-95.4111.2178.1-177.475.5000109.3F3 F48 F63 L65 W83 V106 R107F3-L90 HydrophobicContact CE1-CB 4.49Å; F3-L90 HydrophobicContact CE2-CB 4.48Å; F3-L90 HydrophobicContact CZ-CB 4.13Å; F48-L90 HydrophobicContact CZ-CD1 4.48Å; F63-L90 HydrophobicContact CZ-CD2 4.24Å; L65-L90 HydrophobicContact CD2-CD1 3.53Å; W83-L90 HydrophobicContact CB-CD1 4.33Å; W83-L90 HydrophobicContact CD2-CD2 4.31Å; W83-L90 HydrophobicContact CD2-CG 4.31Å; W83-L90 HydrophobicContact CE3-CD1 4.21Å; W83-L90 HydrophobicContact CE3-CD2 3.82Å; W83-L90 HydrophobicContact CE3-CG 3.53Å; W83-L90 HydrophobicContact CZ3-CD2 3.97Å; W83-L90 HydrophobicContact CZ3-CG 3.89Å; L90-V106 CarbonylContact O-C 3.48Å; L90-V106 WeakPolarHBondContact O-CA 3.35Å; L90-R107 HydrophobicContact CB-CB 4.1Å; L90-R107 HydrophobicContact CD2-CB 4.44Å; L90-R107 PolarHBondContact N-O 2.82Å; L90-R107 PolarHBondContact O-N 2.7Å
91K91.2Very high86.8Confident60 Ų6052.1 Ų52.126%0.26130%0.295SS..EExtended strand (participates in β ladder)trans-108.5122.2-176.8-178.5175.3177.1-176.30110.1W83 T84 E86 V93 T105 V106W83-K91 CarbonylContact C-O 3.48Å; W83-K91 WeakPolarHBondContact CA-O 3.3Å; W83-K91 VanDerWaalsContact CE3-C 3.43Å; T84-K91 PolarHBondContact N-O 3.17Å; T84-K91 PolarHBondContact O-N 2.83Å; T84-K91 VanDerWaalsContact O-O 3.1Å; T84-K91 PolarHBondContact OG1-O 3.46Å; E86-K91 IonicContact OE1-NZ 3.05Å; E86-K91 PolarHBondContact OE1-NZ 3.03Å; E86-K91 VanDerWaalsContact OE2-CD 3.26Å; E86-K91 WeakPolarHBondContact OE2-CD 3.39Å; E86-K91 IonicContact OE2-NZ 3.57Å; E86-K91 PolarHBondContact OE2-NZ 2.71Å; K91-V93 HydrophobicContact CG-CG2 4.46Å; K91-T105 CarbonylContact C-O 3.54Å; K91-T105 WeakPolarHBondContact CA-O 3.47Å; K91-V106 HydrophobicContact CG-CG2 4.32Å
92G90.3Very high86.8Confident0 Ų057.6 Ų57.60%032%0.321CS..EExtended strand (participates in β ladder)trans-109.2124.3177.200000109.4A82 W83 T104 T105A82-G92 WeakPolarHBondContact O-CA 3.25Å; W83-G92 VanDerWaalsContact CZ3-N 3.31Å; G92-T104 CarbonylContact O-C 3.47Å; G92-T104 WeakPolarHBondContact O-CA 3.38Å; G92-T105 PolarHBondContact N-O 3.02Å; G92-T105 WeakPolarHBondContact O-CG2 3.5Å; G92-T105 PolarHBondContact O-N 3.27Å
93V91Very high86.7Confident46 Ų4657.4 Ų57.428%0.27932%0.318SS..EExtended strand (participates in β ladder)trans-112114173.9-177.20000107.4G81 A82 K91 Q102G81-V93 CarbonylContact C-O 3.55Å; G81-V93 WeakPolarHBondContact CA-O 3.35Å; A82-V93 PolarHBondContact N-O 3.47Å; A82-V93 PolarHBondContact O-N 3.48Å; K91-V93 HydrophobicContact CG-CG2 4.46Å; V93-Q102 HydrophobicContact CG1-CG 3.84Å
94F89.3Confident86.8Confident11 Ų1158.5 Ų58.55%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-117.2145.9-178.9-63.4-79.6000110.2F69 L79 S80 W83 Q102 L103 T105F69-F94 AromaticContact CE1-CE1 3.62Å; F69-F94 HydrophobicContact CE1-CE1 3.62Å; F69-F94 AromaticContact CE1-CZ 3.92Å; F69-F94 HydrophobicContact CE1-CZ 3.92Å; F69-F94 HydrophobicContact CE2-CE1 4.19Å; F69-F94 AromaticContact CZ-CE1 3.39Å; F69-F94 HydrophobicContact CZ-CE1 3.39Å; F69-F94 AromaticContact CZ-CZ 3.66Å; F69-F94 HydrophobicContact CZ-CZ 3.66Å; L79-F94 HydrophobicContact CB-CB 4.42Å; L79-F94 HydrophobicContact CB-CD1 4.37Å; L79-F94 HydrophobicContact CD2-CB 4.42Å; S80-F94 CarbonylContact O-C 3.53Å; W83-F94 AromaticContact CD1-CZ 3.88Å; W83-F94 HydrophobicContact CD2-CE2 4.39Å; W83-F94 HydrophobicContact CD2-CZ 4.26Å; W83-F94 AromaticContact CE2-CE2 3.85Å; W83-F94 AromaticContact CE2-CZ 3.64Å; W83-F94 HydrophobicContact CG-CZ 4.4Å; W83-F94 AromaticContact CZ2-CE2 3.9Å; W83-F94 HydrophobicContact CZ2-CE2 3.9Å; W83-F94 HydrophobicContact CZ2-CZ 4.06Å; W83-F94 AromaticContact NE1-CZ 3.42Å; F94-Q102 CarbonylContact O-C 3.49Å; F94-Q102 WeakPolarHBondContact O-CA 3.5Å; F94-L103 HydrophobicContact CB-CB 4.19Å; F94-L103 HydrophobicContact CB-CD2 4.34Å; F94-L103 HydrophobicContact CB-CG 4.49Å; F94-L103 PolarHBondContact N-O 2.79Å; F94-L103 PolarHBondContact O-N 3.35Å; F94-L103 VanDerWaalsContact O-O 3.08Å; F94-T105 HydrophobicContact CD2-CG2 3.75Å; F94-T105 HydrophobicContact CE2-CG2 3.44Å; F94-T105 VanDerWaalsContact CE2-CG2 3.44Å
95T89Confident86.8Confident54 Ų5456 Ų5633%0.33131%0.311SS..EExtended strand (participates in β ladder)trans-122.5125.2174.8-580000107.4L79 S80 K97 K101L79-T95 WeakPolarHBondContact CA-O 3.05Å; S80-T95 PolarHBondContact N-O 3.5Å; S80-T95 PolarHBondContact O-N 3.16Å; T95-K97 PolarHBondContact O-N 3.37Å; T95-K101 WeakPolarHBondContact CA-O 3.38Å
96R85.1Confident87Confident14 Ų1454.8 Ų54.85%0.05331%0.307CS..EExtended strand (participates in β ladder)trans-68.8126.2174.8-71.7-178.783.6165.69.3109.5M22 T77 L79 D98 N99 G100 K101 Y120M22-R96 PolarHBondContact O-NH1 3.05Å; M22-R96 PolarHBondContact O-NH2 2.77Å; M22-R96 VanDerWaalsContact O-NH2 3.11Å; T77-R96 HydrophobicContact CG2-CG 4.13Å; T77-R96 VanDerWaalsContact CG2-NE 3.26Å; T77-R96 PolarHBondContact OG1-NH2 2.95Å; L79-R96 HydrophobicContact CD2-CB 4.18Å; L79-R96 HydrophobicContact CD2-CG 3.31Å; R96-D98 VanDerWaalsContact C-N 3.28Å; R96-D98 PolarHBondContact O-N 2.9Å; R96-N99 VanDerWaalsContact CB-OD1 3.23Å; R96-N99 WeakPolarHBondContact CB-OD1 3.27Å; R96-G100 WeakPolarHBondContact O-CA 3.21Å; R96-G100 PolarHBondContact O-N 2.97Å; R96-K101 PolarHBondContact N-O 3.21Å; R96-Y120 WeakPolarHBondContact CD-OH 3.43Å; R96-Y120 HydrophobicContact CG-CE2 4.46Å; R96-Y120 PolarHBondContact NH1-OH 3.11Å; R96-Y120 VanDerWaalsContact NH1-OH 3.1Å
97K82.9Confident87.3Confident119 Ų11949.8 Ų49.852%0.51728%0.284SS..THydrogen-bonded Turntrans-68.7-29.6174-80.5-168.3161.8-174.80112.7E70 E78 T95E70-K97 WeakPolarHBondContact OE1-CE 3.44Å; E70-K97 IonicContact OE1-NZ 3.54Å; E70-K97 PolarHBondContact OE1-NZ 2.75Å; E78-K97 HydrophobicContact CB-CB 4.2Å; E78-K97 HydrophobicContact CB-CD 4.33Å; E78-K97 PolarHBondContact O-N 2.84Å; T95-K97 PolarHBondContact O-N 3.37Å
98D81Confident87.6Confident128 Ų12848.5 Ų48.568%0.68426%0.263SS*.THydrogen-bonded Turntrans-64.1-45.3-178.5-178-101.1000113.3R96R96-D98 VanDerWaalsContact C-N 3.28Å; R96-D98 PolarHBondContact O-N 2.9Å
99N81.6Confident87.8Confident60 Ų6044.8 Ų44.832%0.32124%0.244SC..THydrogen-bonded Turntrans-128.64.2-173.164.120.8000114.6R96 K101 Y120R96-N99 VanDerWaalsContact CB-OD1 3.23Å; R96-N99 WeakPolarHBondContact CB-OD1 3.27Å; N99-K101 HydrophobicContact CB-CG 4.43Å; N99-K101 PolarHBondContact O-N 3.05Å; N99-K101 VanDerWaalsContact OD1-CB 3.22Å; N99-K101 WeakPolarHBondContact OD1-CB 3.46Å; N99-K101 WeakPolarHBondContact OD1-CG 3.22Å; N99-K101 PolarHBondContact OD1-N 3.5Å; N99-Y120 PolarHBondContact ND2-OH 2.99Å
100G82.8Confident87.8Confident55 Ų5548.7 Ų48.757%0.56726%0.259SS*.  trans68.96.7179.900000115R96R96-G100 WeakPolarHBondContact O-CA 3.21Å; R96-G100 PolarHBondContact O-N 2.97Å
101K86.9Confident87.6Confident78 Ų7851.8 Ų51.834%0.33929%0.291SS..  trans-82.6140.1-174.7-64.4176.4174176.80111.9T95 R96 N99 Y120 E121T95-K101 WeakPolarHBondContact CA-O 3.38Å; R96-K101 PolarHBondContact N-O 3.21Å; N99-K101 HydrophobicContact CB-CG 4.43Å; N99-K101 PolarHBondContact O-N 3.05Å; N99-K101 VanDerWaalsContact OD1-CB 3.22Å; N99-K101 WeakPolarHBondContact OD1-CB 3.46Å; N99-K101 WeakPolarHBondContact OD1-CG 3.22Å; N99-K101 PolarHBondContact OD1-N 3.5Å; K101-Y120 HydrophobicContact CB-CE2 3.65Å; K101-Y120 HydrophobicContact CD-CE2 4.45Å; K101-Y120 VanDerWaalsContact CD-OH 3.27Å; K101-Y120 WeakPolarHBondContact CD-OH 3.45Å; K101-E121 HydrophobicContact CD-CG 3.84Å; K101-E121 WeakPolarHBondContact CD-OE1 3.42Å; K101-E121 WeakPolarHBondContact CD-OE2 3.46Å; K101-E121 VanDerWaalsContact CE-CD 3.44Å; K101-E121 WeakPolarHBondContact CE-OE1 3.13Å; K101-E121 IonicContact NZ-OE1 3.34Å; K101-E121 PolarHBondContact NZ-OE1 2.85Å; K101-E121 IonicContact NZ-OE2 2.7Å; K101-E121 PolarHBondContact NZ-OE2 3.49Å
102Q88.3Confident87.3Confident116 Ų11654.9 Ų54.954%0.54231%0.31SS..EExtended strand (participates in β ladder)trans-82.1133.4177.1-167.5174.978.300111.2V93 F94 Y120V93-Q102 HydrophobicContact CG1-CG 3.84Å; F94-Q102 CarbonylContact O-C 3.49Å; F94-Q102 WeakPolarHBondContact O-CA 3.5Å; Q102-Y120 WeakPolarHBondContact O-CD2 3.3Å
103L89.1Confident87.3Confident9 Ų957.2 Ų57.25%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-115.1119.5172.3168.967.2000107.6F18 M22 L79 F94 Y120F18-L103 HydrophobicContact CE2-CD1 3.5Å; F18-L103 HydrophobicContact CZ-CD1 3.56Å; M22-L103 HydrophobicContact CE-CD1 3.48Å; M22-L103 VanDerWaalsContact CE-CD1 3.48Å; M22-L103 HydrophobicContact CE-CD2 3.49Å; M22-L103 VanDerWaalsContact CE-CD2 3.49Å; M22-L103 HydrophobicContact CE-CG 4.02Å; L79-L103 HydrophobicContact CD1-CD2 4.16Å; L79-L103 HydrophobicContact CD2-CD2 4.4Å; F94-L103 HydrophobicContact CB-CB 4.19Å; F94-L103 HydrophobicContact CB-CD2 4.34Å; F94-L103 HydrophobicContact CB-CG 4.49Å; F94-L103 PolarHBondContact N-O 2.79Å; F94-L103 PolarHBondContact O-N 3.35Å; F94-L103 VanDerWaalsContact O-O 3.08Å; L103-Y120 HydrophobicContact CB-CD2 4.03Å; L103-Y120 HydrophobicContact CD1-CD2 4.23Å; L103-Y120 HydrophobicContact CD1-CG 4.42Å
104T90.7Very high87.2Confident35 Ų3555 Ų5522%0.21531%0.308CS..EExtended strand (participates in β ladder)trans-102.9135.8172.6-55.90000109.1G92 V106 F118 S119G92-T104 CarbonylContact O-C 3.47Å; G92-T104 WeakPolarHBondContact O-CA 3.38Å; T104-V106 HydrophobicContact CG2-CG2 4.17Å; T104-F118 CarbonylContact O-C 3.49Å; T104-F118 WeakPolarHBondContact O-CA 2.78Å; T104-S119 PolarHBondContact N-O 2.87Å; T104-S119 PolarHBondContact O-N 3.22Å
105T90.3Very high87.3Confident3 Ų355.1 Ų55.12%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-127.1139.2171.71730000108.8W83 K91 G92 F94 Q116 S117W83-T105 HydrophobicContact CH2-CG2 3.26Å; W83-T105 HydrophobicContact CZ2-CG2 3.77Å; W83-T105 HydrophobicContact CZ3-CG2 3.73Å; K91-T105 CarbonylContact C-O 3.54Å; K91-T105 WeakPolarHBondContact CA-O 3.47Å; G92-T105 PolarHBondContact N-O 3.02Å; G92-T105 WeakPolarHBondContact O-CG2 3.5Å; G92-T105 PolarHBondContact O-N 3.27Å; F94-T105 HydrophobicContact CD2-CG2 3.75Å; F94-T105 HydrophobicContact CE2-CG2 3.44Å; F94-T105 VanDerWaalsContact CE2-CG2 3.44Å; T105-Q116 PolarHBondContact OG1-NE2 3.41Å; T105-Q116 VanDerWaalsContact OG1-NE2 3.09Å; T105-S117 CarbonylContact C-O 3.49Å; T105-S117 WeakPolarHBondContact CA-O 3.11Å; T105-S117 PolarHBondContact OG1-O 3.44Å
106V91.5Very high87.4Confident44 Ų4452.9 Ų52.927%0.26730%0.295SS..EExtended strand (participates in β ladder)trans-132121.2-177.9-176.60000107.8T89 L90 K91 T104 Q116 S117T89-V106 HydrophobicContact CG2-CG1 3.24Å; L90-V106 CarbonylContact O-C 3.48Å; L90-V106 WeakPolarHBondContact O-CA 3.35Å; K91-V106 HydrophobicContact CG-CG2 4.32Å; T104-V106 HydrophobicContact CG2-CG2 4.17Å; V106-Q116 CarbonylContact O-C 3.56Å; V106-Q116 VanDerWaalsContact O-CA 3.31Å; V106-Q116 WeakPolarHBondContact O-CA 3.25Å; V106-S117 PolarHBondContact N-O 2.99Å; V106-S117 PolarHBondContact O-N 3.23Å
107R90.4Very high87.8Confident4 Ų453.9 Ų53.92%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-109.4119.3177-78.6176.9173.1162.31.1108.2F3 E52 W83 L90 L114 V115 Q116F3-R107 HydrophobicContact CE1-CB 4.44Å; E52-R107 IonicContact OE1-NH2 3.96Å; E52-R107 PolarHBondContact OE1-NH2 3.44Å; E52-R107 VanDerWaalsContact OE1-NH2 3.11Å; W83-R107 HydrophobicContact CH2-CG 4.32Å; W83-R107 HydrophobicContact CZ3-CG 4.48Å; L90-R107 HydrophobicContact CB-CB 4.1Å; L90-R107 HydrophobicContact CD2-CB 4.44Å; L90-R107 PolarHBondContact N-O 2.82Å; L90-R107 PolarHBondContact O-N 2.7Å; R107-L114 HydrophobicContact CB-CD1 4.14Å; R107-L114 HydrophobicContact CG-CD1 4.46Å; R107-V115 WeakPolarHBondContact CA-O 3.5Å; R107-Q116 HydrophobicContact CG-CB 3.99Å; R107-Q116 HydrophobicContact CG-CG 3.65Å; R107-Q116 VanDerWaalsContact NH2-OE1 3.07Å
108T89.9Confident88.1Confident32 Ų3249.4 Ų49.420%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-130.8145.4177.2-168.10000109.6T89 Q110 V115T89-T108 PolarHBondContact OG1-OG1 3.16Å; T108-Q110 HydrophobicContact CG2-CG 4.25Å; T108-V115 HydrophobicContact CG2-CB 4.06Å; T108-V115 PolarHBondContact N-O 3.29Å; T108-V115 PolarHBondContact O-N 3.1Å
109I87.8Confident88.6Confident35 Ų3545.3 Ų45.318%0.17927%0.266CS..EExtended strand (participates in β ladder)trans-94.2119.1174.9-59.2-62.8000107.8T2 F3 W7 G111 L114T2-I109 HydrophobicContact CG2-CB 4.3Å; T2-I109 HydrophobicContact CG2-CG1 4.12Å; T2-I109 HydrophobicContact CG2-CG2 4.37Å; F3-I109 HydrophobicContact CD1-CD1 3.66Å; F3-I109 HydrophobicContact CD1-CG1 3.64Å; F3-I109 HydrophobicContact CE1-CD1 3.85Å; F3-I109 HydrophobicContact CE1-CG1 3.5Å; F3-I109 HydrophobicContact CG-CG1 4.34Å; F3-I109 HydrophobicContact CZ-CG1 4.08Å; W7-I109 HydrophobicContact CH2-CD1 3.56Å; W7-I109 HydrophobicContact CZ2-CD1 3.6Å; W7-I109 HydrophobicContact CZ3-CD1 4.26Å; I109-G111 VanDerWaalsContact CG2-O 3.25Å; I109-G111 WeakPolarHBondContact CG2-O 3.43Å; I109-L114 HydrophobicContact CD1-CB 3.81Å; I109-L114 HydrophobicContact CD1-CD1 3.51Å; I109-L114 HydrophobicContact CD1-CG 4.26Å
110Q86.1Confident88.9Confident120 Ų12042.5 Ų42.556%0.56125%0.251SS*.EExtended strand (participates in β ladder)trans-112.794.3172.9-70.7-175.647.400108.5T108 D112 E113 V115T108-Q110 HydrophobicContact CG2-CG 4.25Å; Q110-D112 PolarHBondContact O-N 2.53Å; Q110-E113 PolarHBondContact N-O 2.91Å; Q110-E113 PolarHBondContact O-N 3.35Å; Q110-E113 VanDerWaalsContact O-N 3.15Å; Q110-V115 HydrophobicContact CB-CG2 4.31Å; Q110-V115 HydrophobicContact CG-CG2 4.32Å
111G84.3Confident89Confident65 Ų6544.3 Ų44.367%0.6725%0.245SC*.THydrogen-bonded Turntrans65-117.6-174.100000111.4I109I109-G111 VanDerWaalsContact CG2-O 3.25Å; I109-G111 WeakPolarHBondContact CG2-O 3.43Å
112D85.3Confident88.8Confident124 Ų12443.9 Ų43.966%0.66326%0.263SS*.THydrogen-bonded Turntrans-96.36178.1-75.5-84.1000113.8Q110Q110-D112 PolarHBondContact O-N 2.53Å
113E89.9Confident88.9Confident50 Ų5039.7 Ų39.723%0.23425%0.245CC..EExtended strand (participates in β ladder)trans-110.9132.9178.8-57.9-167.9118.300111.2R11 Q110 I128 F129 K130R11-E113 IonicContact CZ-OE1 3.43Å; R11-E113 IonicContact CZ-OE2 3.22Å; R11-E113 IonicContact NH1-OE1 3.11Å; R11-E113 PolarHBondContact NH1-OE1 2.91Å; R11-E113 IonicContact NH1-OE2 2.99Å; R11-E113 IonicContact NH2-OE1 2.77Å; R11-E113 PolarHBondContact NH2-OE1 2.91Å; R11-E113 IonicContact NH2-OE2 2.78Å; R11-E113 PolarHBondContact NH2-OE2 2.95Å; Q110-E113 PolarHBondContact N-O 2.91Å; Q110-E113 PolarHBondContact O-N 3.35Å; Q110-E113 VanDerWaalsContact O-N 3.15Å; E113-I128 HydrophobicContact CB-CG2 3.97Å; E113-I128 HydrophobicContact CG-CG2 4.33Å; E113-F129 CarbonylContact C-O 3.51Å; E113-F129 VanDerWaalsContact CA-O 3.29Å; E113-F129 WeakPolarHBondContact CA-O 3.16Å; E113-K130 HydrophobicContact CG-CG 4.2Å; E113-K130 WeakPolarHBondContact OE1-CE 3.48Å
114L90.1Very high88.9Confident0 Ų043.6 Ų43.60%027%0.266CS..EExtended strand (participates in β ladder)trans-89.5116168.1167.972.8000108F3 W7 I41 R107 I109 F129F3-L114 HydrophobicContact CD1-CD1 4Å; F3-L114 HydrophobicContact CE1-CD1 4.03Å; W7-L114 HydrophobicContact CB-CD2 3.91Å; W7-L114 HydrophobicContact CD2-CB 3.66Å; W7-L114 HydrophobicContact CD2-CD2 3.92Å; W7-L114 HydrophobicContact CD2-CG 4.4Å; W7-L114 HydrophobicContact CE3-CB 3.4Å; W7-L114 VanDerWaalsContact CE3-CB 3.4Å; W7-L114 HydrophobicContact CE3-CD2 4.49Å; W7-L114 HydrophobicContact CG-CB 4.22Å; W7-L114 HydrophobicContact CG-CD2 3.62Å; W7-L114 HydrophobicContact CH2-CB 4.31Å; W7-L114 HydrophobicContact CZ3-CB 3.76Å; I41-L114 HydrophobicContact CD1-CD2 4.16Å; R107-L114 HydrophobicContact CB-CD1 4.14Å; R107-L114 HydrophobicContact CG-CD1 4.46Å; I109-L114 HydrophobicContact CD1-CB 3.81Å; I109-L114 HydrophobicContact CD1-CD1 3.51Å; I109-L114 HydrophobicContact CD1-CG 4.26Å; L114-F129 HydrophobicContact CB-CB 4.14Å; L114-F129 HydrophobicContact CD2-CB 4.4Å; L114-F129 HydrophobicContact CD2-CD2 4.25Å; L114-F129 HydrophobicContact CD2-CG 4.41Å; L114-F129 HydrophobicContact CG-CD2 4.31Å; L114-F129 PolarHBondContact N-O 3.5Å; L114-F129 WeakPolarHBondContact O-CD2 3.31Å; L114-F129 PolarHBondContact O-N 2.92Å
115V91.3Very high89Confident13 Ų1342 Ų428%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-101.8113.2177-1770000108.6R107 T108 Q110 I128R107-V115 WeakPolarHBondContact CA-O 3.5Å; T108-V115 HydrophobicContact CG2-CB 4.06Å; T108-V115 PolarHBondContact N-O 3.29Å; T108-V115 PolarHBondContact O-N 3.1Å; Q110-V115 HydrophobicContact CB-CG2 4.31Å; Q110-V115 HydrophobicContact CG-CG2 4.32Å; V115-I128 HydrophobicContact CG2-CG1 4.33Å; V115-I128 HydrophobicContact CG2-CG2 4.48Å
116Q91Very high89Confident7 Ų746.4 Ų46.43%0.03328%0.275CS..EExtended strand (participates in β ladder)trans-103.8111.8173.5-172.3167.7-4.400110.1T105 V106 R107 F118 K126 R127 F129T105-Q116 PolarHBondContact OG1-NE2 3.41Å; T105-Q116 VanDerWaalsContact OG1-NE2 3.09Å; V106-Q116 CarbonylContact O-C 3.56Å; V106-Q116 VanDerWaalsContact O-CA 3.31Å; V106-Q116 WeakPolarHBondContact O-CA 3.25Å; R107-Q116 HydrophobicContact CG-CB 3.99Å; R107-Q116 HydrophobicContact CG-CG 3.65Å; R107-Q116 VanDerWaalsContact NH2-OE1 3.07Å; Q116-F118 HydrophobicContact CB-CE2 4.29Å; Q116-F118 HydrophobicContact CG-CD2 4.36Å; Q116-F118 HydrophobicContact CG-CE1 4.15Å; Q116-F118 HydrophobicContact CG-CE2 3.65Å; Q116-F118 HydrophobicContact CG-CZ 3.56Å; Q116-K126 CarbonylContact O-C 3.59Å; Q116-K126 VanDerWaalsContact O-CA 3.3Å; Q116-K126 WeakPolarHBondContact O-CA 3.23Å; Q116-R127 PolarHBondContact N-O 3.24Å; Q116-R127 PolarHBondContact O-N 3.28Å; Q116-F129 HydrophobicContact CB-CD2 4.45Å; Q116-F129 HydrophobicContact CB-CE2 3.82Å
117S91.9Very high89Confident34 Ų3444.7 Ų44.724%0.23826%0.264CS..EExtended strand (participates in β ladder)trans-95.4141.4172.9-55.10000110.2T105 V106 A125T105-S117 CarbonylContact C-O 3.49Å; T105-S117 WeakPolarHBondContact CA-O 3.11Å; T105-S117 PolarHBondContact OG1-O 3.44Å; V106-S117 PolarHBondContact N-O 2.99Å; V106-S117 PolarHBondContact O-N 3.23Å; S117-A125 CarbonylContact C-O 3.55Å; S117-A125 WeakPolarHBondContact CA-O 2.93Å
118F90.7Very high89.1Confident26 Ų2644.8 Ų44.811%0.11427%0.265CS..EExtended strand (participates in β ladder)trans-123.2140.4174.2-58.1-89.7000108.4Y15 F18 T104 Q116 D124 A125 R127Y15-F118 HydrophobicContact CE2-CE2 4.29Å; F18-F118 HydrophobicContact CD2-CB 4.03Å; F18-F118 HydrophobicContact CE1-CB 4.31Å; F18-F118 HydrophobicContact CE1-CG 4.41Å; F18-F118 HydrophobicContact CE2-CB 3.54Å; F18-F118 HydrophobicContact CE2-CG 4.41Å; F18-F118 HydrophobicContact CZ-CB 3.68Å; F18-F118 HydrophobicContact CZ-CD1 4.09Å; F18-F118 HydrophobicContact CZ-CG 4.05Å; T104-F118 CarbonylContact O-C 3.49Å; T104-F118 WeakPolarHBondContact O-CA 2.78Å; Q116-F118 HydrophobicContact CB-CE2 4.29Å; Q116-F118 HydrophobicContact CG-CD2 4.36Å; Q116-F118 HydrophobicContact CG-CE1 4.15Å; Q116-F118 HydrophobicContact CG-CE2 3.65Å; Q116-F118 HydrophobicContact CG-CZ 3.56Å; F118-D124 CarbonylContact O-C 3.5Å; F118-D124 VanDerWaalsContact O-CA 3.25Å; F118-D124 WeakPolarHBondContact O-CA 3.4Å; F118-A125 PolarHBondContact N-O 3.31Å; F118-A125 PolarHBondContact O-N 3.11Å; F118-R127 HydrophobicContact CE2-CB 4.33Å; F118-R127 HydrophobicContact CE2-CG 3.85Å
119S90.2Very high89.1Confident41 Ų4143.2 Ų43.229%0.28726%0.255SS..EExtended strand (participates in β ladder)trans-134.4121.8175.6-166.40000109.4T104 V123 D124T104-S119 PolarHBondContact N-O 2.87Å; T104-S119 PolarHBondContact O-N 3.22Å; S119-V123 WeakPolarHBondContact CA-O 3.27Å; S119-D124 WeakPolarHBondContact CB-OD1 3.49Å; S119-D124 PolarHBondContact OG-OD1 2.55Å
120Y87.8Confident89.3Confident1 Ų145.9 Ų45.90%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-144.1121.3179.9-175.8-107.5000110.3F18 K21 M22 R96 N99 K101 Q102 L103 G122 V123F18-Y120 HydrophobicContact CE2-CG 4.5Å; K21-Y120 HydrophobicContact CB-CD1 4.4Å; M22-Y120 HydrophobicContact CE-CG 4.42Å; M22-Y120 HydrophobicContact CG-CD1 4.05Å; M22-Y120 HydrophobicContact CG-CE1 4.21Å; M22-Y120 HydrophobicContact CG-CG 4.5Å; R96-Y120 WeakPolarHBondContact CD-OH 3.43Å; R96-Y120 HydrophobicContact CG-CE2 4.46Å; R96-Y120 PolarHBondContact NH1-OH 3.11Å; R96-Y120 VanDerWaalsContact NH1-OH 3.1Å; N99-Y120 PolarHBondContact ND2-OH 2.99Å; K101-Y120 HydrophobicContact CB-CE2 3.65Å; K101-Y120 HydrophobicContact CD-CE2 4.45Å; K101-Y120 VanDerWaalsContact CD-OH 3.27Å; K101-Y120 WeakPolarHBondContact CD-OH 3.45Å; Q102-Y120 WeakPolarHBondContact O-CD2 3.3Å; L103-Y120 HydrophobicContact CB-CD2 4.03Å; L103-Y120 HydrophobicContact CD1-CD2 4.23Å; L103-Y120 HydrophobicContact CD1-CG 4.42Å; Y120-G122 PolarHBondContact O-N 2.93Å; Y120-V123 PolarHBondContact N-O 2.87Å; Y120-V123 WeakPolarHBondContact O-CB 3.43Å; Y120-V123 PolarHBondContact O-N 2.76Å
121E85.2Confident89.3Confident93 Ų9346.2 Ų46.244%0.43526%0.261SS..THydrogen-bonded Turntrans51.238.1179.4-59.6-160.585.700114.9K101 V123K101-E121 HydrophobicContact CD-CG 3.84Å; K101-E121 WeakPolarHBondContact CD-OE1 3.42Å; K101-E121 WeakPolarHBondContact CD-OE2 3.46Å; K101-E121 VanDerWaalsContact CE-CD 3.44Å; K101-E121 WeakPolarHBondContact CE-OE1 3.13Å; K101-E121 IonicContact NZ-OE1 3.34Å; K101-E121 PolarHBondContact NZ-OE1 2.85Å; K101-E121 IonicContact NZ-OE2 2.7Å; K101-E121 PolarHBondContact NZ-OE2 3.49Å; E121-V123 PolarHBondContact O-N 3.28Å
122G83.6Confident89.1Confident70 Ų7048.2 Ų48.272%0.72227%0.265SS*.THydrogen-bonded Turntrans74.69.6-177.200000114.5Y120Y120-G122 PolarHBondContact O-N 2.93Å
123V89.3Confident89.2Confident28 Ų2844.4 Ų44.417%0.1725%0.245CC..EExtended strand (participates in β ladder)trans-101.7116.3168-178.40000109.2K17 F18 K21 S119 Y120 E121K17-V123 HydrophobicContact CB-CG1 4.24Å; F18-V123 HydrophobicContact CB-CG1 4.18Å; K21-V123 HydrophobicContact CB-CG2 4.17Å; K21-V123 HydrophobicContact CG-CG2 3.88Å; S119-V123 WeakPolarHBondContact CA-O 3.27Å; Y120-V123 PolarHBondContact N-O 2.87Å; Y120-V123 WeakPolarHBondContact O-CB 3.43Å; Y120-V123 PolarHBondContact O-N 2.76Å; E121-V123 PolarHBondContact O-N 3.28Å
124D90.4Very high89.2Confident91 Ų9144.1 Ų44.149%0.48725%0.246SC..EExtended strand (participates in β ladder)trans-99.1136.8175.2-54.5-77.3000110.9N14 F118 S119N14-D124 WeakPolarHBondContact CB-O 3.49Å; N14-D124 PolarHBondContact ND2-O 2.85Å; F118-D124 CarbonylContact O-C 3.5Å; F118-D124 VanDerWaalsContact O-CA 3.25Å; F118-D124 WeakPolarHBondContact O-CA 3.4Å; S119-D124 WeakPolarHBondContact CB-OD1 3.49Å; S119-D124 PolarHBondContact OG-OD1 2.55Å
125A91.1Very high89.2Confident2 Ų246.6 Ų46.62%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-132.6156.2171.900000110.5E13 N14 Y15 F18 S117 F118E13-A125 CarbonylContact O-C 3.59Å; E13-A125 WeakPolarHBondContact O-CA 3.38Å; E13-A125 WeakPolarHBondContact O-CB 3.22Å; N14-A125 HydrophobicContact CB-CB 4.47Å; Y15-A125 HydrophobicContact CD2-CB 4.43Å; F18-A125 HydrophobicContact CB-CB 3.52Å; F18-A125 HydrophobicContact CD2-CB 4.49Å; F18-A125 HydrophobicContact CG-CB 4.02Å; S117-A125 CarbonylContact C-O 3.55Å; S117-A125 WeakPolarHBondContact CA-O 2.93Å; F118-A125 PolarHBondContact N-O 3.31Å; F118-A125 PolarHBondContact O-N 3.11Å
126K91.3Very high89Confident95 Ų9548.5 Ų48.541%0.41327%0.27SS..EExtended strand (participates in β ladder)trans-131.4146.7176-57.1-179.1180173.60110.4N12 E13 Q116N12-K126 CarbonylContact C-O 3.54Å; N12-K126 WeakPolarHBondContact CA-O 3.27Å; E13-K126 HydrophobicContact CB-CB 4.18Å; E13-K126 PolarHBondContact N-O 3.04Å; E13-K126 PolarHBondContact O-N 2.99Å; Q116-K126 CarbonylContact O-C 3.59Å; Q116-K126 VanDerWaalsContact O-CA 3.3Å; Q116-K126 WeakPolarHBondContact O-CA 3.23Å
127R90.9Very high88.9Confident8 Ų851.1 Ų51.13%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-128.2122170.9-63.2-172.876178.6-0.2107.3N12 Y15 Q116 F118 F129N12-R127 HydrophobicContact CB-CG 4.41Å; N12-R127 WeakPolarHBondContact OD1-CG 3.4Å; N12-R127 PolarHBondContact OD1-NE 2.78Å; Y15-R127 HydrophobicContact CD2-CG 3.96Å; Y15-R127 HydrophobicContact CE2-CG 4.28Å; Y15-R127 HydrophobicContact CG-CG 4.3Å; Y15-R127 PolarHBondContact OH-NH1 3.44Å; Q116-R127 PolarHBondContact N-O 3.24Å; Q116-R127 PolarHBondContact O-N 3.28Å; F118-R127 HydrophobicContact CE2-CB 4.33Å; F118-R127 HydrophobicContact CE2-CG 3.85Å; R127-F129 HydrophobicContact CB-CD2 4.31Å; R127-F129 HydrophobicContact CB-CE2 3.46Å; R127-F129 VanDerWaalsContact CB-CE2 3.46Å; R127-F129 HydrophobicContact CB-CZ 3.81Å; R127-F129 WeakPolarHBondContact O-CD2 3.18Å
128I92.1Very high88.7Confident5 Ų552.3 Ų52.33%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-101.8126.3177.9-56.793.5000107.5D10 R11 E13 E113 V115D10-I128 PolarHBondContact N-O 3.33Å; R11-I128 HydrophobicContact CG-CB 3.82Å; R11-I128 HydrophobicContact CG-CD1 3.79Å; R11-I128 HydrophobicContact CG-CG1 4.27Å; R11-I128 PolarHBondContact N-O 3.22Å; R11-I128 PolarHBondContact O-N 3.05Å; E13-I128 HydrophobicContact CG-CD1 4.07Å; E113-I128 HydrophobicContact CB-CG2 3.97Å; E113-I128 HydrophobicContact CG-CG2 4.33Å; V115-I128 HydrophobicContact CG2-CG1 4.33Å; V115-I128 HydrophobicContact CG2-CG2 4.48Å
129F91.3Very high88.6Confident0 Ų054.1 Ų54.10%030%0.301CS..EExtended strand (participates in β ladder)trans-115.7143.4178.5-54.9-104.2000109.2W7 K8 V9 L37 I39 E113 L114 Q116 R127W7-F129 HydrophobicContact CB-CB 3.85Å; W7-F129 HydrophobicContact CB-CG 4.43Å; K8-F129 CarbonylContact O-C 3.52Å; K8-F129 WeakPolarHBondContact O-CA 3.39Å; V9-F129 VanDerWaalsContact CA-CD1 3.47Å; V9-F129 HydrophobicContact CB-CD1 3.8Å; V9-F129 HydrophobicContact CB-CE1 3.75Å; V9-F129 HydrophobicContact CG2-CD1 4.41Å; V9-F129 HydrophobicContact CG2-CE1 4.2Å; L37-F129 HydrophobicContact CB-CE1 4.48Å; L37-F129 HydrophobicContact CD2-CE1 3.95Å; L37-F129 HydrophobicContact CD2-CZ 4.11Å; L37-F129 HydrophobicContact CG-CE1 4.23Å; I39-F129 HydrophobicContact CD1-CD1 4.13Å; I39-F129 HydrophobicContact CD1-CE1 3.47Å; I39-F129 VanDerWaalsContact CD1-CE1 3.47Å; I39-F129 HydrophobicContact CD1-CE2 4.21Å; I39-F129 HydrophobicContact CD1-CZ 3.52Å; I39-F129 HydrophobicContact CG1-CD1 4.35Å; I39-F129 HydrophobicContact CG1-CE1 3.88Å; I39-F129 HydrophobicContact CG1-CZ 4.43Å; E113-F129 CarbonylContact C-O 3.51Å; E113-F129 VanDerWaalsContact CA-O 3.29Å; E113-F129 WeakPolarHBondContact CA-O 3.16Å; L114-F129 HydrophobicContact CB-CB 4.14Å; L114-F129 HydrophobicContact CD2-CB 4.4Å; L114-F129 HydrophobicContact CD2-CD2 4.25Å; L114-F129 HydrophobicContact CD2-CG 4.41Å; L114-F129 HydrophobicContact CG-CD2 4.31Å; L114-F129 PolarHBondContact N-O 3.5Å; L114-F129 WeakPolarHBondContact O-CD2 3.31Å; L114-F129 PolarHBondContact O-N 2.92Å; Q116-F129 HydrophobicContact CB-CD2 4.45Å; Q116-F129 HydrophobicContact CB-CE2 3.82Å; R127-F129 HydrophobicContact CB-CD2 4.31Å; R127-F129 HydrophobicContact CB-CE2 3.46Å; R127-F129 VanDerWaalsContact CB-CE2 3.46Å; R127-F129 HydrophobicContact CB-CZ 3.81Å; R127-F129 WeakPolarHBondContact O-CD2 3.18Å
130K91.1Very high88.4Confident91 Ų9155.2 Ų55.240%0.39630%0.302SS..EExtended strand (participates in β ladder)trans-105.1146170.9-75.9-179.7-179155.50110W7 K8 D10 E113 S132W7-K130 CarbonylContact C-O 3.51Å; W7-K130 WeakPolarHBondContact CA-O 3.43Å; K8-K130 PolarHBondContact N-O 3.1Å; K8-K130 PolarHBondContact O-N 2.67Å; D10-K130 HydrophobicContact CB-CD 4.11Å; D10-K130 HydrophobicContact CB-CG 4.01Å; D10-K130 VanDerWaalsContact CG-NZ 3.33Å; D10-K130 IonicContact OD1-NZ 3.73Å; D10-K130 PolarHBondContact OD1-NZ 3.44Å; D10-K130 WeakPolarHBondContact OD2-CD 3.15Å; D10-K130 VanDerWaalsContact OD2-CE 3.29Å; D10-K130 WeakPolarHBondContact OD2-CE 3.29Å; D10-K130 IonicContact OD2-NZ 2.7Å; D10-K130 PolarHBondContact OD2-NZ 2.82Å; E113-K130 HydrophobicContact CG-CG 4.2Å; E113-K130 WeakPolarHBondContact OE1-CE 3.48Å; K130-S132 PolarHBondContact O-N 2.93Å
131R87.3Confident88.5Confident126 Ų12659.7 Ų59.748%0.47533%0.326SS..EExtended strand (participates in β ladder)trans-59.8132.1171.5-171.6171.4-80.1-173-6.9109.4T6 W7T6-R131 CarbonylContact O-C 3.59Å; T6-R131 WeakPolarHBondContact O-CA 3.48Å; W7-R131 HydrophobicContact CE3-CB 4.13Å; W7-R131 HydrophobicContact CH2-CB 4.47Å; W7-R131 HydrophobicContact CZ3-CB 3.92Å
132S78.4Confident88.8Confident107 Ų10756.6 Ų56.675%0.74832%0.317SS*.  trans-117.80-179.6175.80000111.6T6 K130T6-S132 PolarHBondContact O-N 3.49Å; K130-S132 PolarHBondContact O-N 2.93Å

Retrieved 132 of 132 residues in 49.5 ms (Link to these results)

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