A0A060XJS5_ONCMY Loading...

Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta

Promotes the release of prenylated target proteins from cellular membranes. Modulates the activity of prenylated or palmitoylated Ras family members by regulating their subcellular location. Required for normal ciliary targeting of farnesylated target proteins, such as INPP5E. Modulates the subcellular location of target proteins by acting as a GTP specific dissociation inhibitor (GDI). Increases the affinity of ARL3 for GTP by several orders of magnitude. Stabilizes ARL3-GTP by decreasing the nucleotide dissociation rate.

AlphaFold DB , UniProt , Accession A0A060XJS5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110521843, Length 156 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.7Low74Confident188 Ų18892.8 Ų92.893%0.92652%0.518SS*.  0135.40-97.2156.614100107.4D5 I6M1-D5 HydrophobicContact CB-CB 4.44Å; M1-D5 HydrophobicContact CG-CB 4.22Å; M1-I6 HydrophobicContact CB-CD1 4.47Å; M1-I6 HydrophobicContact CB-CG1 4.14Å
2S77.8Confident75.6Confident50 Ų5091.3 Ų91.335%0.3551%0.508SS..  trans-77.7158.917465.40000110.3S4 D5 I6S2-S4 PolarHBondContact O-N 3.39Å; S2-S4 PolarHBondContact OG-OG 2.92Å; S2-D5 WeakPolarHBondContact CB-OD2 3.49Å; S2-D5 PolarHBondContact N-OD2 2.77Å; S2-D5 PolarHBondContact O-N 3.44Å; S2-D5 PolarHBondContact OG-N 2.96Å; S2-D5 PolarHBondContact OG-OD1 2.86Å; S2-D5 PolarHBondContact OG-OD2 2.76Å; S2-I6 PolarHBondContact O-N 3.12Å
3D72.1Confident77.2Confident133 Ų13389.4 Ų89.471%0.71149%0.488SS*.Hα-helixtrans-56.5-32.7176.9-67.8-20.9000111.9I6 M7D3-I6 PolarHBondContact O-N 2.9Å; D3-M7 WeakPolarHBondContact O-CG 3.06Å; D3-M7 PolarHBondContact O-N 2.85Å
4S71.1Confident78.6Confident80 Ų8083.9 Ų83.956%0.55946%0.461SS*.Hα-helixtrans-67-35.8174.245.20000113.8S2 S8S2-S4 PolarHBondContact O-N 3.39Å; S2-S4 PolarHBondContact OG-OG 2.92Å; S4-S8 PolarHBondContact O-N 3.44Å; S4-S8 VanDerWaalsContact O-N 3.15Å
5D68.9Low79.8Confident82 Ų8286 Ų8644%0.43946%0.464SS..Hα-helixtrans-70.3-37.1177.9-57.6-41.8000110.8M1 S2 S9M1-D5 HydrophobicContact CB-CB 4.44Å; M1-D5 HydrophobicContact CG-CB 4.22Å; S2-D5 WeakPolarHBondContact CB-OD2 3.49Å; S2-D5 PolarHBondContact N-OD2 2.77Å; S2-D5 PolarHBondContact O-N 3.44Å; S2-D5 PolarHBondContact OG-N 2.96Å; S2-D5 PolarHBondContact OG-OD1 2.86Å; S2-D5 PolarHBondContact OG-OD2 2.76Å; D5-S9 PolarHBondContact O-N 3.21Å; D5-S9 VanDerWaalsContact O-N 3.1Å
6I71.6Confident80.9Confident80 Ų8087.1 Ų87.141%0.4147%0.465SS..Hα-helixtrans-65.9-50.7178.1-63.3171000109.5M1 S2 D3 S8 S9 T10M1-I6 HydrophobicContact CB-CD1 4.47Å; M1-I6 HydrophobicContact CB-CG1 4.14Å; S2-I6 PolarHBondContact O-N 3.12Å; D3-I6 PolarHBondContact O-N 2.9Å; I6-S8 VanDerWaalsContact C-N 3.33Å; I6-S8 PolarHBondContact O-N 2.96Å; I6-S9 PolarHBondContact O-N 3.25Å; I6-S9 VanDerWaalsContact O-N 3.12Å; I6-S9 PolarHBondContact O-OG 2.94Å; I6-T10 PolarHBondContact O-N 2.88Å; I6-T10 PolarHBondContact O-OG1 2.69Å; I6-T10 VanDerWaalsContact O-OG1 3.07Å
7M68.3Low81.9Confident121 Ų12182.1 Ų82.160%0.59644%0.438SS*.Hα-helixtrans-56.7-44.1178-72.4178.46600112.5D3 S9 T10 E11D3-M7 WeakPolarHBondContact O-CG 3.06Å; D3-M7 PolarHBondContact O-N 2.85Å; M7-S9 PolarHBondContact O-N 3.29Å; M7-T10 PolarHBondContact O-N 3.15Å; M7-E11 WeakPolarHBondContact O-CG 3.38Å; M7-E11 PolarHBondContact O-N 3.18Å
8S77.3Confident82.8Confident60 Ų6080.1 Ų80.142%0.4243%0.427SS..Hα-helixtrans-60.3-45176.3-172.90000111.9S4 I6 T10 E11 D12S4-S8 PolarHBondContact O-N 3.44Å; S4-S8 VanDerWaalsContact O-N 3.15Å; I6-S8 VanDerWaalsContact C-N 3.33Å; I6-S8 PolarHBondContact O-N 2.96Å; S8-T10 VanDerWaalsContact C-N 3.32Å; S8-T10 PolarHBondContact O-N 3.37Å; S8-E11 PolarHBondContact O-N 2.86Å; S8-D12 VanDerWaalsContact O-CG 3.23Å; S8-D12 PolarHBondContact O-N 3.38Å
9S80.7Confident83.6Confident59 Ų5986.1 Ų86.141%0.41345%0.449SS..Hα-helixtrans-65-35.6-179.171.90000113.1D5 I6 M7 R13D5-S9 PolarHBondContact O-N 3.21Å; D5-S9 VanDerWaalsContact O-N 3.1Å; I6-S9 PolarHBondContact O-N 3.25Å; I6-S9 VanDerWaalsContact O-N 3.12Å; I6-S9 PolarHBondContact O-OG 2.94Å; M7-S9 PolarHBondContact O-N 3.29Å; S9-R13 PolarHBondContact O-N 3.13Å; S9-R13 VanDerWaalsContact O-N 3.11Å
10T82.4Confident84.3Confident62 Ų6282.6 Ų82.638%0.3843%0.434SS..Hα-helixtrans-69.5-44.2177.2-57.10000111.4I6 M7 S8 D12 R13 A14 L144I6-T10 PolarHBondContact O-N 2.88Å; I6-T10 PolarHBondContact O-OG1 2.69Å; I6-T10 VanDerWaalsContact O-OG1 3.07Å; M7-T10 PolarHBondContact O-N 3.15Å; S8-T10 VanDerWaalsContact C-N 3.32Å; S8-T10 PolarHBondContact O-N 3.37Å; T10-D12 VanDerWaalsContact C-N 3.33Å; T10-D12 PolarHBondContact O-N 3.5Å; T10-R13 PolarHBondContact O-N 3.22Å; T10-A14 PolarHBondContact O-N 3.1Å; T10-L144 HydrophobicContact CG2-CD1 3.32Å
11E83.4Confident85Confident106 Ų10679.5 Ų79.550%0.49542%0.418SS..Hα-helixtrans-63.1-39.1175.9-75-175.6-17000112.5M7 S8 A14 K15M7-E11 WeakPolarHBondContact O-CG 3.38Å; M7-E11 PolarHBondContact O-N 3.18Å; S8-E11 PolarHBondContact O-N 2.86Å; E11-A14 PolarHBondContact O-N 3.41Å; E11-K15 WeakPolarHBondContact O-CD 3.25Å; E11-K15 VanDerWaalsContact O-CG 3.27Å; E11-K15 WeakPolarHBondContact O-CG 3.49Å; E11-K15 PolarHBondContact O-N 2.94Å; E11-K15 VanDerWaalsContact O-N 3.14Å; E11-K15 IonicContact OE2-NZ 3.84Å
12D93.3Very high86.8Confident75 Ų7576 Ų7640%0.40140%0.397SS..Hα-helixtrans-66-41.3178-69.3-23.7000111S8 T10 K15 E16S8-D12 VanDerWaalsContact O-CG 3.23Å; S8-D12 PolarHBondContact O-N 3.38Å; T10-D12 VanDerWaalsContact C-N 3.33Å; T10-D12 PolarHBondContact O-N 3.5Å; D12-K15 PolarHBondContact O-N 2.78Å; D12-K15 IonicContact OD1-NZ 3.35Å; D12-E16 WeakPolarHBondContact O-CG 3.42Å; D12-E16 PolarHBondContact O-N 2.91Å
13R96Very high87.8Confident66 Ų6674.1 Ų74.125%0.24938%0.383CS..Hα-helixtrans-62.1-44.9175.2-17957.7-176162.21.3112.7S9 T10 K15 E16 I17 E75 K76 L144S9-R13 PolarHBondContact O-N 3.13Å; S9-R13 VanDerWaalsContact O-N 3.11Å; T10-R13 PolarHBondContact O-N 3.22Å; R13-K15 VanDerWaalsContact C-N 3.31Å; R13-K15 PolarHBondContact O-N 2.87Å; R13-E16 IonicContact NH1-OE2 3.66Å; R13-E16 PolarHBondContact O-N 2.86Å; R13-I17 HydrophobicContact CG-CD1 4.03Å; R13-I17 WeakPolarHBondContact O-CG1 3.44Å; R13-I17 PolarHBondContact O-N 2.75Å; R13-E75 IonicContact CZ-OE2 3.67Å; R13-E75 IonicContact NH1-OE2 2.57Å; R13-E75 PolarHBondContact NH1-OE2 3.31Å; R13-E75 IonicContact NH2-OE2 2.74Å; R13-K76 PolarHBondContact NH2-O 2.85Å; R13-L144 HydrophobicContact CB-CD2 4.07Å; R13-L144 HydrophobicContact CG-CD2 3.54Å
14A97.1Very high89Confident12 Ų1269.6 Ų69.610%0.09936%0.359CS..Hα-helixtrans-59.4-42.4177.600000111.8T10 E11 I17 L18 L144 H145T10-A14 PolarHBondContact O-N 3.1Å; E11-A14 PolarHBondContact O-N 3.41Å; A14-I17 PolarHBondContact O-N 3.04Å; A14-L18 WeakPolarHBondContact O-CB 3.47Å; A14-L18 PolarHBondContact O-N 2.8Å; A14-L144 HydrophobicContact CB-CD1 4Å; A14-L144 HydrophobicContact CB-CG 4.4Å; A14-H145 WeakPolarHBondContact CB-O 3.44Å
15K95.9Very high90.3Very high116 Ų11669.7 Ų69.750%0.50435%0.347SS..Hα-helixtrans-64.2-40.1177.1-69.4165-164.4154.30112.2E11 D12 R13 K19E11-K15 WeakPolarHBondContact O-CD 3.25Å; E11-K15 VanDerWaalsContact O-CG 3.27Å; E11-K15 WeakPolarHBondContact O-CG 3.49Å; E11-K15 PolarHBondContact O-N 2.94Å; E11-K15 VanDerWaalsContact O-N 3.14Å; E11-K15 IonicContact OE2-NZ 3.84Å; D12-K15 PolarHBondContact O-N 2.78Å; D12-K15 IonicContact OD1-NZ 3.35Å; R13-K15 VanDerWaalsContact C-N 3.31Å; R13-K15 PolarHBondContact O-N 2.87Å; K15-K19 VanDerWaalsContact O-CB 3.31Å; K15-K19 WeakPolarHBondContact O-CB 3.25Å; K15-K19 PolarHBondContact O-N 2.91Å
16E97.7Very high91.7Very high104 Ų10467.2 Ų67.249%0.48633%0.333SS..Hα-helixtrans-63-48.5175.8-73.9176.517100111.9D12 R13 L18 K19 G20D12-E16 WeakPolarHBondContact O-CG 3.42Å; D12-E16 PolarHBondContact O-N 2.91Å; R13-E16 IonicContact NH1-OE2 3.66Å; R13-E16 PolarHBondContact O-N 2.86Å; E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 2.87Å; E16-K19 PolarHBondContact O-N 2.91Å; E16-G20 PolarHBondContact O-N 3.14Å
17I98.3Very high93Very high1 Ų163.7 Ų63.71%0.00532%0.315CS..Hα-helixtrans-57.8-50.9176.6-65.5165.2000109.7R13 A14 K19 G20 F21 E75 L77 D141 L144 V146R13-I17 HydrophobicContact CG-CD1 4.03Å; R13-I17 WeakPolarHBondContact O-CG1 3.44Å; R13-I17 PolarHBondContact O-N 2.75Å; A14-I17 PolarHBondContact O-N 3.04Å; I17-K19 VanDerWaalsContact C-N 3.3Å; I17-K19 PolarHBondContact O-N 2.83Å; I17-G20 CarbonylContact O-C 3.53Å; I17-G20 PolarHBondContact O-N 3.17Å; I17-G20 VanDerWaalsContact O-N 3.07Å; I17-F21 VanDerWaalsContact O-CB 3.27Å; I17-F21 WeakPolarHBondContact O-CB 3.3Å; I17-F21 PolarHBondContact O-N 2.96Å; I17-E75 HydrophobicContact CG1-CB 4.05Å; I17-E75 HydrophobicContact CG1-CG 4.26Å; I17-L77 HydrophobicContact CB-CD2 4.34Å; I17-L77 HydrophobicContact CD1-CD2 3.63Å; I17-L77 HydrophobicContact CG1-CD2 3.77Å; I17-L77 HydrophobicContact CG2-CD2 3.6Å; I17-D141 HydrophobicContact CD1-CB 4.33Å; I17-L144 HydrophobicContact CD1-CD2 3.81Å; I17-V146 HydrophobicContact CB-CG1 4.03Å; I17-V146 HydrophobicContact CB-CG2 4.31Å; I17-V146 HydrophobicContact CD1-CG2 4.07Å; I17-V146 HydrophobicContact CG2-CB 4.47Å; I17-V146 HydrophobicContact CG2-CG1 3.66Å; I17-V146 HydrophobicContact CG2-CG2 3.94Å
18L97.6Very high94.4Very high46 Ų4659 Ų5924%0.24129%0.292CS..Hα-helixtrans-59.1-41.3-179.6178.958.3000112.2A14 E16 G20 F21 P47 V146A14-L18 WeakPolarHBondContact O-CB 3.47Å; A14-L18 PolarHBondContact O-N 2.8Å; E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 2.87Å; L18-G20 VanDerWaalsContact C-N 3.26Å; L18-G20 PolarHBondContact O-N 2.82Å; L18-F21 PolarHBondContact O-N 2.9Å; L18-P47 HydrophobicContact CD2-CG 3.89Å; L18-V146 HydrophobicContact CB-CG1 4.04Å
19K97.9Very high95.4Very high195 Ų19559.6 Ų59.685%0.84829%0.285SS*.Hα-helixtrans-63.9-32.7177.6-176-177.7176.7-173.10112.5K15 E16 I17K15-K19 VanDerWaalsContact O-CB 3.31Å; K15-K19 WeakPolarHBondContact O-CB 3.25Å; K15-K19 PolarHBondContact O-N 2.91Å; E16-K19 PolarHBondContact O-N 2.91Å; I17-K19 VanDerWaalsContact C-N 3.3Å; I17-K19 PolarHBondContact O-N 2.83Å
20G98.2Very high96.2Very high15 Ų1558.1 Ų58.116%0.15527%0.273CS..Hα-helixtrans-92.3-4.2178.900000114.8E16 I17 L18 S73 S74E16-G20 PolarHBondContact O-N 3.14Å; I17-G20 CarbonylContact O-C 3.53Å; I17-G20 PolarHBondContact O-N 3.17Å; I17-G20 VanDerWaalsContact O-N 3.07Å; L18-G20 VanDerWaalsContact C-N 3.26Å; L18-G20 PolarHBondContact O-N 2.82Å; G20-S73 CarbonylContact O-C 3.51Å; G20-S73 WeakPolarHBondContact O-CA 3.38Å; G20-S74 PolarHBondContact O-N 3.35Å
21F98.6Very high96.8Very high19 Ų1957.1 Ų57.18%0.08327%0.271CS..EExtended strand (participates in β ladder)trans-98140.5-176.6-169.9-88.9000111.1I17 L18 F71 S72 F80 F139I17-F21 VanDerWaalsContact O-CB 3.27Å; I17-F21 WeakPolarHBondContact O-CB 3.3Å; I17-F21 PolarHBondContact O-N 2.96Å; L18-F21 PolarHBondContact O-N 2.9Å; F21-F71 HydrophobicContact CD2-CD2 4.32Å; F21-F71 HydrophobicContact CE1-CB 4.37Å; F21-F71 HydrophobicContact CE2-CB 4.18Å; F21-F71 AromaticContact CE2-CD2 3.42Å; F21-F71 HydrophobicContact CE2-CD2 3.42Å; F21-F71 VanDerWaalsContact CE2-CD2 3.42Å; F21-F71 HydrophobicContact CE2-CE2 4.03Å; F21-F71 AromaticContact CE2-CG 3.99Å; F21-F71 HydrophobicContact CE2-CG 3.99Å; F21-F71 HydrophobicContact CZ-CB 3.74Å; F21-F71 AromaticContact CZ-CD2 3.82Å; F21-F71 HydrophobicContact CZ-CD2 3.82Å; F21-F71 AromaticContact CZ-CG 3.89Å; F21-F71 HydrophobicContact CZ-CG 3.89Å; F21-S72 WeakPolarHBondContact CA-O 3.19Å; F21-F80 HydrophobicContact CE2-CE1 4.14Å; F21-F80 HydrophobicContact CE2-CE2 4.05Å; F21-F80 AromaticContact CE2-CZ 3.64Å; F21-F80 HydrophobicContact CE2-CZ 3.64Å; F21-F80 HydrophobicContact CZ-CE1 4.28Å; F21-F80 HydrophobicContact CZ-CE2 4.33Å; F21-F80 AromaticContact CZ-CZ 3.65Å; F21-F80 HydrophobicContact CZ-CZ 3.65Å; F21-F139 HydrophobicContact CE1-CD1 4.22Å; F21-F139 HydrophobicContact CE1-CE1 4.09Å; F21-F139 HydrophobicContact CZ-CD1 4.26Å; F21-F139 HydrophobicContact CZ-CE1 4.3Å
22K98.5Very high97.3Very high115 Ų11558 Ų5850%0.528%0.275SS..EExtended strand (participates in β ladder)trans-146.9128.9174-179.1174.9-179179.40110.9N24 F71 S72K22-N24 PolarHBondContact O-N 2.7Å; K22-F71 CarbonylContact O-C 3.6Å; K22-F71 WeakPolarHBondContact O-CA 3.26Å; K22-F71 WeakPolarHBondContact O-CB 3.46Å; K22-S72 PolarHBondContact N-O 3.47Å; K22-S72 PolarHBondContact O-N 2.95Å
23L98.4Very high97.4Very high10 Ų1059 Ų595%0.05228%0.284CS..EExtended strand (participates in β ladder)trans-81.3114.7162.3-171.871.6000108.8D43 L44 L69 N70 F71L23-D43 VanDerWaalsContact CB-OD1 3.31Å; L23-D43 WeakPolarHBondContact CB-OD1 3.49Å; L23-D43 PolarHBondContact N-OD1 2.77Å; L23-D43 VanDerWaalsContact N-OD1 3.17Å; L23-L44 HydrophobicContact CD2-CB 3.92Å; L23-L44 HydrophobicContact CD2-CG 4.43Å; L23-L69 HydrophobicContact CD1-CB 4.06Å; L23-L69 HydrophobicContact CD1-CD2 3.85Å; L23-L69 HydrophobicContact CD1-CG 4.49Å; L23-L69 HydrophobicContact CD2-CD2 4.37Å; L23-N70 WeakPolarHBondContact CD1-O 3.43Å; L23-F71 HydrophobicContact CD1-CB 4.28Å
24N98.4Very high97.4Very high37 Ų3757.6 Ų57.620%0.19829%0.29CS..EExtended strand (participates in β ladder)trans-82.5-43.2-175-60.3-43.6000112.1K22 N70 S72K22-N24 PolarHBondContact O-N 2.7Å; N24-N70 WeakPolarHBondContact CB-O 3.26Å; N24-N70 WeakPolarHBondContact CB-OD1 3.47Å; N24-N70 PolarHBondContact N-O 2.94Å; N24-N70 PolarHBondContact ND2-OD1 3.47Å; N24-S72 PolarHBondContact ND2-N 2.72Å; N24-S72 PolarHBondContact ND2-OG 3.18Å
25W98.6Very high97.3Very high83 Ų8363.1 Ų63.131%0.31431%0.312SS..EExtended strand (participates in β ladder)trans-162.2161.8176.553.5-98000110.9N27 G40 T41 E68 N70 T110W25-N27 WeakPolarHBondContact CZ3-ND2 3.44Å; W25-G40 CarbonylContact C-O 3.47Å; W25-G40 VanDerWaalsContact CA-O 3.25Å; W25-G40 WeakPolarHBondContact CA-O 3.45Å; W25-G40 WeakPolarHBondContact CB-O 3.46Å; W25-T41 HydrophobicContact CB-CG2 4.37Å; W25-E68 HydrophobicContact CH2-CB 4.49Å; W25-E68 HydrophobicContact CZ3-CB 3.95Å; W25-N70 HydrophobicContact CD2-CB 3.38Å; W25-N70 HydrophobicContact CE3-CB 3.87Å; W25-N70 HydrophobicContact CG-CB 3.87Å; W25-N70 HydrophobicContact CH2-CB 3.81Å; W25-N70 HydrophobicContact CZ2-CB 3.32Å; W25-N70 HydrophobicContact CZ3-CB 4.05Å; W25-N70 PolarHBondContact N-O 2.82Å; W25-N70 VanDerWaalsContact NE1-CB 3.3Å; W25-N70 VanDerWaalsContact NE1-CG 3.33Å; W25-N70 PolarHBondContact NE1-OD1 2.87Å; W25-N70 PolarHBondContact O-N 2.89Å; W25-T110 HydrophobicContact CH2-CG2 3.86Å
26M98.3Very high97.4Very high30 Ų3060 Ų6015%0.14830%0.303CS..EExtended strand (participates in β ladder)trans-138.4144.8172.5178.9171.769.300110.1W38 Q39 G40 L44 R67 E68 L69M26-W38 HydrophobicContact CB-CH2 4.44Å; M26-W38 HydrophobicContact CB-CZ3 3.88Å; M26-W38 HydrophobicContact CE-CE3 4.22Å; M26-W38 HydrophobicContact CE-CH2 3.54Å; M26-W38 HydrophobicContact CE-CZ3 3.26Å; M26-W38 HydrophobicContact CG-CZ3 3.85Å; M26-W38 HydrophobicContact SD-CZ3 4.36Å; M26-Q39 CarbonylContact O-C 3.58Å; M26-Q39 WeakPolarHBondContact O-CA 3.25Å; M26-G40 PolarHBondContact N-O 3.18Å; M26-G40 PolarHBondContact O-N 3.17Å; M26-L44 HydrophobicContact CE-CD1 3.56Å; M26-R67 HydrophobicContact CG-CG 4.19Å; M26-R67 HydrophobicContact SD-CG 4.12Å; M26-E68 CarbonylContact C-O 3.56Å; M26-E68 VanDerWaalsContact CA-O 3.27Å; M26-E68 WeakPolarHBondContact CA-O 3.28Å; M26-L69 HydrophobicContact CB-CD2 3.93Å; M26-L69 HydrophobicContact CG-CD2 3.58Å; M26-L69 HydrophobicContact SD-CD2 3.35Å; M26-L69 WeakPolarHBondContact SD-CD2 3.36Å
27N97.7Very high97.4Very high5 Ų556 Ų563%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-131.9153.8166.175.669000112.6W25 R29 W38 Q39 R67 E68W25-N27 WeakPolarHBondContact CZ3-ND2 3.44Å; N27-R29 PolarHBondContact OD1-NE 2.88Å; N27-W38 WeakPolarHBondContact CA-O 3.18Å; N27-Q39 HydrophobicContact CB-CB 4.46Å; N27-Q39 HydrophobicContact CB-CG 3.8Å; N27-R67 WeakPolarHBondContact O-CA 3.38Å; N27-E68 PolarHBondContact N-O 3.31Å; N27-E68 PolarHBondContact ND2-OE2 3.08Å; N27-E68 PolarHBondContact O-N 3.39Å
28L98.1Very high97.4Very high22 Ų2257.6 Ų57.612%0.11529%0.29CS..EExtended strand (participates in β ladder)trans-123.3129.5174.9-59.3175.1000108.6L37 W38 V55 I59 V65 S66 R67L28-L37 PolarHBondContact O-N 2.82Å; L28-W38 HydrophobicContact CB-CB 4.28Å; L28-W38 HydrophobicContact CD1-CB 4.31Å; L28-W38 HydrophobicContact CD1-CD2 4.48Å; L28-W38 HydrophobicContact CD1-CE3 4.06Å; L28-W38 HydrophobicContact CG-CE3 3.98Å; L28-W38 PolarHBondContact N-O 3.27Å; L28-W38 PolarHBondContact O-N 2.83Å; L28-V55 HydrophobicContact CD1-CG1 4.37Å; L28-I59 HydrophobicContact CB-CD1 4.43Å; L28-I59 HydrophobicContact CD1-CD1 3.86Å; L28-V65 HydrophobicContact CB-CG1 3.92Å; L28-V65 HydrophobicContact CD2-CG1 3.93Å; L28-V65 HydrophobicContact CG-CG1 4.41Å; L28-S66 WeakPolarHBondContact CA-O 3.38Å; L28-R67 HydrophobicContact CD2-CB 3.76Å; L28-R67 HydrophobicContact CD2-CG 3.76Å
29R98Very high97.4Very high74 Ų7461.4 Ų61.428%0.27931%0.307SS..EExtended strand (participates in β ladder)trans-124.7147.9178.3-65.2169.6-175-89.40.4109.9N27 A31 G34 K35 V36 V65 S66N27-R29 PolarHBondContact OD1-NE 2.88Å; R29-A31 PolarHBondContact O-N 2.94Å; R29-G34 PolarHBondContact NH1-O 3.36Å; R29-G34 VanDerWaalsContact NH1-O 3.15Å; R29-K35 CarbonylContact C-O 3.53Å; R29-K35 VanDerWaalsContact CA-O 3.24Å; R29-K35 WeakPolarHBondContact CA-O 3.43Å; R29-V36 HydrophobicContact CG-CG2 4.25Å; R29-V65 CarbonylContact O-C 3.58Å; R29-V65 WeakPolarHBondContact O-CA 3.48Å; R29-V65 WeakPolarHBondContact O-CG1 3.41Å; R29-S66 PolarHBondContact N-O 2.81Å; R29-S66 PolarHBondContact O-N 3.33Å
30D96.9Very high97.4Very high27 Ų2753 Ų5314%0.14428%0.275CS..EExtended strand (participates in β ladder)trans-62.9123163.1-179.7-59000108.3E32 T33 G34 K35 L37 C62D30-E32 VanDerWaalsContact C-N 3.31Å; D30-E32 PolarHBondContact O-N 2.91Å; D30-E32 PolarHBondContact OD1-N 3.18Å; D30-T33 VanDerWaalsContact CB-OG1 3.31Å; D30-T33 WeakPolarHBondContact CB-OG1 3.34Å; D30-T33 VanDerWaalsContact CG-OG1 3.24Å; D30-T33 PolarHBondContact OD1-N 2.91Å; D30-T33 PolarHBondContact OD1-OG1 2.89Å; D30-G34 VanDerWaalsContact O-CA 3.27Å; D30-G34 WeakPolarHBondContact O-CA 3.38Å; D30-G34 PolarHBondContact O-N 2.89Å; D30-K35 PolarHBondContact N-O 2.94Å; D30-L37 HydrophobicContact CB-CD1 4.13Å; D30-L37 HydrophobicContact CB-CD2 4.42Å; D30-L37 HydrophobicContact CB-CG 4.36Å; D30-C62 PolarHBondContact OD2-SG 2.84Å
31A95.8Very high97.3Very high42 Ų4257.4 Ų57.435%0.34730%0.299SS..THydrogen-bonded Turntrans-71.1-24.8-17300000113.4R29 A64 L114R29-A31 PolarHBondContact O-N 2.94Å; A31-A64 HydrophobicContact CB-CB 3.84Å; A31-A64 VanDerWaalsContact CB-O 3.31Å; A31-A64 WeakPolarHBondContact CB-O 3.24Å; A31-A64 PolarHBondContact N-O 3.21Å; A31-L114 HydrophobicContact CB-CD1 3.61Å
32E94.4Very high97.2Very high125 Ų12563 Ų6358%0.58433%0.326SS*.THydrogen-bonded Turntrans-80.4-39.5178.9-64.3-172.6162.200111.1D30 K63D30-E32 VanDerWaalsContact C-N 3.31Å; D30-E32 PolarHBondContact O-N 2.91Å; D30-E32 PolarHBondContact OD1-N 3.18Å; E32-K63 VanDerWaalsContact OE1-CD 3.26Å; E32-K63 WeakPolarHBondContact OE1-CD 3.21Å; E32-K63 WeakPolarHBondContact OE1-CE 3.43Å; E32-K63 IonicContact OE1-NZ 3.75Å; E32-K63 PolarHBondContact OE1-NZ 2.96Å; E32-K63 IonicContact OE2-NZ 2.7Å
33T95.7Very high97.2Very high95 Ų9558.7 Ų58.758%0.58331%0.308SS*.THydrogen-bonded Turntrans-103.6-14.4-172.464.40000114.4D30 K35D30-T33 VanDerWaalsContact CB-OG1 3.31Å; D30-T33 WeakPolarHBondContact CB-OG1 3.34Å; D30-T33 VanDerWaalsContact CG-OG1 3.24Å; D30-T33 PolarHBondContact OD1-N 2.91Å; D30-T33 PolarHBondContact OD1-OG1 2.89Å; T33-K35 PolarHBondContact O-N 2.87Å; T33-K35 WeakPolarHBondContact OG1-CB 3.47Å; T33-K35 PolarHBondContact OG1-N 2.91Å
34G94.7Very high97.1Very high37 Ų3758.9 Ų58.938%0.38131%0.309SS..  trans70.31.5-173.400000114.5R29 D30 V36R29-G34 PolarHBondContact NH1-O 3.36Å; R29-G34 VanDerWaalsContact NH1-O 3.15Å; D30-G34 VanDerWaalsContact O-CA 3.27Å; D30-G34 WeakPolarHBondContact O-CA 3.38Å; D30-G34 PolarHBondContact O-N 2.89Å; G34-V36 PolarHBondContact O-N 2.94Å
35K96.6Very high97Very high128 Ų12857.1 Ų57.156%0.55730%0.3SS*.  trans-66.7128.7-176.9-177.1176.3-175171.70110.6R29 D30 T33 L37R29-K35 CarbonylContact C-O 3.53Å; R29-K35 VanDerWaalsContact CA-O 3.24Å; R29-K35 WeakPolarHBondContact CA-O 3.43Å; D30-K35 PolarHBondContact N-O 2.94Å; T33-K35 PolarHBondContact O-N 2.87Å; T33-K35 WeakPolarHBondContact OG1-CB 3.47Å; T33-K35 PolarHBondContact OG1-N 2.91Å; K35-L37 PolarHBondContact O-N 2.93Å
36V97Very high96.8Very high51 Ų5157.1 Ų57.131%0.30931%0.305SS..EExtended strand (participates in β ladder)trans-63.3126172.7-176.80000110R29 G34 Q39R29-V36 HydrophobicContact CG-CG2 4.25Å; G34-V36 PolarHBondContact O-N 2.94Å; V36-Q39 HydrophobicContact CG1-CG 3.53Å
37L97.7Very high96.8Very high18 Ų1858.2 Ų58.29%0.09432%0.315CS..EExtended strand (participates in β ladder)trans-102.1-40.6175.9-59.1175.1000110.7L28 D30 K35 P56 K58 I59 C62L28-L37 PolarHBondContact O-N 2.82Å; D30-L37 HydrophobicContact CB-CD1 4.13Å; D30-L37 HydrophobicContact CB-CD2 4.42Å; D30-L37 HydrophobicContact CB-CG 4.36Å; K35-L37 PolarHBondContact O-N 2.93Å; L37-P56 HydrophobicContact CB-CG 4.24Å; L37-P56 VanDerWaalsContact O-CD 3.27Å; L37-P56 WeakPolarHBondContact O-CD 3.32Å; L37-P56 WeakPolarHBondContact O-CG 3.33Å; L37-K58 HydrophobicContact CD2-CD 3.96Å; L37-K58 HydrophobicContact CD2-CG 4.14Å; L37-I59 HydrophobicContact CD1-CB 4.18Å; L37-I59 HydrophobicContact CD1-CD1 4.24Å; L37-I59 HydrophobicContact CD1-CG1 3.8Å; L37-C62 VanDerWaalsContact CD1-SG 3.59Å
38W98.2Very high96.6Very high36 Ų3662.1 Ų62.114%0.13636%0.356CS..EExtended strand (participates in β ladder)trans-153.5150.2-177.5178.787.7000111M26 N27 L28 L44 A53 R54 V55M26-W38 HydrophobicContact CB-CH2 4.44Å; M26-W38 HydrophobicContact CB-CZ3 3.88Å; M26-W38 HydrophobicContact CE-CE3 4.22Å; M26-W38 HydrophobicContact CE-CH2 3.54Å; M26-W38 HydrophobicContact CE-CZ3 3.26Å; M26-W38 HydrophobicContact CG-CZ3 3.85Å; M26-W38 HydrophobicContact SD-CZ3 4.36Å; N27-W38 WeakPolarHBondContact CA-O 3.18Å; L28-W38 HydrophobicContact CB-CB 4.28Å; L28-W38 HydrophobicContact CD1-CB 4.31Å; L28-W38 HydrophobicContact CD1-CD2 4.48Å; L28-W38 HydrophobicContact CD1-CE3 4.06Å; L28-W38 HydrophobicContact CG-CE3 3.98Å; L28-W38 PolarHBondContact N-O 3.27Å; L28-W38 PolarHBondContact O-N 2.83Å; W38-L44 HydrophobicContact CH2-CD1 4.27Å; W38-A53 HydrophobicContact CZ2-CB 4.16Å; W38-R54 PolarHBondContact NE1-O 3.03Å; W38-V55 HydrophobicContact CB-CG1 4.19Å; W38-V55 HydrophobicContact CD2-CG1 4.35Å; W38-V55 HydrophobicContact CG-CG1 3.84Å
39Q97.8Very high96.5Very high126 Ų12665 Ų6559%0.58937%0.374SS*.EExtended strand (participates in β ladder)trans-142.6147.2172.2-56.9-175.8-85.100109.1M26 N27 V36M26-Q39 CarbonylContact O-C 3.58Å; M26-Q39 WeakPolarHBondContact O-CA 3.25Å; N27-Q39 HydrophobicContact CB-CB 4.46Å; N27-Q39 HydrophobicContact CB-CG 3.8Å; V36-Q39 HydrophobicContact CG1-CG 3.53Å
40G96.9Very high96.5Very high17 Ų1765.5 Ų65.518%0.17538%0.38CS..EExtended strand (participates in β ladder)trans-149.6151.2174.500000111.4W25 M26W25-G40 CarbonylContact C-O 3.47Å; W25-G40 VanDerWaalsContact CA-O 3.25Å; W25-G40 WeakPolarHBondContact CA-O 3.45Å; W25-G40 WeakPolarHBondContact CB-O 3.46Å; M26-G40 PolarHBondContact N-O 3.18Å; M26-G40 PolarHBondContact O-N 3.17Å
41T97.6Very high96.5Very high109 Ų10965.5 Ų65.567%0.66938%0.379SS*.  trans-117.43.8-18054.80000112.5W25W25-T41 HydrophobicContact CB-CG2 4.37Å
42E96.3Very high96.6Very high136 Ų13668.4 Ų68.464%0.63639%0.385SS*.SBendtrans-73.1145.3175.7-58.9-56.714600110.4L44E42-L44 HydrophobicContact CB-CD2 4.17Å; E42-L44 PolarHBondContact O-N 2.91Å
43D97.4Very high96.8Very high24 Ų2462.8 Ų62.813%0.12836%0.36CS..  trans-80.587.3174.9-170.1-7.9000110.6L23 S45 L46 H51L23-D43 VanDerWaalsContact CB-OD1 3.31Å; L23-D43 WeakPolarHBondContact CB-OD1 3.49Å; L23-D43 PolarHBondContact N-OD1 2.77Å; L23-D43 VanDerWaalsContact N-OD1 3.17Å; D43-S45 PolarHBondContact O-N 3.03Å; D43-S45 VanDerWaalsContact OD1-CB 3.31Å; D43-S45 WeakPolarHBondContact OD1-CB 3.45Å; D43-S45 PolarHBondContact OD1-N 3.22Å; D43-S45 PolarHBondContact OD1-OG 3.19Å; D43-L46 HydrophobicContact CB-CD1 4.19Å; D43-L46 HydrophobicContact CB-CG 4.13Å; D43-L46 PolarHBondContact O-N 2.8Å; D43-H51 PolarHBondContact O-CE1 3.04Å; D43-H51 VanDerWaalsContact O-CE1 3.22Å
44L96.9Very high96.9Very high15 Ų1565.3 Ų65.38%0.07936%0.359CS..THydrogen-bonded Turntrans-73.82.1179.3-55.8178000113.4L23 M26 W38 E42 H51 S149 V151L23-L44 HydrophobicContact CD2-CB 3.92Å; L23-L44 HydrophobicContact CD2-CG 4.43Å; M26-L44 HydrophobicContact CE-CD1 3.56Å; W38-L44 HydrophobicContact CH2-CD1 4.27Å; E42-L44 HydrophobicContact CB-CD2 4.17Å; E42-L44 PolarHBondContact O-N 2.91Å; L44-H51 HydrophobicContact CD2-CB 3.61Å; L44-S149 WeakPolarHBondContact O-CB 3.44Å; L44-S149 PolarHBondContact O-OG 3.49Å; L44-V151 HydrophobicContact CB-CG2 4.17Å; L44-V151 HydrophobicContact CD1-CG2 4.36Å; L44-V151 HydrophobicContact CD2-CG2 4.31Å
45S95.9Very high97Very high0 Ų063.8 Ų63.80%034%0.343CS..THydrogen-bonded Turntrans-84.9-14.5175.176.60000113.3D43D43-S45 PolarHBondContact O-N 3.03Å; D43-S45 VanDerWaalsContact OD1-CB 3.31Å; D43-S45 WeakPolarHBondContact OD1-CB 3.45Å; D43-S45 PolarHBondContact OD1-N 3.22Å; D43-S45 PolarHBondContact OD1-OG 3.19Å
46L95.9Very high97Very high83 Ų8359.1 Ų59.144%0.43533%0.325SS..  trans-65.5125.9-176.2-63.9177000111.5D43 H51D43-L46 HydrophobicContact CB-CD1 4.19Å; D43-L46 HydrophobicContact CB-CG 4.13Å; D43-L46 PolarHBondContact O-N 2.8Å; L46-H51 PolarHBondContact O-NE2 2.69Å
47P97.1Very high96.9Very high52 Ų5261.6 Ų61.634%0.33833%0.332SS..SBendtrans-80.1171.9175.434.2-36.2000111.8L18 V49 T148L18-P47 HydrophobicContact CD2-CG 3.89Å; P47-V49 PolarHBondContact O-N 3.45Å; P47-T148 WeakPolarHBondContact CA-O 3.44Å; P47-T148 VanDerWaalsContact CB-O 3.25Å; P47-T148 WeakPolarHBondContact CB-O 3.36Å
48G94.6Very high96.7Very high87 Ų8764.8 Ų64.890%0.89735%0.345SS*.SBendtrans77.4-517200000115.5
49V94.8Very high96.5Very high83 Ų8364.1 Ų64.150%0.50334%0.344SS..SBendtrans-124.7152.2171-59.90000110.1P47 H51P47-V49 PolarHBondContact O-N 3.45Å; V49-H51 VanDerWaalsContact CG2-CE1 3.46Å; V49-H51 WeakPolarHBondContact CG2-CE1 3.25Å; V49-H51 WeakPolarHBondContact CG2-NE2 3.41Å
50E97.4Very high96.3Very high85 Ų8560 Ų6040%0.39733%0.325SS..EExtended strand (participates in β ladder)trans-97.6112167.8-169.4177.48600108.4R150 R152E50-R150 HydrophobicContact CG-CB 4.48Å; E50-R152 HydrophobicContact CG-CB 4.33Å; E50-R152 IonicContact OE1-CZ 3.14Å; E50-R152 IonicContact OE1-NE 2.69Å; E50-R152 PolarHBondContact OE1-NE 2.59Å; E50-R152 IonicContact OE1-NH2 2.77Å; E50-R152 PolarHBondContact OE1-NH2 3.28Å; E50-R152 IonicContact OE2-CZ 3.76Å; E50-R152 IonicContact OE2-NE 3.98Å; E50-R152 IonicContact OE2-NH2 2.86Å; E50-R152 PolarHBondContact OE2-NH2 3.31Å
51H98.1Very high96Very high26 Ų2667.9 Ų67.912%0.1236%0.355CS..EExtended strand (participates in β ladder)trans-77.2161.7178.4-58.3-84.7000110.9D43 L44 L46 V49 R150 V151 R152D43-H51 PolarHBondContact O-CE1 3.04Å; D43-H51 VanDerWaalsContact O-CE1 3.22Å; L44-H51 HydrophobicContact CD2-CB 3.61Å; L46-H51 PolarHBondContact O-NE2 2.69Å; V49-H51 VanDerWaalsContact CG2-CE1 3.46Å; V49-H51 WeakPolarHBondContact CG2-CE1 3.25Å; V49-H51 WeakPolarHBondContact CG2-NE2 3.41Å; H51-R150 PolarHBondContact CD2-O 3.08Å; H51-R150 PolarHBondContact N-O 3.37Å; H51-V151 HydrophobicContact CB-CB 4.42Å; H51-V151 HydrophobicContact CB-CG1 4.24Å; H51-V151 HydrophobicContact CB-CG2 4.12Å; H51-V151 CarbonylContact O-C 3.59Å; H51-V151 WeakPolarHBondContact O-CA 3.43Å; H51-R152 PolarHBondContact O-N 3.21Å
52E98.1Very high95.7Very high103 Ų10363 Ų6348%0.48133%0.325SS..EExtended strand (participates in β ladder)trans-118.7140.6172.2-60.7-167.5154.400111.3R54 R152 F154E52-R54 IonicContact OE2-CZ 3.59Å; E52-R54 IonicContact OE2-NH1 2.72Å; E52-R54 IonicContact OE2-NH2 2.8Å; E52-R54 PolarHBondContact OE2-NH2 3.37Å; E52-R152 WeakPolarHBondContact CA-O 3.39Å; E52-F154 HydrophobicContact CB-CD2 4.44Å; E52-F154 HydrophobicContact CB-CE2 4.17Å; E52-F154 HydrophobicContact CG-CE2 3.88Å
53A97.6Very high95.5Very high7 Ų763.5 Ų63.56%0.05833%0.325CS..EExtended strand (participates in β ladder)trans-130.1126.3167.100000110.7W38 V151 R152 L153 F154W38-A53 HydrophobicContact CZ2-CB 4.16Å; A53-V151 HydrophobicContact CB-CG1 3.84Å; A53-R152 PolarHBondContact N-O 2.76Å; A53-L153 HydrophobicContact CB-CD2 3.88Å; A53-F154 PolarHBondContact O-N 3.18Å
54R97.7Very high95.4Very high149 Ų14963 Ų6356%0.56233%0.325SS*.EExtended strand (participates in β ladder)trans-99.8101.3176-61.5-173.7173.285.816.7109.4W38 E52 F154 V156W38-R54 PolarHBondContact NE1-O 3.03Å; E52-R54 IonicContact OE2-CZ 3.59Å; E52-R54 IonicContact OE2-NH1 2.72Å; E52-R54 IonicContact OE2-NH2 2.8Å; E52-R54 PolarHBondContact OE2-NH2 3.37Å; R54-F154 CarbonylContact C-O 3.57Å; R54-F154 WeakPolarHBondContact CA-O 3.15Å; R54-F154 HydrophobicContact CG-CB 4.14Å; R54-V156 HydrophobicContact CB-CG1 4.41Å; R54-V156 HydrophobicContact CB-CG2 4.27Å
55V96.9Very high95.4Very high5 Ų563.2 Ų63.23%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-106.1147.8-176.7-63.50000110.6L28 W38 I59 F154 Y155 V156L28-V55 HydrophobicContact CD1-CG1 4.37Å; W38-V55 HydrophobicContact CB-CG1 4.19Å; W38-V55 HydrophobicContact CD2-CG1 4.35Å; W38-V55 HydrophobicContact CG-CG1 3.84Å; V55-I59 HydrophobicContact CG2-CG2 4.17Å; V55-F154 PolarHBondContact N-O 2.57Å; V55-Y155 HydrophobicContact CG2-CD1 3.65Å; V55-Y155 HydrophobicContact CG2-CE1 3.8Å; V55-Y155 HydrophobicContact CG2-CG 4.32Å; V55-Y155 CarbonylContact O-C 3.52Å; V55-Y155 WeakPolarHBondContact O-CA 3.11Å; V55-V156 PolarHBondContact O-N 3.02Å
56P96.8Very high95.4Very high29 Ų2963.8 Ų63.819%0.18833%0.33CS..  trans-73.9138.6-177.532.8-37.9000111L37 K58 I59 V156L37-P56 HydrophobicContact CB-CG 4.24Å; L37-P56 VanDerWaalsContact O-CD 3.27Å; L37-P56 WeakPolarHBondContact O-CD 3.32Å; L37-P56 WeakPolarHBondContact O-CG 3.33Å; P56-K58 HydrophobicContact CB-CD 4.5Å; P56-K58 HydrophobicContact CB-CG 4Å; P56-K58 HydrophobicContact CG-CG 4.06Å; P56-K58 PolarHBondContact O-N 3.35Å; P56-I59 WeakPolarHBondContact O-CB 3.45Å; P56-I59 WeakPolarHBondContact O-CG2 3.44Å; P56-I59 PolarHBondContact O-N 2.98Å; P56-V156 WeakPolarHBondContact CA-O 3.49Å
57K95Very high95.5Very high103 Ų10360.2 Ų60.245%0.44831%0.311SS..G310 helixtrans-50.5-30.3-178.9-69.4167.6-176.8140.50114.9I59 L60 A126 Y155 V156K57-I59 PolarHBondContact O-N 2.85Å; K57-I59 VanDerWaalsContact O-N 3.14Å; K57-L60 WeakPolarHBondContact O-CB 3.17Å; K57-L60 PolarHBondContact O-N 3.15Å; K57-A126 HydrophobicContact CB-CB 4.28Å; K57-A126 HydrophobicContact CD-CB 4.16Å; K57-A126 HydrophobicContact CG-CB 3.76Å; K57-Y155 VanDerWaalsContact CE-O 3.25Å; K57-Y155 WeakPolarHBondContact CE-O 3.24Å; K57-V156 WeakPolarHBondContact CE-OXT 3.46Å; K57-V156 WeakPolarHBondContact CG-O 3.27Å; K57-V156 PolarHBondContact N-O 3.12Å; K57-V156 PolarHBondContact NZ-OXT 2.87Å
58K93.8Very high95.6Very high85 Ų8559.7 Ų59.737%0.3730%0.304SS..G310 helixtrans-59.2-20.6177.864.8178.9172.2168.70113.6L37 P56 L60 K61L37-K58 HydrophobicContact CD2-CD 3.96Å; L37-K58 HydrophobicContact CD2-CG 4.14Å; P56-K58 HydrophobicContact CB-CD 4.5Å; P56-K58 HydrophobicContact CB-CG 4Å; P56-K58 HydrophobicContact CG-CG 4.06Å; P56-K58 PolarHBondContact O-N 3.35Å; K58-L60 PolarHBondContact O-N 3.36Å; K58-K61 WeakPolarHBondContact O-CB 3.27Å; K58-K61 PolarHBondContact O-N 3.47Å
59I94.5Very high95.7Very high22 Ų2256.1 Ų56.111%0.11327%0.265CS..G310 helixtrans-59.6-31176.3-164.9165.5000112.2L28 L37 V55 P56 K57 K61 C62 V65 Y155L28-I59 HydrophobicContact CB-CD1 4.43Å; L28-I59 HydrophobicContact CD1-CD1 3.86Å; L37-I59 HydrophobicContact CD1-CB 4.18Å; L37-I59 HydrophobicContact CD1-CD1 4.24Å; L37-I59 HydrophobicContact CD1-CG1 3.8Å; V55-I59 HydrophobicContact CG2-CG2 4.17Å; P56-I59 WeakPolarHBondContact O-CB 3.45Å; P56-I59 WeakPolarHBondContact O-CG2 3.44Å; P56-I59 PolarHBondContact O-N 2.98Å; K57-I59 PolarHBondContact O-N 2.85Å; K57-I59 VanDerWaalsContact O-N 3.14Å; I59-K61 PolarHBondContact O-N 3.05Å; I59-C62 WeakPolarHBondContact O-CB 3.43Å; I59-C62 PolarHBondContact O-N 3.38Å; I59-V65 HydrophobicContact CD1-CG1 4.36Å; I59-V65 HydrophobicContact CD1-CG2 4.18Å; I59-V65 HydrophobicContact CG1-CG2 3.75Å; I59-Y155 HydrophobicContact CG2-CD1 3.98Å; I59-Y155 HydrophobicContact CG2-CE1 3.86Å
60L91.9Very high95.9Very high39 Ų3953 Ų5320%0.20425%0.245CC..G310 helixtrans-70-9.4177.7-63.1171.2000113.3K57 K58 M123 A126 L129 Y155K57-L60 WeakPolarHBondContact O-CB 3.17Å; K57-L60 PolarHBondContact O-N 3.15Å; K58-L60 PolarHBondContact O-N 3.36Å; L60-M123 HydrophobicContact CB-CE 4.02Å; L60-M123 HydrophobicContact CD2-CE 3.7Å; L60-M123 HydrophobicContact CG-CE 4.49Å; L60-M123 WeakPolarHBondContact O-CE 3.35Å; L60-A126 HydrophobicContact CD1-CB 3.66Å; L60-L129 HydrophobicContact CD1-CD1 3.89Å; L60-L129 HydrophobicContact CD2-CD1 3.76Å; L60-Y155 HydrophobicContact CD1-CD1 3.81Å; L60-Y155 HydrophobicContact CD1-CE1 4.05Å; L60-Y155 HydrophobicContact CD1-CG 4.21Å; L60-Y155 HydrophobicContact CD2-CD1 4.11Å; L60-Y155 HydrophobicContact CD2-CE1 3.48Å; L60-Y155 VanDerWaalsContact CD2-CE1 3.48Å; L60-Y155 HydrophobicContact CG-CD1 3.84Å; L60-Y155 HydrophobicContact CG-CE1 3.73Å
61K91.1Very high96Very high183 Ų18349 Ų4980%0.79623%0.226SC*.G310 helixtrans-98.6-7.4176.8-57.6-173.8175.5-171.10112.6K58 I59K58-K61 WeakPolarHBondContact O-CB 3.27Å; K58-K61 PolarHBondContact O-N 3.47Å; I59-K61 PolarHBondContact O-N 3.05Å
62C92.5Very high96Very high7 Ų749.1 Ų49.15%0.04723%0.23CC..  trans-74133.8178.5-63.10000108.9D30 L37 I59 A64 V65 A117D30-C62 PolarHBondContact OD2-SG 2.84Å; L37-C62 VanDerWaalsContact CD1-SG 3.59Å; I59-C62 WeakPolarHBondContact O-CB 3.43Å; I59-C62 PolarHBondContact O-N 3.38Å; C62-A64 VanDerWaalsContact C-N 3.25Å; C62-A64 PolarHBondContact O-N 3.34Å; C62-V65 HydrophobicContact CB-CG2 4.05Å; C62-A117 VanDerWaalsContact O-CB 3.28Å; C62-A117 WeakPolarHBondContact O-CB 3.24Å
63K91.5Very high96.1Very high147 Ų14744.3 Ų44.364%0.63921%0.207SC*.SBendtrans-66.9-32.9172-60.3-163.1-160.5123.50112.1E32 A117E32-K63 VanDerWaalsContact OE1-CD 3.26Å; E32-K63 WeakPolarHBondContact OE1-CD 3.21Å; E32-K63 WeakPolarHBondContact OE1-CE 3.43Å; E32-K63 IonicContact OE1-NZ 3.75Å; E32-K63 PolarHBondContact OE1-NZ 2.96Å; E32-K63 IonicContact OE2-NZ 2.7Å; K63-A117 WeakPolarHBondContact O-CB 3.33Å; K63-A117 PolarHBondContact O-N 3.03Å
64A94.7Very high96.1Very high14 Ų1446.4 Ų46.412%0.11622%0.222CC..EExtended strand (participates in β ladder)trans-149.3152171.500000110.2A31 C62 L114 I115A31-A64 HydrophobicContact CB-CB 3.84Å; A31-A64 VanDerWaalsContact CB-O 3.31Å; A31-A64 WeakPolarHBondContact CB-O 3.24Å; A31-A64 PolarHBondContact N-O 3.21Å; C62-A64 VanDerWaalsContact C-N 3.25Å; C62-A64 PolarHBondContact O-N 3.34Å; A64-L114 HydrophobicContact CB-CD1 3.86Å; A64-L114 HydrophobicContact CB-CG 4.27Å; A64-I115 CarbonylContact C-O 3.59Å; A64-I115 WeakPolarHBondContact CA-O 3.48Å; A64-I115 WeakPolarHBondContact CB-O 3.23Å
65V96.6Very high96.2Very high18 Ų1842.1 Ų42.111%0.10921%0.208CC..EExtended strand (participates in β ladder)trans-114.6124.3176178.30000108.1L28 R29 I59 C62 I115L28-V65 HydrophobicContact CB-CG1 3.92Å; L28-V65 HydrophobicContact CD2-CG1 3.93Å; L28-V65 HydrophobicContact CG-CG1 4.41Å; R29-V65 CarbonylContact O-C 3.58Å; R29-V65 WeakPolarHBondContact O-CA 3.48Å; R29-V65 WeakPolarHBondContact O-CG1 3.41Å; I59-V65 HydrophobicContact CD1-CG1 4.36Å; I59-V65 HydrophobicContact CD1-CG2 4.18Å; I59-V65 HydrophobicContact CG1-CG2 3.75Å; C62-V65 HydrophobicContact CB-CG2 4.05Å; V65-I115 PolarHBondContact N-O 3.18Å; V65-I115 PolarHBondContact O-N 3.07Å
66S97.5Very high96.2Very high12 Ų1245.7 Ų45.78%0.08422%0.223CC..EExtended strand (participates in β ladder)trans-83.9123.7167.6-177.10000108.6L28 R29 Q112L28-S66 WeakPolarHBondContact CA-O 3.38Å; R29-S66 PolarHBondContact N-O 2.81Å; R29-S66 PolarHBondContact O-N 3.33Å; S66-Q112 PolarHBondContact OG-NE2 3.19Å
67R98.1Very high96.3Very high8 Ų844.3 Ų44.33%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-107.8132.6176.2178.6-178.269.9-161.4-0.6109.3M26 N27 L28 L69 F98 Q112 S113 I115M26-R67 HydrophobicContact CG-CG 4.19Å; M26-R67 HydrophobicContact SD-CG 4.12Å; N27-R67 WeakPolarHBondContact O-CA 3.38Å; L28-R67 HydrophobicContact CD2-CB 3.76Å; L28-R67 HydrophobicContact CD2-CG 3.76Å; R67-L69 HydrophobicContact CG-CD2 4.37Å; R67-L69 HydrophobicContact CG-CG 4.25Å; R67-F98 VanDerWaalsContact NH2-CD2 3.31Å; R67-Q112 CarbonylContact O-C 3.58Å; R67-Q112 VanDerWaalsContact O-CA 3.25Å; R67-Q112 WeakPolarHBondContact O-CA 3.43Å; R67-S113 PolarHBondContact N-O 3.19Å; R67-S113 PolarHBondContact NH2-OG 3.45Å; R67-S113 PolarHBondContact O-N 3.07Å; R67-I115 HydrophobicContact CB-CD1 4.31Å
68E98.3Very high96.5Very high41 Ų4144.6 Ų44.619%0.19222%0.217CC..EExtended strand (participates in β ladder)trans-114.8125.6165.8-68.2172.4177.400109.3W25 M26 N27 W111 Q112W25-E68 HydrophobicContact CH2-CB 4.49Å; W25-E68 HydrophobicContact CZ3-CB 3.95Å; M26-E68 CarbonylContact C-O 3.56Å; M26-E68 VanDerWaalsContact CA-O 3.27Å; M26-E68 WeakPolarHBondContact CA-O 3.28Å; N27-E68 PolarHBondContact N-O 3.31Å; N27-E68 PolarHBondContact ND2-OE2 3.08Å; N27-E68 PolarHBondContact O-N 3.39Å; E68-W111 CarbonylContact C-O 3.51Å; E68-W111 WeakPolarHBondContact CA-O 3.32Å; E68-Q112 HydrophobicContact CG-CB 4.26Å; E68-Q112 HydrophobicContact CG-CG 4.07Å
69L98.1Very high96.7Very high13 Ų1344.4 Ų44.47%0.06822%0.216CC..EExtended strand (participates in β ladder)trans-106136.4170.6-62.7171.6000108.2L23 M26 R67 L82 T110 W111L23-L69 HydrophobicContact CD1-CB 4.06Å; L23-L69 HydrophobicContact CD1-CD2 3.85Å; L23-L69 HydrophobicContact CD1-CG 4.49Å; L23-L69 HydrophobicContact CD2-CD2 4.37Å; M26-L69 HydrophobicContact CB-CD2 3.93Å; M26-L69 HydrophobicContact CG-CD2 3.58Å; M26-L69 HydrophobicContact SD-CD2 3.35Å; M26-L69 WeakPolarHBondContact SD-CD2 3.36Å; R67-L69 HydrophobicContact CG-CD2 4.37Å; R67-L69 HydrophobicContact CG-CG 4.25Å; L69-L82 HydrophobicContact CD1-CD1 3.88Å; L69-T110 CarbonylContact O-C 3.58Å; L69-T110 WeakPolarHBondContact O-CA 3.28Å; L69-W111 HydrophobicContact CD1-CE3 3.89Å; L69-W111 HydrophobicContact CD1-CZ3 4.28Å; L69-W111 PolarHBondContact N-O 3.32Å; L69-W111 PolarHBondContact O-N 3.19Å
70N98.8Very high96.9Very high17 Ų1743.6 Ų43.69%0.09121%0.212CC..EExtended strand (participates in β ladder)trans-117.2126.3164.5-175.5-88.1000109.6L23 N24 W25 T108 N109 T110L23-N70 WeakPolarHBondContact CD1-O 3.43Å; N24-N70 WeakPolarHBondContact CB-O 3.26Å; N24-N70 WeakPolarHBondContact CB-OD1 3.47Å; N24-N70 PolarHBondContact N-O 2.94Å; N24-N70 PolarHBondContact ND2-OD1 3.47Å; W25-N70 HydrophobicContact CD2-CB 3.38Å; W25-N70 HydrophobicContact CE3-CB 3.87Å; W25-N70 HydrophobicContact CG-CB 3.87Å; W25-N70 HydrophobicContact CH2-CB 3.81Å; W25-N70 HydrophobicContact CZ2-CB 3.32Å; W25-N70 HydrophobicContact CZ3-CB 4.05Å; W25-N70 PolarHBondContact N-O 2.82Å; W25-N70 VanDerWaalsContact NE1-CB 3.3Å; W25-N70 VanDerWaalsContact NE1-CG 3.33Å; W25-N70 PolarHBondContact NE1-OD1 2.87Å; W25-N70 PolarHBondContact O-N 2.89Å; N70-T108 WeakPolarHBondContact OD1-CG2 3.27Å; N70-N109 VanDerWaalsContact CA-O 3.23Å; N70-N109 WeakPolarHBondContact CA-O 3.33Å; N70-N109 PolarHBondContact ND2-O 3.3Å; N70-T110 PolarHBondContact ND2-OG1 3.43Å
71F98.8Very high97.2Very high2 Ų242.5 Ų42.51%0.00921%0.206CC..EExtended strand (participates in β ladder)trans-138.1154.9-176.768.4-88000110.7F21 K22 L23 F80 F100 V103 T108 N109 W111F21-F71 HydrophobicContact CD2-CD2 4.32Å; F21-F71 HydrophobicContact CE1-CB 4.37Å; F21-F71 HydrophobicContact CE2-CB 4.18Å; F21-F71 AromaticContact CE2-CD2 3.42Å; F21-F71 HydrophobicContact CE2-CD2 3.42Å; F21-F71 VanDerWaalsContact CE2-CD2 3.42Å; F21-F71 HydrophobicContact CE2-CE2 4.03Å; F21-F71 AromaticContact CE2-CG 3.99Å; F21-F71 HydrophobicContact CE2-CG 3.99Å; F21-F71 HydrophobicContact CZ-CB 3.74Å; F21-F71 AromaticContact CZ-CD2 3.82Å; F21-F71 HydrophobicContact CZ-CD2 3.82Å; F21-F71 AromaticContact CZ-CG 3.89Å; F21-F71 HydrophobicContact CZ-CG 3.89Å; K22-F71 CarbonylContact O-C 3.6Å; K22-F71 WeakPolarHBondContact O-CA 3.26Å; K22-F71 WeakPolarHBondContact O-CB 3.46Å; L23-F71 HydrophobicContact CD1-CB 4.28Å; F71-F80 HydrophobicContact CD1-CE1 4.42Å; F71-F80 HydrophobicContact CD2-CE1 4.41Å; F71-F80 HydrophobicContact CE1-CD1 4.35Å; F71-F80 AromaticContact CE1-CE1 3.94Å; F71-F80 HydrophobicContact CE1-CE1 3.94Å; F71-F80 HydrophobicContact CE2-CD1 4.07Å; F71-F80 AromaticContact CE2-CE1 3.94Å; F71-F80 HydrophobicContact CE2-CE1 3.94Å; F71-F80 AromaticContact CZ-CD1 3.73Å; F71-F80 HydrophobicContact CZ-CD1 3.73Å; F71-F80 AromaticContact CZ-CE1 3.67Å; F71-F80 HydrophobicContact CZ-CE1 3.67Å; F71-F100 HydrophobicContact CE1-CD2 4.16Å; F71-F100 HydrophobicContact CE1-CE2 4.11Å; F71-F100 HydrophobicContact CE1-CG 4.45Å; F71-F100 HydrophobicContact CE1-CZ 4.38Å; F71-F100 AromaticContact CZ-CD1 4Å; F71-F100 HydrophobicContact CZ-CD1 4Å; F71-F100 HydrophobicContact CZ-CD2 4.23Å; F71-F100 AromaticContact CZ-CE1 3.92Å; F71-F100 HydrophobicContact CZ-CE1 3.92Å; F71-F100 HydrophobicContact CZ-CE2 4.14Å; F71-F100 HydrophobicContact CZ-CG 4.15Å; F71-F100 AromaticContact CZ-CZ 3.99Å; F71-F100 HydrophobicContact CZ-CZ 3.99Å; F71-V103 HydrophobicContact CE2-CG1 4.17Å; F71-V103 HydrophobicContact CE2-CG2 4.05Å; F71-V103 HydrophobicContact CZ-CG2 4.17Å; F71-T108 CarbonylContact O-C 3.54Å; F71-T108 WeakPolarHBondContact O-CA 3.48Å; F71-N109 HydrophobicContact CD1-CB 4.42Å; F71-N109 HydrophobicContact CE1-CB 3.86Å; F71-N109 HydrophobicContact CE2-CB 4.25Å; F71-N109 HydrophobicContact CZ-CB 3.77Å; F71-N109 PolarHBondContact N-O 3.07Å; F71-N109 PolarHBondContact O-N 2.96Å; F71-W111 HydrophobicContact CE1-CB 4.18Å; F71-W111 HydrophobicContact CE1-CE3 4.39Å
72S98.8Very high97.6Very high28 Ų2833.9 Ų33.920%0.19617%0.169CC..EExtended strand (participates in β ladder)trans-116.8146.6171-57.60000109.5F21 K22 N24 S107 T108F21-S72 WeakPolarHBondContact CA-O 3.19Å; K22-S72 PolarHBondContact N-O 3.47Å; K22-S72 PolarHBondContact O-N 2.95Å; N24-S72 PolarHBondContact ND2-N 2.72Å; N24-S72 PolarHBondContact ND2-OG 3.18Å; S72-S107 VanDerWaalsContact CA-O 3.25Å; S72-S107 WeakPolarHBondContact CA-O 3.44Å; S72-T108 PolarHBondContact OG-OG1 2.86Å
73S98.8Very high97.9Very high1 Ų136.9 Ų36.91%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-136.2123.4172.5-173.60000109.4G20 E75 N106 S107G20-S73 CarbonylContact O-C 3.51Å; G20-S73 WeakPolarHBondContact O-CA 3.38Å; S73-E75 VanDerWaalsContact C-N 3.31Å; S73-E75 PolarHBondContact OG-N 2.95Å; S73-E75 PolarHBondContact OG-O 3.03Å; S73-N106 CarbonylContact O-C 3.55Å; S73-N106 WeakPolarHBondContact O-CA 3.35Å; S73-N106 PolarHBondContact O-N 3.04Å; S73-S107 PolarHBondContact N-O 2.85Å; S73-S107 VanDerWaalsContact N-O 3.1Å; S73-S107 PolarHBondContact O-N 3.02Å
74S98.7Very high98.2Very high52 Ų5230.6 Ų30.636%0.36416%0.155SC..SBendtrans-68.1-36.5167.5-64.70000111.2G20 P105 N106G20-S74 PolarHBondContact O-N 3.35Å; S74-P105 WeakPolarHBondContact O-CA 3.36Å; S74-P105 WeakPolarHBondContact O-CB 3.34Å; S74-N106 PolarHBondContact O-N 3.26Å; S74-N106 VanDerWaalsContact O-N 3.08Å
75E98.6Very high98.3Very high59 Ų5932.5 Ų32.528%0.27616%0.161SC..SBendtrans-85.5146.7-177.9-62.4-50.6128.100112.2R13 I17 S73R13-E75 IonicContact CZ-OE2 3.67Å; R13-E75 IonicContact NH1-OE2 2.57Å; R13-E75 PolarHBondContact NH1-OE2 3.31Å; R13-E75 IonicContact NH2-OE2 2.74Å; I17-E75 HydrophobicContact CG1-CB 4.05Å; I17-E75 HydrophobicContact CG1-CG 4.26Å; S73-E75 VanDerWaalsContact C-N 3.31Å; S73-E75 PolarHBondContact OG-N 2.95Å; S73-E75 PolarHBondContact OG-O 3.03Å
76K98.3Very high98.3Very high80 Ų8032.3 Ų32.335%0.34816%0.159SC..  trans-69.2137.2166.8-177.8-161.8176.1-165.20109.4R13 E78 F102 V103 P105R13-K76 PolarHBondContact NH2-O 2.85Å; K76-E78 VanDerWaalsContact CE-OE1 3.24Å; K76-E78 WeakPolarHBondContact CE-OE1 3.22Å; K76-E78 VanDerWaalsContact CE-OE2 3.27Å; K76-E78 WeakPolarHBondContact CE-OE2 3.31Å; K76-E78 IonicContact NZ-OE1 3.02Å; K76-E78 PolarHBondContact NZ-OE1 3.44Å; K76-E78 IonicContact NZ-OE2 3.8Å; K76-E78 PolarHBondContact NZ-OE2 3.14Å; K76-F102 HydrophobicContact CD-CE2 4.34Å; K76-F102 HydrophobicContact CD-CZ 4.42Å; K76-F102 HydrophobicContact CG-CE2 4.26Å; K76-F102 HydrophobicContact CG-CZ 4.19Å; K76-V103 WeakPolarHBondContact CA-O 3.49Å; K76-P105 HydrophobicContact CB-CB 4.25Å; K76-P105 HydrophobicContact CB-CG 4.36Å
77L98.6Very high98.3Very high0 Ų033.7 Ų33.70%016%0.164CC..EExtended strand (participates in β ladder)trans-121.8136.2170.1-48.4175.2000109.2I17 F80 F102 V103 D141I17-L77 HydrophobicContact CB-CD2 4.34Å; I17-L77 HydrophobicContact CD1-CD2 3.63Å; I17-L77 HydrophobicContact CG1-CD2 3.77Å; I17-L77 HydrophobicContact CG2-CD2 3.6Å; L77-F80 HydrophobicContact CB-CB 4.07Å; L77-F80 HydrophobicContact CD1-CB 3.8Å; L77-F80 HydrophobicContact CD1-CD2 3.63Å; L77-F80 HydrophobicContact CD1-CE2 4.39Å; L77-F80 HydrophobicContact CD1-CG 3.76Å; L77-F102 WeakPolarHBondContact O-CA 3.33Å; L77-V103 HydrophobicContact CB-CB 3.83Å; L77-V103 HydrophobicContact CB-CG2 4.05Å; L77-V103 HydrophobicContact CD1-CB 4.16Å; L77-V103 HydrophobicContact CD1-CG2 3.98Å; L77-V103 HydrophobicContact CG-CB 4.03Å; L77-V103 HydrophobicContact CG-CG2 4.32Å; L77-V103 PolarHBondContact N-O 3.11Å; L77-V103 VanDerWaalsContact N-O 3.12Å; L77-V103 PolarHBondContact O-N 3.41Å; L77-D141 WeakPolarHBondContact CA-OD2 3.37Å; L77-D141 HydrophobicContact CB-CB 4.38Å; L77-D141 HydrophobicContact CD2-CB 4.01Å
78E98.3Very high98.2Very high109 Ų10934.4 Ų34.451%0.50917%0.167SC..EExtended strand (participates in β ladder)trans-80.9-45-179.7-57.5-65.5178.600111.1K76 F102 D141K76-E78 VanDerWaalsContact CE-OE1 3.24Å; K76-E78 WeakPolarHBondContact CE-OE1 3.22Å; K76-E78 VanDerWaalsContact CE-OE2 3.27Å; K76-E78 WeakPolarHBondContact CE-OE2 3.31Å; K76-E78 IonicContact NZ-OE1 3.02Å; K76-E78 PolarHBondContact NZ-OE1 3.44Å; K76-E78 IonicContact NZ-OE2 3.8Å; K76-E78 PolarHBondContact NZ-OE2 3.14Å; E78-F102 WeakPolarHBondContact O-CA 3.49Å; E78-D141 PolarHBondContact N-OD1 3.5Å; E78-D141 PolarHBondContact N-OD2 2.77Å
79K98.3Very high98Very high80 Ų8039.4 Ų39.435%0.34819%0.188SC..EExtended strand (participates in β ladder)trans-143.667.2-175.9-161.7-177.2-179.7-171.70111.3H81 E99 D141 D142K79-H81 PolarHBondContact O-N 3.34Å; K79-H81 PolarHBondContact O-ND1 2.95Å; K79-E99 WeakPolarHBondContact CE-OE1 3.31Å; K79-E99 VanDerWaalsContact CE-OE2 3.26Å; K79-E99 WeakPolarHBondContact CE-OE2 3.31Å; K79-E99 IonicContact NZ-OE2 3.66Å; K79-D141 PolarHBondContact N-OD1 3.37Å; K79-D142 HydrophobicContact CB-CB 4.15Å; K79-D142 PolarHBondContact O-N 2.78Å
80F98.8Very high97.8Very high5 Ų541.9 Ų41.92%0.02222%0.217CC..EExtended strand (participates in β ladder)trans-63.7127178-178.3-126.7000111.2F21 F71 L77 L82 F100 G101 V103 W111 F139 F140F21-F80 HydrophobicContact CE2-CE1 4.14Å; F21-F80 HydrophobicContact CE2-CE2 4.05Å; F21-F80 AromaticContact CE2-CZ 3.64Å; F21-F80 HydrophobicContact CE2-CZ 3.64Å; F21-F80 HydrophobicContact CZ-CE1 4.28Å; F21-F80 HydrophobicContact CZ-CE2 4.33Å; F21-F80 AromaticContact CZ-CZ 3.65Å; F21-F80 HydrophobicContact CZ-CZ 3.65Å; F71-F80 HydrophobicContact CD1-CE1 4.42Å; F71-F80 HydrophobicContact CD2-CE1 4.41Å; F71-F80 HydrophobicContact CE1-CD1 4.35Å; F71-F80 AromaticContact CE1-CE1 3.94Å; F71-F80 HydrophobicContact CE1-CE1 3.94Å; F71-F80 HydrophobicContact CE2-CD1 4.07Å; F71-F80 AromaticContact CE2-CE1 3.94Å; F71-F80 HydrophobicContact CE2-CE1 3.94Å; F71-F80 AromaticContact CZ-CD1 3.73Å; F71-F80 HydrophobicContact CZ-CD1 3.73Å; F71-F80 AromaticContact CZ-CE1 3.67Å; F71-F80 HydrophobicContact CZ-CE1 3.67Å; L77-F80 HydrophobicContact CB-CB 4.07Å; L77-F80 HydrophobicContact CD1-CB 3.8Å; L77-F80 HydrophobicContact CD1-CD2 3.63Å; L77-F80 HydrophobicContact CD1-CE2 4.39Å; L77-F80 HydrophobicContact CD1-CG 3.76Å; F80-L82 HydrophobicContact CE2-CD2 4.26Å; F80-L82 HydrophobicContact CZ-CD2 3.97Å; F80-F100 HydrophobicContact CB-CB 4.42Å; F80-F100 HydrophobicContact CD1-CB 3.75Å; F80-F100 HydrophobicContact CD1-CD1 4.15Å; F80-F100 HydrophobicContact CD1-CG 4.1Å; F80-F100 HydrophobicContact CG-CB 4.49Å; F80-F100 WeakPolarHBondContact O-CA 3.38Å; F80-F100 WeakPolarHBondContact O-CB 3.4Å; F80-F100 PolarHBondContact O-N 3.47Å; F80-G101 WeakPolarHBondContact CB-O 3.43Å; F80-G101 PolarHBondContact N-O 3.33Å; F80-G101 PolarHBondContact O-N 3.12Å; F80-V103 HydrophobicContact CB-CG2 3.68Å; F80-V103 HydrophobicContact CD1-CG2 4.12Å; F80-V103 HydrophobicContact CG-CG2 4.15Å; F80-W111 HydrophobicContact CD1-CZ3 4.46Å; F80-W111 HydrophobicContact CE1-CE3 4.29Å; F80-W111 AromaticContact CE1-CZ3 3.94Å; F80-W111 HydrophobicContact CE1-CZ3 3.94Å; F80-F139 HydrophobicContact CE2-CB 4.36Å; F80-F139 HydrophobicContact CE2-CD1 4.01Å; F80-F139 AromaticContact CZ-CD1 3.93Å; F80-F139 HydrophobicContact CZ-CD1 3.93Å; F80-F140 WeakPolarHBondContact CA-O 3.38Å; F80-F140 VanDerWaalsContact CD2-O 3.29Å; F80-F140 WeakPolarHBondContact CD2-O 3.16Å
81H98.8Very high97.6Very high17 Ų1747.7 Ų47.78%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-152.9165.9177.365.8-88.7000112K79 F97 F98 E99 F140 D142K79-H81 PolarHBondContact O-N 3.34Å; K79-H81 PolarHBondContact O-ND1 2.95Å; H81-F97 HydrophobicContact CB-CE2 4.45Å; H81-F97 HydrophobicContact CB-CZ 4.18Å; H81-F97 AromaticContact CD2-CE2 3.33Å; H81-F97 WeakPolarHBondContact CD2-CE2 3.47Å; H81-F97 AromaticContact CD2-CZ 3.76Å; H81-F97 AromaticContact NE2-CE2 3.87Å; H81-F98 CarbonylContact C-O 3.56Å; H81-F98 VanDerWaalsContact CA-O 3.25Å; H81-F98 WeakPolarHBondContact CA-O 3.43Å; H81-F98 VanDerWaalsContact CB-O 3.23Å; H81-F98 WeakPolarHBondContact CB-O 3.27Å; H81-E99 HydrophobicContact CB-CB 4.38Å; H81-E99 HydrophobicContact CB-CG 4.41Å; H81-F140 WeakPolarHBondContact CE1-CB 3.44Å; H81-F140 PolarHBondContact N-O 2.86Å; H81-F140 VanDerWaalsContact N-O 3.07Å; H81-F140 VanDerWaalsContact NE2-CB 3.35Å; H81-F140 WeakPolarHBondContact NE2-CB 3.25Å; H81-F140 AromaticContact NE2-CD2 3.92Å; H81-F140 AromaticContact NE2-CG 3.69Å; H81-F140 PolarHBondContact O-N 2.88Å; H81-D142 PolarHBondContact CE1-O 2.7Å
82L98.6Very high97.5Very high2 Ų250.2 Ų50.21%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-122.4136.3178.9-56178.2000110.6L69 F80 F98 W111 T137 K138 F139L69-L82 HydrophobicContact CD1-CD1 3.88Å; F80-L82 HydrophobicContact CE2-CD2 4.26Å; F80-L82 HydrophobicContact CZ-CD2 3.97Å; L82-F98 HydrophobicContact CB-CB 4.5Å; L82-F98 PolarHBondContact N-O 3.26Å; L82-F98 PolarHBondContact O-N 3.1Å; L82-W111 HydrophobicContact CB-CH2 4.3Å; L82-W111 HydrophobicContact CD1-CE3 4.37Å; L82-W111 HydrophobicContact CD1-CH2 3.83Å; L82-W111 HydrophobicContact CD1-CZ3 3.43Å; L82-W111 VanDerWaalsContact CD1-CZ3 3.43Å; L82-W111 HydrophobicContact CD2-CZ3 4.48Å; L82-W111 HydrophobicContact CG-CH2 3.69Å; L82-W111 HydrophobicContact CG-CZ3 3.56Å; L82-T137 HydrophobicContact CB-CG2 4.43Å; L82-T137 HydrophobicContact CD1-CG2 4.34Å; L82-T137 HydrophobicContact CD2-CG2 4.06Å; L82-K138 WeakPolarHBondContact CA-O 3.39Å; L82-F139 HydrophobicContact CD2-CB 4.3Å; L82-F139 HydrophobicContact CD2-CD1 3.2Å; L82-F139 HydrophobicContact CD2-CE1 3.48Å; L82-F139 VanDerWaalsContact CD2-CE1 3.48Å; L82-F139 HydrophobicContact CD2-CG 3.78Å; L82-F139 HydrophobicContact CD2-CZ 4.26Å
83E98.5Very high97.1Very high70 Ų7052.8 Ų52.833%0.32727%0.272SS..EExtended strand (participates in β ladder)trans-107.5129.3160.3-60.3-176.6165.300108.4F97 K138 F140E83-F97 HydrophobicContact CG-CD2 4.12Å; E83-K138 HydrophobicContact CB-CB 4.34Å; E83-K138 PolarHBondContact N-O 2.87Å; E83-K138 VanDerWaalsContact N-O 3.08Å; E83-K138 PolarHBondContact O-N 3.46Å; E83-F140 HydrophobicContact CB-CE2 4.17Å; E83-F140 HydrophobicContact CG-CD2 4.15Å; E83-F140 HydrophobicContact CG-CE2 3.78Å
84Q98.3Very high96.8Very high14 Ų1455.4 Ų55.47%0.06528%0.284CS..EExtended strand (participates in β ladder)trans-124.8136.3179-69.1-173.4-52.300111.4E95 W96 I135 E136 T137Q84-E95 CarbonylContact O-C 3.6Å; Q84-E95 WeakPolarHBondContact O-CA 3.25Å; Q84-W96 HydrophobicContact CB-CB 4.33Å; Q84-W96 HydrophobicContact CB-CE3 4.05Å; Q84-W96 PolarHBondContact N-O 3.39Å; Q84-W96 PolarHBondContact O-N 3.47Å; Q84-I135 HydrophobicContact CB-CG2 4.43Å; Q84-E136 CarbonylContact C-O 3.53Å; Q84-E136 VanDerWaalsContact CA-O 3.24Å; Q84-E136 WeakPolarHBondContact CA-O 3.26Å; Q84-T137 HydrophobicContact CG-CG2 3.77Å; Q84-T137 PolarHBondContact NE2-OG1 2.9Å
85K97.8Very high96.6Very high55 Ų5558.9 Ų58.924%0.23930%0.295CS..EExtended strand (participates in β ladder)trans-121.1129.9173.9-61.1-162.2-179.5-152.10110F87 E94 E95 I135 E136K85-F87 HydrophobicContact CB-CD2 4.16Å; K85-F87 HydrophobicContact CB-CE2 3.5Å; K85-F87 HydrophobicContact CB-CZ 3.9Å; K85-F87 HydrophobicContact CD-CZ 4.13Å; K85-E94 WeakPolarHBondContact CA-O 3.31Å; K85-E95 HydrophobicContact CD-CG 4.22Å; K85-E95 VanDerWaalsContact CE-CD 3.49Å; K85-E95 WeakPolarHBondContact CE-OE1 3.43Å; K85-E95 HydrophobicContact CG-CG 4.09Å; K85-E95 IonicContact NZ-OE1 3.57Å; K85-E95 PolarHBondContact NZ-OE1 2.97Å; K85-E95 IonicContact NZ-OE2 3.79Å; K85-E95 PolarHBondContact NZ-OE2 2.64Å; K85-I135 WeakPolarHBondContact O-CA 3.16Å; K85-E136 PolarHBondContact N-O 2.96Å; K85-E136 PolarHBondContact O-N 2.91Å
86V96.4Very high96.5Very high14 Ų1458.7 Ų58.79%0.08529%0.291CS..EExtended strand (participates in β ladder)trans-96.4111175.6-173.90000108.5L93 E94 W96 V133 I135V86-L93 PolarHBondContact O-N 3.46Å; V86-E94 HydrophobicContact CB-CB 4.2Å; V86-E94 HydrophobicContact CG2-CB 4.17Å; V86-E94 PolarHBondContact N-O 3.31Å; V86-W96 HydrophobicContact CG2-CD2 4.35Å; V86-W96 HydrophobicContact CG2-CE3 4.17Å; V86-W96 HydrophobicContact CG2-CH2 3.37Å; V86-W96 HydrophobicContact CG2-CZ2 3.56Å; V86-W96 HydrophobicContact CG2-CZ3 3.69Å; V86-V133 HydrophobicContact CG1-CG1 3.81Å; V86-I135 HydrophobicContact CG2-CG1 4.44Å
87F97.1Very high96.5Very high41 Ų4160.3 Ų60.318%0.1830%0.299CS..EExtended strand (participates in β ladder)trans-99.6134177.5-66.7-84.8000111.1K85 Q91 C92 V133 V134 E136K85-F87 HydrophobicContact CB-CD2 4.16Å; K85-F87 HydrophobicContact CB-CE2 3.5Å; K85-F87 HydrophobicContact CB-CZ 3.9Å; K85-F87 HydrophobicContact CD-CZ 4.13Å; F87-Q91 CarbonylContact C-O 3.55Å; F87-Q91 VanDerWaalsContact CA-O 3.3Å; F87-Q91 WeakPolarHBondContact CA-O 3.31Å; F87-C92 HydrophobicContact CD1-CB 4.09Å; F87-C92 HydrophobicContact CE1-CB 3.82Å; F87-V133 CarbonylContact O-C 3.49Å; F87-V133 VanDerWaalsContact O-CA 3.25Å; F87-V133 WeakPolarHBondContact O-CA 3.25Å; F87-V134 HydrophobicContact CB-CB 4.5Å; F87-V134 PolarHBondContact N-O 3.06Å; F87-V134 PolarHBondContact O-N 3.07Å; F87-E136 HydrophobicContact CD2-CB 4.18Å; F87-E136 HydrophobicContact CE2-CB 3.75Å
88F95.8Very high96.5Very high22 Ų2261.5 Ų61.510%0.09630%0.304CS..EExtended strand (participates in β ladder)trans-117.5116.1165.3174.9-105.9000109.2G90 Q91 L93 M124 V128 L129 N132 V133F88-G90 PolarHBondContact O-N 2.57Å; F88-G90 VanDerWaalsContact O-N 3.12Å; F88-Q91 PolarHBondContact N-O 2.86Å; F88-Q91 PolarHBondContact O-N 3.17Å; F88-L93 HydrophobicContact CB-CD1 3.44Å; F88-L93 VanDerWaalsContact CB-CD1 3.44Å; F88-L93 HydrophobicContact CB-CD2 4.31Å; F88-L93 HydrophobicContact CB-CG 3.83Å; F88-L93 HydrophobicContact CG-CD1 4.29Å; F88-M124 HydrophobicContact CB-CE 4.3Å; F88-M124 HydrophobicContact CD1-CE 3.74Å; F88-M124 HydrophobicContact CD1-SD 4.02Å; F88-M124 HydrophobicContact CD2-CE 4.12Å; F88-M124 HydrophobicContact CE1-CE 4.01Å; F88-M124 HydrophobicContact CE1-SD 3.65Å; F88-M124 HydrophobicContact CE2-CE 4.38Å; F88-M124 HydrophobicContact CE2-SD 4.23Å; F88-M124 HydrophobicContact CG-CE 3.79Å; F88-M124 HydrophobicContact CG-SD 4.46Å; F88-M124 HydrophobicContact CZ-CE 4.32Å; F88-M124 HydrophobicContact CZ-SD 3.76Å; F88-V128 HydrophobicContact CE2-CG1 4.04Å; F88-V128 HydrophobicContact CZ-CG1 3.63Å; F88-L129 HydrophobicContact CD2-CD2 3.98Å; F88-L129 HydrophobicContact CE2-CD2 4.17Å; F88-N132 HydrophobicContact CD2-CB 3.96Å; F88-N132 HydrophobicContact CE2-CB 3.73Å; F88-V133 HydrophobicContact CD2-CG2 4.23Å
89K94.6Very high96.5Very high147 Ų14761 Ų6164%0.63930%0.301SS*.THydrogen-bonded Turntrans49.538.3-177.2-60.5-174.6175.1-177.20113.5Q91 N132K89-Q91 VanDerWaalsContact C-N 3.3Å; K89-Q91 PolarHBondContact O-N 2.89Å; K89-N132 HydrophobicContact CG-CB 4.2Å; K89-N132 PolarHBondContact N-O 3.03Å
90G92.9Very high96.5Very high65 Ų6559.9 Ų59.967%0.6730%0.297SS*.THydrogen-bonded Turntrans83.2-6.3179.500000115.3F88F88-G90 PolarHBondContact O-N 2.57Å; F88-G90 VanDerWaalsContact O-N 3.12Å
91Q95.4Very high96.4Very high138 Ų13860.2 Ų60.265%0.64530%0.302SS*.EExtended strand (participates in β ladder)trans-90.4129.5172.1-65.1-175.5-20.600110F87 F88 K89 L93F87-Q91 CarbonylContact C-O 3.55Å; F87-Q91 VanDerWaalsContact CA-O 3.3Å; F87-Q91 WeakPolarHBondContact CA-O 3.31Å; F88-Q91 PolarHBondContact N-O 2.86Å; F88-Q91 PolarHBondContact O-N 3.17Å; K89-Q91 VanDerWaalsContact C-N 3.3Å; K89-Q91 PolarHBondContact O-N 2.89Å; Q91-L93 PolarHBondContact O-N 2.91Å
92C95.5Very high96.4Very high55 Ų5564.5 Ų64.537%0.37232%0.32SS..EExtended strand (participates in β ladder)trans-73.4119.7174.4-1680000109.1F87F87-C92 HydrophobicContact CD1-CB 4.09Å; F87-C92 HydrophobicContact CE1-CB 3.82Å
93L91.4Very high96.4Very high83 Ų8364.4 Ų64.444%0.43532%0.32SS..EExtended strand (participates in β ladder)trans-94.9-42.2178.6-61-173.6000111.7V86 F88 Q91 M124V86-L93 PolarHBondContact O-N 3.46Å; F88-L93 HydrophobicContact CB-CD1 3.44Å; F88-L93 VanDerWaalsContact CB-CD1 3.44Å; F88-L93 HydrophobicContact CB-CD2 4.31Å; F88-L93 HydrophobicContact CB-CG 3.83Å; F88-L93 HydrophobicContact CG-CD1 4.29Å; Q91-L93 PolarHBondContact O-N 2.91Å; L93-M124 HydrophobicContact CD1-CE 3.62Å
94E91.8Very high96.4Very high56 Ų5665.8 Ų65.826%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-141.4148.3-175-63.7-174.8-145.100110.6K85 V86 W96K85-E94 WeakPolarHBondContact CA-O 3.31Å; V86-E94 HydrophobicContact CB-CB 4.2Å; V86-E94 HydrophobicContact CG2-CB 4.17Å; V86-E94 PolarHBondContact N-O 3.31Å; E94-W96 HydrophobicContact CB-CZ2 4.5Å; E94-W96 VanDerWaalsContact OE2-CE2 3.29Å; E94-W96 VanDerWaalsContact OE2-CZ2 3.28Å; E94-W96 WeakPolarHBondContact OE2-CZ2 3.34Å; E94-W96 PolarHBondContact OE2-NE1 2.72Å
95E95.8Very high96.5Very high125 Ų12568 Ų6858%0.58434%0.344SS*.EExtended strand (participates in β ladder)trans-125.5131171.5-56-165.517700108.5Q84 K85Q84-E95 CarbonylContact O-C 3.6Å; Q84-E95 WeakPolarHBondContact O-CA 3.25Å; K85-E95 HydrophobicContact CD-CG 4.22Å; K85-E95 VanDerWaalsContact CE-CD 3.49Å; K85-E95 WeakPolarHBondContact CE-OE1 3.43Å; K85-E95 HydrophobicContact CG-CG 4.09Å; K85-E95 IonicContact NZ-OE1 3.57Å; K85-E95 PolarHBondContact NZ-OE1 2.97Å; K85-E95 IonicContact NZ-OE2 3.79Å; K85-E95 PolarHBondContact NZ-OE2 2.64Å
96W96.4Very high96.5Very high54 Ų5471.7 Ų71.721%0.20537%0.366CS..EExtended strand (participates in β ladder)trans-124.9143-179.6-52.5-36.4000110.2Q84 V86 E94 F98 I115 I135Q84-W96 HydrophobicContact CB-CB 4.33Å; Q84-W96 HydrophobicContact CB-CE3 4.05Å; Q84-W96 PolarHBondContact N-O 3.39Å; Q84-W96 PolarHBondContact O-N 3.47Å; V86-W96 HydrophobicContact CG2-CD2 4.35Å; V86-W96 HydrophobicContact CG2-CE3 4.17Å; V86-W96 HydrophobicContact CG2-CH2 3.37Å; V86-W96 HydrophobicContact CG2-CZ2 3.56Å; V86-W96 HydrophobicContact CG2-CZ3 3.69Å; E94-W96 HydrophobicContact CB-CZ2 4.5Å; E94-W96 VanDerWaalsContact OE2-CE2 3.29Å; E94-W96 VanDerWaalsContact OE2-CZ2 3.28Å; E94-W96 WeakPolarHBondContact OE2-CZ2 3.34Å; E94-W96 PolarHBondContact OE2-NE1 2.72Å; W96-F98 HydrophobicContact CB-CD2 4.31Å; W96-F98 HydrophobicContact CB-CE2 3.4Å; W96-F98 HydrophobicContact CB-CZ 3.65Å; W96-F98 HydrophobicContact CD2-CZ 4.42Å; W96-F98 HydrophobicContact CE3-CE2 4.25Å; W96-F98 HydrophobicContact CE3-CZ 4.39Å; W96-F98 HydrophobicContact CG-CE2 4.25Å; W96-F98 HydrophobicContact CG-CZ 4.18Å; W96-I115 HydrophobicContact CD2-CG2 4.38Å; W96-I115 HydrophobicContact CE3-CG2 4.49Å; W96-I115 HydrophobicContact CH2-CG2 3.81Å; W96-I115 HydrophobicContact CZ2-CG2 3.66Å; W96-I115 HydrophobicContact CZ3-CD1 4.28Å; W96-I115 HydrophobicContact CZ3-CG2 4.24Å; W96-I135 HydrophobicContact CZ3-CD1 4.31Å
97F97.4Very high96.6Very high114 Ų11471.9 Ų71.950%0.537%0.368SS..EExtended strand (participates in β ladder)trans-123.6130.4176.3-178.5-92.6000109.4H81 E83 E99H81-F97 HydrophobicContact CB-CE2 4.45Å; H81-F97 HydrophobicContact CB-CZ 4.18Å; H81-F97 AromaticContact CD2-CE2 3.33Å; H81-F97 WeakPolarHBondContact CD2-CE2 3.47Å; H81-F97 AromaticContact CD2-CZ 3.76Å; H81-F97 AromaticContact NE2-CE2 3.87Å; E83-F97 HydrophobicContact CG-CD2 4.12Å; F97-E99 HydrophobicContact CE1-CB 4.04Å
98F97.9Very high96.7Very high25 Ų2573.9 Ų73.911%0.1138%0.384CS..EExtended strand (participates in β ladder)trans-133.4123.9178.5-53.6-81000110.1R67 H81 L82 W96 W111 I115R67-F98 VanDerWaalsContact NH2-CD2 3.31Å; H81-F98 CarbonylContact C-O 3.56Å; H81-F98 VanDerWaalsContact CA-O 3.25Å; H81-F98 WeakPolarHBondContact CA-O 3.43Å; H81-F98 VanDerWaalsContact CB-O 3.23Å; H81-F98 WeakPolarHBondContact CB-O 3.27Å; L82-F98 HydrophobicContact CB-CB 4.5Å; L82-F98 PolarHBondContact N-O 3.26Å; L82-F98 PolarHBondContact O-N 3.1Å; W96-F98 HydrophobicContact CB-CD2 4.31Å; W96-F98 HydrophobicContact CB-CE2 3.4Å; W96-F98 HydrophobicContact CB-CZ 3.65Å; W96-F98 HydrophobicContact CD2-CZ 4.42Å; W96-F98 HydrophobicContact CE3-CE2 4.25Å; W96-F98 HydrophobicContact CE3-CZ 4.39Å; W96-F98 HydrophobicContact CG-CE2 4.25Å; W96-F98 HydrophobicContact CG-CZ 4.18Å; F98-W111 HydrophobicContact CB-CH2 3.6Å; F98-W111 HydrophobicContact CB-CZ2 3.39Å; F98-W111 WeakPolarHBondContact O-CH2 3.35Å; F98-I115 HydrophobicContact CE1-CG1 4.36Å; F98-I115 HydrophobicContact CZ-CG1 3.96Å
99E98.2Very high96.8Very high98 Ų9874.4 Ų74.446%0.45839%0.388SS..EExtended strand (participates in β ladder)trans-103.1129175.7-171.1172.9147.700110.7K79 H81 F97 W111K79-E99 WeakPolarHBondContact CE-OE1 3.31Å; K79-E99 VanDerWaalsContact CE-OE2 3.26Å; K79-E99 WeakPolarHBondContact CE-OE2 3.31Å; K79-E99 IonicContact NZ-OE2 3.66Å; H81-E99 HydrophobicContact CB-CB 4.38Å; H81-E99 HydrophobicContact CB-CG 4.41Å; F97-E99 HydrophobicContact CE1-CB 4.04Å; E99-W111 VanDerWaalsContact C-CZ2 3.45Å
100F98.5Very high97Very high57 Ų5771.1 Ų71.125%0.2538%0.38CS..EExtended strand (participates in β ladder)trans-96.8-43.2168.8-178.3-94.9000110.7F71 F80 F102 V103 N109 W111F71-F100 HydrophobicContact CE1-CD2 4.16Å; F71-F100 HydrophobicContact CE1-CE2 4.11Å; F71-F100 HydrophobicContact CE1-CG 4.45Å; F71-F100 HydrophobicContact CE1-CZ 4.38Å; F71-F100 AromaticContact CZ-CD1 4Å; F71-F100 HydrophobicContact CZ-CD1 4Å; F71-F100 HydrophobicContact CZ-CD2 4.23Å; F71-F100 AromaticContact CZ-CE1 3.92Å; F71-F100 HydrophobicContact CZ-CE1 3.92Å; F71-F100 HydrophobicContact CZ-CE2 4.14Å; F71-F100 HydrophobicContact CZ-CG 4.15Å; F71-F100 AromaticContact CZ-CZ 3.99Å; F71-F100 HydrophobicContact CZ-CZ 3.99Å; F80-F100 HydrophobicContact CB-CB 4.42Å; F80-F100 HydrophobicContact CD1-CB 3.75Å; F80-F100 HydrophobicContact CD1-CD1 4.15Å; F80-F100 HydrophobicContact CD1-CG 4.1Å; F80-F100 HydrophobicContact CG-CB 4.49Å; F80-F100 WeakPolarHBondContact O-CA 3.38Å; F80-F100 WeakPolarHBondContact O-CB 3.4Å; F80-F100 PolarHBondContact O-N 3.47Å; F100-F102 WeakPolarHBondContact CE1-O 3.27Å; F100-V103 HydrophobicContact CD1-CG2 3.63Å; F100-V103 HydrophobicContact CE1-CG2 3.7Å; F100-N109 HydrophobicContact CE1-CB 4.47Å; F100-N109 HydrophobicContact CE2-CB 4.13Å; F100-N109 HydrophobicContact CZ-CB 3.65Å; F100-W111 HydrophobicContact CB-CD2 4.03Å; F100-W111 HydrophobicContact CB-CE3 4.13Å; F100-W111 HydrophobicContact CB-CH2 4.08Å; F100-W111 HydrophobicContact CB-CZ2 3.97Å; F100-W111 HydrophobicContact CB-CZ3 4.15Å; F100-W111 HydrophobicContact CD2-CB 3.67Å; F100-W111 AromaticContact CD2-CD1 3.8Å; F100-W111 AromaticContact CD2-CD2 3.79Å; F100-W111 HydrophobicContact CD2-CD2 3.79Å; F100-W111 HydrophobicContact CD2-CE3 4.28Å; F100-W111 AromaticContact CD2-CG 3.51Å; F100-W111 HydrophobicContact CD2-CG 3.51Å; F100-W111 HydrophobicContact CE2-CB 3.87Å; F100-W111 HydrophobicContact CE2-CG 4.18Å; F100-W111 HydrophobicContact CG-CD2 4.36Å; F100-W111 HydrophobicContact CG-CG 4.5Å
101G98.3Very high97.3Very high12 Ų1269 Ų6912%0.12435%0.352CS..EExtended strand (participates in β ladder)trans93.2-139.6-177.800000112.3F80F80-G101 WeakPolarHBondContact CB-O 3.43Å; F80-G101 PolarHBondContact N-O 3.33Å; F80-G101 PolarHBondContact O-N 3.12Å
102F98.5Very high97.4Very high107 Ų10768.2 Ų68.247%0.46935%0.348SS..EExtended strand (participates in β ladder)trans-67.2132.5-172-174.3-93.8000113.2K76 L77 E78 F100 I104K76-F102 HydrophobicContact CD-CE2 4.34Å; K76-F102 HydrophobicContact CD-CZ 4.42Å; K76-F102 HydrophobicContact CG-CE2 4.26Å; K76-F102 HydrophobicContact CG-CZ 4.19Å; L77-F102 WeakPolarHBondContact O-CA 3.33Å; E78-F102 WeakPolarHBondContact O-CA 3.49Å; F100-F102 WeakPolarHBondContact CE1-O 3.27Å; F102-I104 HydrophobicContact CD1-CG1 4.17Å; F102-I104 HydrophobicContact CE1-CG1 3.76Å
103V98.8Very high97.4Very high0 Ų066.1 Ų66.10%033%0.334CS..EExtended strand (participates in β ladder)trans-116.2121.4174.2-178.10000110F71 K76 L77 F80 F100F71-V103 HydrophobicContact CE2-CG1 4.17Å; F71-V103 HydrophobicContact CE2-CG2 4.05Å; F71-V103 HydrophobicContact CZ-CG2 4.17Å; K76-V103 WeakPolarHBondContact CA-O 3.49Å; L77-V103 HydrophobicContact CB-CB 3.83Å; L77-V103 HydrophobicContact CB-CG2 4.05Å; L77-V103 HydrophobicContact CD1-CB 4.16Å; L77-V103 HydrophobicContact CD1-CG2 3.98Å; L77-V103 HydrophobicContact CG-CB 4.03Å; L77-V103 HydrophobicContact CG-CG2 4.32Å; L77-V103 PolarHBondContact N-O 3.11Å; L77-V103 VanDerWaalsContact N-O 3.12Å; L77-V103 PolarHBondContact O-N 3.41Å; F80-V103 HydrophobicContact CB-CG2 3.68Å; F80-V103 HydrophobicContact CD1-CG2 4.12Å; F80-V103 HydrophobicContact CG-CG2 4.15Å; F100-V103 HydrophobicContact CD1-CG2 3.63Å; F100-V103 HydrophobicContact CE1-CG2 3.7Å
104I98.6Very high97.6Very high100 Ų10066.7 Ų66.751%0.51334%0.337SS..  trans-67.2136.5175.3-64.7167.5000108.9F102 S107F102-I104 HydrophobicContact CD1-CG1 4.17Å; F102-I104 HydrophobicContact CE1-CG1 3.76Å; I104-S107 WeakPolarHBondContact O-CB 3.41Å; I104-S107 PolarHBondContact O-N 3.41Å; I104-S107 PolarHBondContact O-OG 2.9Å
105P98.5Very high97.7Very high61 Ų6165.2 Ų65.240%0.39633%0.331SS..THydrogen-bonded Turntrans-61.9142.5175.526.1-34.9000111.4S74 K76 S107S74-P105 WeakPolarHBondContact O-CA 3.36Å; S74-P105 WeakPolarHBondContact O-CB 3.34Å; K76-P105 HydrophobicContact CB-CB 4.25Å; K76-P105 HydrophobicContact CB-CG 4.36Å; P105-S107 PolarHBondContact O-N 3.05Å
106N98.3Very high97.5Very high131 Ų13166.1 Ų66.170%0.70134%0.335SS*.THydrogen-bonded Turntrans55.332.3-174.7-55.6-68.9000114.1S73 S74S73-N106 CarbonylContact O-C 3.55Å; S73-N106 WeakPolarHBondContact O-CA 3.35Å; S73-N106 PolarHBondContact O-N 3.04Å; S74-N106 PolarHBondContact O-N 3.26Å; S74-N106 VanDerWaalsContact O-N 3.08Å
107S98.8Very high96.8Very high18 Ų1865.7 Ų65.713%0.12634%0.343CS..EExtended strand (participates in β ladder)trans-96.9162.4177.667.70000112.5S72 S73 I104 P105 N109S72-S107 VanDerWaalsContact CA-O 3.25Å; S72-S107 WeakPolarHBondContact CA-O 3.44Å; S73-S107 PolarHBondContact N-O 2.85Å; S73-S107 VanDerWaalsContact N-O 3.1Å; S73-S107 PolarHBondContact O-N 3.02Å; I104-S107 WeakPolarHBondContact O-CB 3.41Å; I104-S107 PolarHBondContact O-N 3.41Å; I104-S107 PolarHBondContact O-OG 2.9Å; P105-S107 PolarHBondContact O-N 3.05Å; S107-N109 PolarHBondContact OG-ND2 2.96Å
108T98.8Very high95.7Very high84 Ų8461.4 Ų61.452%0.51533%0.329SS..EExtended strand (participates in β ladder)trans-126.1127.1166.9-62.20000107.8N70 F71 S72N70-T108 WeakPolarHBondContact OD1-CG2 3.27Å; F71-T108 CarbonylContact O-C 3.54Å; F71-T108 WeakPolarHBondContact O-CA 3.48Å; S72-T108 PolarHBondContact OG-OG1 2.86Å
109N98.7Very high94.7Very high32 Ų3263.8 Ų63.817%0.17135%0.347CS..EExtended strand (participates in β ladder)trans-125.5147.2-170.8-57.4-78.1000110N70 F71 F100 S107N70-N109 VanDerWaalsContact CA-O 3.23Å; N70-N109 WeakPolarHBondContact CA-O 3.33Å; N70-N109 PolarHBondContact ND2-O 3.3Å; F71-N109 HydrophobicContact CD1-CB 4.42Å; F71-N109 HydrophobicContact CE1-CB 3.86Å; F71-N109 HydrophobicContact CE2-CB 4.25Å; F71-N109 HydrophobicContact CZ-CB 3.77Å; F71-N109 PolarHBondContact N-O 3.07Å; F71-N109 PolarHBondContact O-N 2.96Å; F100-N109 HydrophobicContact CE1-CB 4.47Å; F100-N109 HydrophobicContact CE2-CB 4.13Å; F100-N109 HydrophobicContact CZ-CB 3.65Å; S107-N109 PolarHBondContact OG-ND2 2.96Å
110T98.5Very high93.3Very high78 Ų7867.7 Ų67.748%0.47937%0.365SS..EExtended strand (participates in β ladder)trans-109.6126.6166-60.60000108.1W25 L69 N70W25-T110 HydrophobicContact CH2-CG2 3.86Å; L69-T110 CarbonylContact O-C 3.58Å; L69-T110 WeakPolarHBondContact O-CA 3.28Å; N70-T110 PolarHBondContact ND2-OG1 3.43Å
111W98.4Very high92Very high20 Ų2070.5 Ų70.58%0.07639%0.391CS..EExtended strand (participates in β ladder)trans-121.7118.9-177.2177.824.2000110.2E68 L69 F71 F80 L82 F98 E99 F100E68-W111 CarbonylContact C-O 3.51Å; E68-W111 WeakPolarHBondContact CA-O 3.32Å; L69-W111 HydrophobicContact CD1-CE3 3.89Å; L69-W111 HydrophobicContact CD1-CZ3 4.28Å; L69-W111 PolarHBondContact N-O 3.32Å; L69-W111 PolarHBondContact O-N 3.19Å; F71-W111 HydrophobicContact CE1-CB 4.18Å; F71-W111 HydrophobicContact CE1-CE3 4.39Å; F80-W111 HydrophobicContact CD1-CZ3 4.46Å; F80-W111 HydrophobicContact CE1-CE3 4.29Å; F80-W111 AromaticContact CE1-CZ3 3.94Å; F80-W111 HydrophobicContact CE1-CZ3 3.94Å; L82-W111 HydrophobicContact CB-CH2 4.3Å; L82-W111 HydrophobicContact CD1-CE3 4.37Å; L82-W111 HydrophobicContact CD1-CH2 3.83Å; L82-W111 HydrophobicContact CD1-CZ3 3.43Å; L82-W111 VanDerWaalsContact CD1-CZ3 3.43Å; L82-W111 HydrophobicContact CD2-CZ3 4.48Å; L82-W111 HydrophobicContact CG-CH2 3.69Å; L82-W111 HydrophobicContact CG-CZ3 3.56Å; F98-W111 HydrophobicContact CB-CH2 3.6Å; F98-W111 HydrophobicContact CB-CZ2 3.39Å; F98-W111 WeakPolarHBondContact O-CH2 3.35Å; E99-W111 VanDerWaalsContact C-CZ2 3.45Å; F100-W111 HydrophobicContact CB-CD2 4.03Å; F100-W111 HydrophobicContact CB-CE3 4.13Å; F100-W111 HydrophobicContact CB-CH2 4.08Å; F100-W111 HydrophobicContact CB-CZ2 3.97Å; F100-W111 HydrophobicContact CB-CZ3 4.15Å; F100-W111 HydrophobicContact CD2-CB 3.67Å; F100-W111 AromaticContact CD2-CD1 3.8Å; F100-W111 AromaticContact CD2-CD2 3.79Å; F100-W111 HydrophobicContact CD2-CD2 3.79Å; F100-W111 HydrophobicContact CD2-CE3 4.28Å; F100-W111 AromaticContact CD2-CG 3.51Å; F100-W111 HydrophobicContact CD2-CG 3.51Å; F100-W111 HydrophobicContact CE2-CB 3.87Å; F100-W111 HydrophobicContact CE2-CG 4.18Å; F100-W111 HydrophobicContact CG-CD2 4.36Å; F100-W111 HydrophobicContact CG-CG 4.5Å
112Q97.7Very high90.8Very high123 Ų12376.4 Ų76.458%0.57542%0.416SS*.EExtended strand (participates in β ladder)trans-96.9134.4174.7-167.7178.6-37.800110.6S66 R67 E68S66-Q112 PolarHBondContact OG-NE2 3.19Å; R67-Q112 CarbonylContact O-C 3.58Å; R67-Q112 VanDerWaalsContact O-CA 3.25Å; R67-Q112 WeakPolarHBondContact O-CA 3.43Å; E68-Q112 HydrophobicContact CG-CB 4.26Å; E68-Q112 HydrophobicContact CG-CG 4.07Å
113S96.4Very high89.8Confident10 Ų1074 Ų747%0.0741%0.407CS..EExtended strand (participates in β ladder)trans-130.4148.7173.8-43.60000110R67R67-S113 PolarHBondContact N-O 3.19Å; R67-S113 PolarHBondContact NH2-OG 3.45Å; R67-S113 PolarHBondContact O-N 3.07Å
114L95.4Very high89.2Confident95 Ų9576.6 Ų76.650%0.49742%0.42SS..EExtended strand (participates in β ladder)trans-102.1131.8171.4-17068.5000109.3A31 A64A31-L114 HydrophobicContact CB-CD1 3.61Å; A64-L114 HydrophobicContact CB-CD1 3.86Å; A64-L114 HydrophobicContact CB-CG 4.27Å
115I94.3Very high88.8Confident25 Ų2575.7 Ų75.713%0.12842%0.42CS..EExtended strand (participates in β ladder)trans-115.7112.8175-55.5172.8000107.1A64 V65 R67 W96 F98A64-I115 CarbonylContact C-O 3.59Å; A64-I115 WeakPolarHBondContact CA-O 3.48Å; A64-I115 WeakPolarHBondContact CB-O 3.23Å; V65-I115 PolarHBondContact N-O 3.18Å; V65-I115 PolarHBondContact O-N 3.07Å; R67-I115 HydrophobicContact CB-CD1 4.31Å; W96-I115 HydrophobicContact CD2-CG2 4.38Å; W96-I115 HydrophobicContact CE3-CG2 4.49Å; W96-I115 HydrophobicContact CH2-CG2 3.81Å; W96-I115 HydrophobicContact CZ2-CG2 3.66Å; W96-I115 HydrophobicContact CZ3-CD1 4.28Å; W96-I115 HydrophobicContact CZ3-CG2 4.24Å; F98-I115 HydrophobicContact CE1-CG1 4.36Å; F98-I115 HydrophobicContact CZ-CG1 3.96Å
116E90.1Very high88.4Confident144 Ų14473.7 Ų73.767%0.67341%0.409SS*.EExtended strand (participates in β ladder)trans-80.2139.2176.5-63-171.9166.700110.1
117A81.6Confident88.1Confident46 Ų4673.5 Ų73.538%0.3841%0.408SS..PPolyproline II helixtrans-77.5144.8175.900000110.6C62 K63C62-A117 VanDerWaalsContact O-CB 3.28Å; C62-A117 WeakPolarHBondContact O-CB 3.24Å; K63-A117 WeakPolarHBondContact O-CB 3.33Å; K63-A117 PolarHBondContact O-N 3.03Å
118A76.1Confident87.9Confident23 Ų2375.3 Ų75.319%0.1942%0.418CS..PPolyproline II helixtrans-57.4153.7164.700000110.8E120 M123A118-E120 PolarHBondContact O-N 2.99Å; A118-M123 HydrophobicContact CB-SD 4.27Å
119P75.8Confident87.7Confident75 Ų7571.8 Ų71.849%0.48740%0.396SS..PPolyproline II helixtrans-50.8141.1175.5-2633.6000112.2S121 Q122 M123P119-S121 PolarHBondContact O-N 3.39Å; P119-Q122 WeakPolarHBondContact O-CB 3.29Å; P119-Q122 PolarHBondContact O-N 3.07Å; P119-M123 PolarHBondContact O-N 2.82Å
120E69.7Low87.6Confident181 Ų18172.5 Ų72.585%0.84640%0.401SS*.G310 helixtrans-56.2-31-175.3-169.9173.8-165.200113.1A118 Q122 M123A118-E120 PolarHBondContact O-N 2.99Å; E120-Q122 PolarHBondContact O-N 3.01Å; E120-M123 WeakPolarHBondContact O-CB 3.31Å; E120-M123 PolarHBondContact O-N 3.36Å; E120-M123 VanDerWaalsContact O-N 3.13Å
121S70Confident87.5Confident115 Ų11569.4 Ų69.480%0.80439%0.385SS*.G310 helixtrans-64.4-19.317656.60000114.4P119P119-S121 PolarHBondContact O-N 3.39Å
122Q74.3Confident87.5Confident136 Ų13671.3 Ų71.364%0.63640%0.397SS*.G310 helixtrans-100.6-7.3178.5-60.5178.4-4.800112P119 E120 M124P119-Q122 WeakPolarHBondContact O-CB 3.29Å; P119-Q122 PolarHBondContact O-N 3.07Å; E120-Q122 PolarHBondContact O-N 3.01Å; Q122-M124 PolarHBondContact O-N 2.82Å
123M77.6Confident87.4Confident58 Ų5865.6 Ų65.629%0.28637%0.371SS..PPolyproline II helixtrans-77.5118.9-176.2-69.8-66.5-82.900111.2L60 A118 P119 E120L60-M123 HydrophobicContact CB-CE 4.02Å; L60-M123 HydrophobicContact CD2-CE 3.7Å; L60-M123 HydrophobicContact CG-CE 4.49Å; L60-M123 WeakPolarHBondContact O-CE 3.35Å; A118-M123 HydrophobicContact CB-SD 4.27Å; P119-M123 PolarHBondContact O-N 2.82Å; E120-M123 WeakPolarHBondContact O-CB 3.31Å; E120-M123 PolarHBondContact O-N 3.36Å; E120-M123 VanDerWaalsContact O-N 3.13Å
124M85.6Confident87.5Confident54 Ų5465.5 Ų65.527%0.26637%0.37SS..PPolyproline II helixtrans-75.6147.9174-71.3-179.5-85.900111.5F88 L93 Q122 V128 L129F88-M124 HydrophobicContact CB-CE 4.3Å; F88-M124 HydrophobicContact CD1-CE 3.74Å; F88-M124 HydrophobicContact CD1-SD 4.02Å; F88-M124 HydrophobicContact CD2-CE 4.12Å; F88-M124 HydrophobicContact CE1-CE 4.01Å; F88-M124 HydrophobicContact CE1-SD 3.65Å; F88-M124 HydrophobicContact CE2-CE 4.38Å; F88-M124 HydrophobicContact CE2-SD 4.23Å; F88-M124 HydrophobicContact CG-CE 3.79Å; F88-M124 HydrophobicContact CG-SD 4.46Å; F88-M124 HydrophobicContact CZ-CE 4.32Å; F88-M124 HydrophobicContact CZ-SD 3.76Å; L93-M124 HydrophobicContact CD1-CE 3.62Å; Q122-M124 PolarHBondContact O-N 2.82Å; M124-V128 HydrophobicContact SD-CG1 4.28Å; M124-L129 HydrophobicContact CB-CD1 4.29Å; M124-L129 HydrophobicContact CB-CD2 3.8Å; M124-L129 HydrophobicContact CB-CG 3.86Å; M124-L129 HydrophobicContact CE-CD2 3.69Å; M124-L129 VanDerWaalsContact O-CD1 3.26Å; M124-L129 WeakPolarHBondContact O-CD1 3.35Å; M124-L129 HydrophobicContact SD-CD2 4.28Å
125P89.9Confident87.6Confident80 Ų8062.3 Ų62.352%0.51935%0.353SS..PPolyproline II helixtrans-58.3145.7174.8-28.637.7000113.7N127 V128 L129P125-N127 VanDerWaalsContact C-N 3.27Å; P125-N127 WeakPolarHBondContact CB-OD1 3.34Å; P125-N127 PolarHBondContact O-N 2.84Å; P125-V128 HydrophobicContact CB-CG2 4.32Å; P125-V128 WeakPolarHBondContact O-CA 3.36Å; P125-V128 WeakPolarHBondContact O-CB 3.25Å; P125-V128 PolarHBondContact O-N 3.25Å; P125-L129 PolarHBondContact O-N 2.83Å; P125-L129 VanDerWaalsContact O-N 3.1Å
126A91.4Very high87.8Confident19 Ų1963 Ų6316%0.15736%0.355CS..Hα-helixtrans-58.2-34.2-177.300000114.3K57 L60 V128 L129 T130K57-A126 HydrophobicContact CB-CB 4.28Å; K57-A126 HydrophobicContact CD-CB 4.16Å; K57-A126 HydrophobicContact CG-CB 3.76Å; L60-A126 HydrophobicContact CD1-CB 3.66Å; A126-V128 PolarHBondContact O-N 2.81Å; A126-L129 PolarHBondContact O-N 3.31Å; A126-T130 VanDerWaalsContact O-CB 3.25Å; A126-T130 WeakPolarHBondContact O-CB 3.24Å; A126-T130 WeakPolarHBondContact O-CG2 3.4Å; A126-T130 PolarHBondContact O-N 2.96Å
127N91.6Very high88.3Confident127 Ų12756.5 Ų56.568%0.67933%0.326SS*.Hα-helixtrans-68.2-21.5176.462.4-29.6000113.2P125P125-N127 VanDerWaalsContact C-N 3.27Å; P125-N127 WeakPolarHBondContact CB-OD1 3.34Å; P125-N127 PolarHBondContact O-N 2.84Å
128V93.5Very high89.1Confident56 Ų5657.2 Ų57.234%0.33932%0.32SS..Hα-helixtrans-84.4-42.6173176.30000110.2F88 M124 P125 A126 N132F88-V128 HydrophobicContact CE2-CG1 4.04Å; F88-V128 HydrophobicContact CZ-CG1 3.63Å; M124-V128 HydrophobicContact SD-CG1 4.28Å; P125-V128 HydrophobicContact CB-CG2 4.32Å; P125-V128 WeakPolarHBondContact O-CA 3.36Å; P125-V128 WeakPolarHBondContact O-CB 3.25Å; P125-V128 PolarHBondContact O-N 3.25Å; A126-V128 PolarHBondContact O-N 2.81Å; V128-N132 PolarHBondContact O-ND2 2.94Å
129L94.3Very high90.1Very high11 Ų1156.8 Ų56.86%0.05831%0.314CS..Hα-helixtrans-72.1-38.1-177.4-67.6176.2000113.7L60 F88 M124 P125 A126 G131 N132 V133 Y155L60-L129 HydrophobicContact CD1-CD1 3.89Å; L60-L129 HydrophobicContact CD2-CD1 3.76Å; F88-L129 HydrophobicContact CD2-CD2 3.98Å; F88-L129 HydrophobicContact CE2-CD2 4.17Å; M124-L129 HydrophobicContact CB-CD1 4.29Å; M124-L129 HydrophobicContact CB-CD2 3.8Å; M124-L129 HydrophobicContact CB-CG 3.86Å; M124-L129 HydrophobicContact CE-CD2 3.69Å; M124-L129 VanDerWaalsContact O-CD1 3.26Å; M124-L129 WeakPolarHBondContact O-CD1 3.35Å; M124-L129 HydrophobicContact SD-CD2 4.28Å; P125-L129 PolarHBondContact O-N 2.83Å; P125-L129 VanDerWaalsContact O-N 3.1Å; A126-L129 PolarHBondContact O-N 3.31Å; L129-G131 PolarHBondContact O-N 3.18Å; L129-N132 PolarHBondContact O-N 3.1Å; L129-V133 HydrophobicContact CB-CG2 4Å; L129-V133 HydrophobicContact CD2-CG2 3.7Å; L129-V133 HydrophobicContact CG-CG2 4.42Å; L129-V133 PolarHBondContact O-N 3.01Å; L129-Y155 HydrophobicContact CB-CD2 3.74Å; L129-Y155 HydrophobicContact CB-CE2 3.56Å; L129-Y155 HydrophobicContact CD1-CE2 4.29Å
130T96.9Very high91.2Very high46 Ų4654.3 Ų54.328%0.28230%0.296SS..THydrogen-bonded Turntrans-56.7126.6-171.8-163.70000112.3A126 N132 F154 Y155A126-T130 VanDerWaalsContact O-CB 3.25Å; A126-T130 WeakPolarHBondContact O-CB 3.24Å; A126-T130 WeakPolarHBondContact O-CG2 3.4Å; A126-T130 PolarHBondContact O-N 2.96Å; T130-N132 PolarHBondContact O-N 3.43Å; T130-N132 VanDerWaalsContact O-N 3.15Å; T130-F154 WeakPolarHBondContact OG1-CA 3.27Å; T130-Y155 PolarHBondContact OG1-N 3.17Å; T130-Y155 PolarHBondContact OG1-O 2.82Å
131G97.2Very high92.6Very high14 Ų1446.5 Ų46.514%0.14426%0.26CS..THydrogen-bonded Turntrans73.6-8.6-17700000115.2L129 R152 L153L129-G131 PolarHBondContact O-N 3.18Å; G131-R152 WeakPolarHBondContact O-CD 3.41Å; G131-R152 PolarHBondContact O-NH1 2.9Å; G131-L153 WeakPolarHBondContact CA-O 3.23Å; G131-L153 PolarHBondContact N-O 3.43Å
132N97.4Very high93.9Very high60 Ų6044.8 Ų44.832%0.32124%0.241SC..THydrogen-bonded Turntrans-105.8-11.3-177.7-67.2-51.9000113.6F88 K89 V128 L129 T130F88-N132 HydrophobicContact CD2-CB 3.96Å; F88-N132 HydrophobicContact CE2-CB 3.73Å; K89-N132 HydrophobicContact CG-CB 4.2Å; K89-N132 PolarHBondContact N-O 3.03Å; V128-N132 PolarHBondContact O-ND2 2.94Å; L129-N132 PolarHBondContact O-N 3.1Å; T130-N132 PolarHBondContact O-N 3.43Å; T130-N132 VanDerWaalsContact O-N 3.15Å
133V97.3Very high95Very high3 Ų345.6 Ų45.62%0.01825%0.25CC..EExtended strand (participates in β ladder)trans-91.7130.1175.5177.90000110.2V86 F87 F88 L129 R152 L153 Y155V86-V133 HydrophobicContact CG1-CG1 3.81Å; F87-V133 CarbonylContact O-C 3.49Å; F87-V133 VanDerWaalsContact O-CA 3.25Å; F87-V133 WeakPolarHBondContact O-CA 3.25Å; F88-V133 HydrophobicContact CD2-CG2 4.23Å; L129-V133 HydrophobicContact CB-CG2 4Å; L129-V133 HydrophobicContact CD2-CG2 3.7Å; L129-V133 HydrophobicContact CG-CG2 4.42Å; L129-V133 PolarHBondContact O-N 3.01Å; V133-R152 WeakPolarHBondContact O-CA 3.18Å; V133-L153 HydrophobicContact CB-CB 4.26Å; V133-L153 HydrophobicContact CG1-CB 4.39Å; V133-L153 HydrophobicContact CG1-CD1 3.93Å; V133-L153 HydrophobicContact CG1-CG 4.23Å; V133-L153 PolarHBondContact O-N 2.95Å; V133-Y155 HydrophobicContact CB-CE2 4.46Å; V133-Y155 HydrophobicContact CG2-CE2 4.19Å
134V98.3Very high95.9Very high8 Ų844.1 Ų44.15%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-125.5124.8172.1178.10000108.6F87 R150 V151 R152F87-V134 HydrophobicContact CB-CB 4.5Å; F87-V134 PolarHBondContact N-O 3.06Å; F87-V134 PolarHBondContact O-N 3.07Å; V134-R150 HydrophobicContact CG1-CB 4.06Å; V134-V151 CarbonylContact C-O 3.58Å; V134-V151 WeakPolarHBondContact CA-O 3.44Å; V134-R152 HydrophobicContact CG2-CB 4.43Å; V134-R152 HydrophobicContact CG2-CG 4.49Å
135I98Very high96.5Very high28 Ų2845.4 Ų45.414%0.14425%0.248CC..EExtended strand (participates in β ladder)trans-91.7116.4168-59.3-177.7000107.3Q84 K85 V86 W96 R150 V151 L153Q84-I135 HydrophobicContact CB-CG2 4.43Å; K85-I135 WeakPolarHBondContact O-CA 3.16Å; V86-I135 HydrophobicContact CG2-CG1 4.44Å; W96-I135 HydrophobicContact CZ3-CD1 4.31Å; I135-R150 WeakPolarHBondContact O-CA 3.49Å; I135-V151 PolarHBondContact N-O 2.86Å; I135-V151 PolarHBondContact O-N 3.1Å; I135-L153 HydrophobicContact CD1-CD1 3.82Å; I135-L153 HydrophobicContact CD1-CD2 4.48Å; I135-L153 HydrophobicContact CD1-CG 4.4Å; I135-L153 HydrophobicContact CG1-CD1 4.14Å; I135-L153 HydrophobicContact CG1-CG 4.42Å
136E98.6Very high96.9Very high39 Ų3942.4 Ų42.418%0.18223%0.229CC..EExtended strand (participates in β ladder)trans-88.1131.1164.9-176.8176.59300108.4Q84 K85 F87 T148 S149 R150Q84-E136 CarbonylContact C-O 3.53Å; Q84-E136 VanDerWaalsContact CA-O 3.24Å; Q84-E136 WeakPolarHBondContact CA-O 3.26Å; K85-E136 PolarHBondContact N-O 2.96Å; K85-E136 PolarHBondContact O-N 2.91Å; F87-E136 HydrophobicContact CD2-CB 4.18Å; F87-E136 HydrophobicContact CE2-CB 3.75Å; E136-T148 HydrophobicContact CG-CG2 3.57Å; E136-S149 WeakPolarHBondContact CA-O 3.5Å; E136-R150 HydrophobicContact CG-CG 4.4Å
137T98.6Very high97.1Very high8 Ų841.8 Ų41.85%0.04922%0.223CC..EExtended strand (participates in β ladder)trans-122.3124.8175.3-540000109L82 Q84 F139 T148 S149L82-T137 HydrophobicContact CB-CG2 4.43Å; L82-T137 HydrophobicContact CD1-CG2 4.34Å; L82-T137 HydrophobicContact CD2-CG2 4.06Å; Q84-T137 HydrophobicContact CG-CG2 3.77Å; Q84-T137 PolarHBondContact NE2-OG1 2.9Å; T137-F139 HydrophobicContact CG2-CD2 4.18Å; T137-F139 HydrophobicContact CG2-CE1 4.33Å; T137-F139 HydrophobicContact CG2-CE2 3.59Å; T137-F139 HydrophobicContact CG2-CZ 3.67Å; T137-T148 CarbonylContact O-C 3.54Å; T137-T148 WeakPolarHBondContact O-CA 3.47Å; T137-S149 PolarHBondContact N-O 2.74Å; T137-S149 PolarHBondContact O-N 2.89Å
138K98.7Very high97.4Very high60 Ų6037.8 Ų37.826%0.26120%0.203SC..EExtended strand (participates in β ladder)trans-104134.7170.1-60-176.1179.9179.10109.3L82 E83 F140 S147 T148L82-K138 WeakPolarHBondContact CA-O 3.39Å; E83-K138 HydrophobicContact CB-CB 4.34Å; E83-K138 PolarHBondContact N-O 2.87Å; E83-K138 VanDerWaalsContact N-O 3.08Å; E83-K138 PolarHBondContact O-N 3.46Å; K138-F140 HydrophobicContact CB-CD2 4.03Å; K138-F140 HydrophobicContact CB-CE2 3.36Å; K138-F140 HydrophobicContact CB-CZ 4.1Å; K138-F140 HydrophobicContact CD-CE2 3.99Å; K138-F140 HydrophobicContact CD-CZ 4.04Å; K138-F140 HydrophobicContact CG-CE2 4.35Å; K138-S147 WeakPolarHBondContact CA-O 3.23Å; K138-T148 HydrophobicContact CG-CG2 4.19Å
139F98.6Very high97.7Very high14 Ų1435.2 Ų35.26%0.06119%0.188CC..EExtended strand (participates in β ladder)trans-105.7131.4178.9-61.7-102.1000108.4F21 F80 L82 T137 V146 S147F21-F139 HydrophobicContact CE1-CD1 4.22Å; F21-F139 HydrophobicContact CE1-CE1 4.09Å; F21-F139 HydrophobicContact CZ-CD1 4.26Å; F21-F139 HydrophobicContact CZ-CE1 4.3Å; F80-F139 HydrophobicContact CE2-CB 4.36Å; F80-F139 HydrophobicContact CE2-CD1 4.01Å; F80-F139 AromaticContact CZ-CD1 3.93Å; F80-F139 HydrophobicContact CZ-CD1 3.93Å; L82-F139 HydrophobicContact CD2-CB 4.3Å; L82-F139 HydrophobicContact CD2-CD1 3.2Å; L82-F139 HydrophobicContact CD2-CE1 3.48Å; L82-F139 VanDerWaalsContact CD2-CE1 3.48Å; L82-F139 HydrophobicContact CD2-CG 3.78Å; L82-F139 HydrophobicContact CD2-CZ 4.26Å; T137-F139 HydrophobicContact CG2-CD2 4.18Å; T137-F139 HydrophobicContact CG2-CE1 4.33Å; T137-F139 HydrophobicContact CG2-CE2 3.59Å; T137-F139 HydrophobicContact CG2-CZ 3.67Å; F139-V146 HydrophobicContact CB-CB 4.3Å; F139-V146 WeakPolarHBondContact O-CB 3.33Å; F139-V146 PolarHBondContact O-N 3.47Å; F139-S147 WeakPolarHBondContact CD2-OG 3.34Å; F139-S147 PolarHBondContact N-O 2.87Å
140F98.7Very high97.9Very high24 Ų2439.9 Ų39.911%0.10520%0.204CC..EExtended strand (participates in β ladder)trans-132.8149.4-176.1-72.1-89.3000112.2F80 H81 E83 K138 L144 H145F80-F140 WeakPolarHBondContact CA-O 3.38Å; F80-F140 VanDerWaalsContact CD2-O 3.29Å; F80-F140 WeakPolarHBondContact CD2-O 3.16Å; H81-F140 WeakPolarHBondContact CE1-CB 3.44Å; H81-F140 PolarHBondContact N-O 2.86Å; H81-F140 VanDerWaalsContact N-O 3.07Å; H81-F140 VanDerWaalsContact NE2-CB 3.35Å; H81-F140 WeakPolarHBondContact NE2-CB 3.25Å; H81-F140 AromaticContact NE2-CD2 3.92Å; H81-F140 AromaticContact NE2-CG 3.69Å; H81-F140 PolarHBondContact O-N 2.88Å; E83-F140 HydrophobicContact CB-CE2 4.17Å; E83-F140 HydrophobicContact CG-CD2 4.15Å; E83-F140 HydrophobicContact CG-CE2 3.78Å; K138-F140 HydrophobicContact CB-CD2 4.03Å; K138-F140 HydrophobicContact CB-CE2 3.36Å; K138-F140 HydrophobicContact CB-CZ 4.1Å; K138-F140 HydrophobicContact CD-CE2 3.99Å; K138-F140 HydrophobicContact CD-CZ 4.04Å; K138-F140 HydrophobicContact CG-CE2 4.35Å; F140-L144 VanDerWaalsContact CA-O 3.24Å; F140-L144 WeakPolarHBondContact CA-O 3.48Å; F140-H145 HydrophobicContact CD1-CB 4.06Å; F140-H145 HydrophobicContact CE1-CB 3.61Å; F140-H145 AromaticContact CE1-CD2 3.94Å; F140-H145 HydrophobicContact CZ-CB 4.34Å; F140-H145 AromaticContact CZ-CD2 3.87Å
141D98.5Very high97.9Very high17 Ų1738.2 Ų38.29%0.09119%0.194CC..EExtended strand (participates in β ladder)trans-118.899.7161-17721.1000108.6I17 L77 E78 K79 D143 L144I17-D141 HydrophobicContact CD1-CB 4.33Å; L77-D141 WeakPolarHBondContact CA-OD2 3.37Å; L77-D141 HydrophobicContact CB-CB 4.38Å; L77-D141 HydrophobicContact CD2-CB 4.01Å; E78-D141 PolarHBondContact N-OD1 3.5Å; E78-D141 PolarHBondContact N-OD2 2.77Å; K79-D141 PolarHBondContact N-OD1 3.37Å; D141-D143 PolarHBondContact O-N 3.5Å; D141-L144 PolarHBondContact N-O 2.78Å; D141-L144 VanDerWaalsContact O-CB 3.23Å; D141-L144 WeakPolarHBondContact O-CB 3.43Å; D141-L144 PolarHBondContact O-N 2.84Å
142D97.1Very high98Very high79 Ų7940.5 Ų40.542%0.42220%0.199SC..THydrogen-bonded Turntrans51.3-132-164.6-154.932.4000110.4K79 H81 L144K79-D142 HydrophobicContact CB-CB 4.15Å; K79-D142 PolarHBondContact O-N 2.78Å; H81-D142 PolarHBondContact CE1-O 2.7Å; D142-L144 PolarHBondContact O-N 3.01Å
143D96.6Very high98Very high152 Ų15238.6 Ų38.681%0.81319%0.188SC*.THydrogen-bonded Turntrans-73.3-4.9179.8-64.4-33.8000114.1D141 H145D141-D143 PolarHBondContact O-N 3.5Å; D143-H145 PolarHBondContact O-N 2.73Å
144L97.8Very high98.1Very high28 Ų2840.8 Ų40.815%0.14720%0.198CC..EExtended strand (participates in β ladder)trans-79.4109.9-178.3179.255.7000111.6T10 R13 A14 I17 F140 D141 D142 V146T10-L144 HydrophobicContact CG2-CD1 3.32Å; R13-L144 HydrophobicContact CB-CD2 4.07Å; R13-L144 HydrophobicContact CG-CD2 3.54Å; A14-L144 HydrophobicContact CB-CD1 4Å; A14-L144 HydrophobicContact CB-CG 4.4Å; I17-L144 HydrophobicContact CD1-CD2 3.81Å; F140-L144 VanDerWaalsContact CA-O 3.24Å; F140-L144 WeakPolarHBondContact CA-O 3.48Å; D141-L144 PolarHBondContact N-O 2.78Å; D141-L144 VanDerWaalsContact O-CB 3.23Å; D141-L144 WeakPolarHBondContact O-CB 3.43Å; D141-L144 PolarHBondContact O-N 2.84Å; D142-L144 PolarHBondContact O-N 3.01Å; L144-V146 PolarHBondContact O-N 2.78Å
145H97.9Very high98Very high81 Ų8141.6 Ų41.638%0.37520%0.2SC..EExtended strand (participates in β ladder)trans-70.4117.5168.5-178.7-124.4000111.2A14 F140 D143 S147 T148A14-H145 WeakPolarHBondContact CB-O 3.44Å; F140-H145 HydrophobicContact CD1-CB 4.06Å; F140-H145 HydrophobicContact CE1-CB 3.61Å; F140-H145 AromaticContact CE1-CD2 3.94Å; F140-H145 HydrophobicContact CZ-CB 4.34Å; F140-H145 AromaticContact CZ-CD2 3.87Å; D143-H145 PolarHBondContact O-N 2.73Å; H145-S147 PolarHBondContact NE2-O 3.15Å; H145-T148 PolarHBondContact CE1-OG1 2.86Å; H145-T148 PolarHBondContact NE2-OG1 2.95Å
146V97.5Very high97.8Very high17 Ų1745.2 Ų45.210%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-92.6-52-177.9176.20000111.5I17 L18 F139 L144I17-V146 HydrophobicContact CB-CG1 4.03Å; I17-V146 HydrophobicContact CB-CG2 4.31Å; I17-V146 HydrophobicContact CD1-CG2 4.07Å; I17-V146 HydrophobicContact CG2-CB 4.47Å; I17-V146 HydrophobicContact CG2-CG1 3.66Å; I17-V146 HydrophobicContact CG2-CG2 3.94Å; L18-V146 HydrophobicContact CB-CG1 4.04Å; F139-V146 HydrophobicContact CB-CB 4.3Å; F139-V146 WeakPolarHBondContact O-CB 3.33Å; F139-V146 PolarHBondContact O-N 3.47Å; L144-V146 PolarHBondContact O-N 2.78Å
147S96Very high97.8Very high6 Ų645.6 Ų45.64%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-158.8162.5-178.271.20000112.4K138 F139 H145K138-S147 WeakPolarHBondContact CA-O 3.23Å; F139-S147 WeakPolarHBondContact CD2-OG 3.34Å; F139-S147 PolarHBondContact N-O 2.87Å; H145-S147 PolarHBondContact NE2-O 3.15Å
148T98.5Very high97.7Very high42 Ų4247.5 Ų47.526%0.25824%0.235SC..EExtended strand (participates in β ladder)trans-128.4123.1169.8-59.20000109.1P47 E136 T137 K138 H145P47-T148 WeakPolarHBondContact CA-O 3.44Å; P47-T148 VanDerWaalsContact CB-O 3.25Å; P47-T148 WeakPolarHBondContact CB-O 3.36Å; E136-T148 HydrophobicContact CG-CG2 3.57Å; T137-T148 CarbonylContact O-C 3.54Å; T137-T148 WeakPolarHBondContact O-CA 3.47Å; K138-T148 HydrophobicContact CG-CG2 4.19Å; H145-T148 PolarHBondContact CE1-OG1 2.86Å; H145-T148 PolarHBondContact NE2-OG1 2.95Å
149S98.4Very high97.7Very high2 Ų246.8 Ų46.81%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-115.4159.5173.576.90000111.2L44 E136 T137L44-S149 WeakPolarHBondContact O-CB 3.44Å; L44-S149 PolarHBondContact O-OG 3.49Å; E136-S149 WeakPolarHBondContact CA-O 3.5Å; T137-S149 PolarHBondContact N-O 2.74Å; T137-S149 PolarHBondContact O-N 2.89Å
150R98.6Very high97.6Very high109 Ų10948.8 Ų48.841%0.41124%0.243SC..EExtended strand (participates in β ladder)trans-134.1131.6-179.5-62.6-179.971.9177.54109.9E50 H51 V134 I135 E136E50-R150 HydrophobicContact CG-CB 4.48Å; H51-R150 PolarHBondContact CD2-O 3.08Å; H51-R150 PolarHBondContact N-O 3.37Å; V134-R150 HydrophobicContact CG1-CB 4.06Å; I135-R150 WeakPolarHBondContact O-CA 3.49Å; E136-R150 HydrophobicContact CG-CG 4.4Å
151V98.6Very high97.6Very high12 Ų1250.3 Ų50.37%0.07325%0.252CS..EExtended strand (participates in β ladder)trans-124.8117.8179-170.40000109.3L44 H51 A53 V134 I135 L153L44-V151 HydrophobicContact CB-CG2 4.17Å; L44-V151 HydrophobicContact CD1-CG2 4.36Å; L44-V151 HydrophobicContact CD2-CG2 4.31Å; H51-V151 HydrophobicContact CB-CB 4.42Å; H51-V151 HydrophobicContact CB-CG1 4.24Å; H51-V151 HydrophobicContact CB-CG2 4.12Å; H51-V151 CarbonylContact O-C 3.59Å; H51-V151 WeakPolarHBondContact O-CA 3.43Å; A53-V151 HydrophobicContact CB-CG1 3.84Å; V134-V151 CarbonylContact C-O 3.58Å; V134-V151 WeakPolarHBondContact CA-O 3.44Å; I135-V151 PolarHBondContact N-O 2.86Å; I135-V151 PolarHBondContact O-N 3.1Å; V151-L153 HydrophobicContact CG1-CD2 4.22Å
152R98.5Very high97.5Very high62 Ų6252.5 Ų52.523%0.23426%0.263CS..EExtended strand (participates in β ladder)trans-81.6128.8171.6-174174.6-61.7-76.9-9.2110.3E50 H51 E52 A53 G131 V133 V134 F154E50-R152 HydrophobicContact CG-CB 4.33Å; E50-R152 IonicContact OE1-CZ 3.14Å; E50-R152 IonicContact OE1-NE 2.69Å; E50-R152 PolarHBondContact OE1-NE 2.59Å; E50-R152 IonicContact OE1-NH2 2.77Å; E50-R152 PolarHBondContact OE1-NH2 3.28Å; E50-R152 IonicContact OE2-CZ 3.76Å; E50-R152 IonicContact OE2-NE 3.98Å; E50-R152 IonicContact OE2-NH2 2.86Å; E50-R152 PolarHBondContact OE2-NH2 3.31Å; H51-R152 PolarHBondContact O-N 3.21Å; E52-R152 WeakPolarHBondContact CA-O 3.39Å; A53-R152 PolarHBondContact N-O 2.76Å; G131-R152 WeakPolarHBondContact O-CD 3.41Å; G131-R152 PolarHBondContact O-NH1 2.9Å; V133-R152 WeakPolarHBondContact O-CA 3.18Å; V134-R152 HydrophobicContact CG2-CB 4.43Å; V134-R152 HydrophobicContact CG2-CG 4.49Å; R152-F154 HydrophobicContact CB-CE2 4.39Å; R152-F154 HydrophobicContact CG-CE2 3.91Å; R152-F154 HydrophobicContact CG-CZ 4.13Å
153L98Very high97.5Very high20 Ų2050.6 Ų50.611%0.10525%0.251CS..EExtended strand (participates in β ladder)trans-96.7134.3-179.6-57.9-171.5000112A53 G131 V133 I135 V151 Y155A53-L153 HydrophobicContact CB-CD2 3.88Å; G131-L153 WeakPolarHBondContact CA-O 3.23Å; G131-L153 PolarHBondContact N-O 3.43Å; V133-L153 HydrophobicContact CB-CB 4.26Å; V133-L153 HydrophobicContact CG1-CB 4.39Å; V133-L153 HydrophobicContact CG1-CD1 3.93Å; V133-L153 HydrophobicContact CG1-CG 4.23Å; V133-L153 PolarHBondContact O-N 2.95Å; I135-L153 HydrophobicContact CD1-CD1 3.82Å; I135-L153 HydrophobicContact CD1-CD2 4.48Å; I135-L153 HydrophobicContact CD1-CG 4.4Å; I135-L153 HydrophobicContact CG1-CD1 4.14Å; I135-L153 HydrophobicContact CG1-CG 4.42Å; V151-L153 HydrophobicContact CG1-CD2 4.22Å; L153-Y155 HydrophobicContact CB-CE2 4.22Å
154F97.9Very high97.6Very high48 Ų4842.8 Ų42.821%0.21121%0.208CC..EExtended strand (participates in β ladder)trans-117.4121.7168.8-63.8-89.9000109.1E52 A53 R54 V55 T130 R152E52-F154 HydrophobicContact CB-CD2 4.44Å; E52-F154 HydrophobicContact CB-CE2 4.17Å; E52-F154 HydrophobicContact CG-CE2 3.88Å; A53-F154 PolarHBondContact O-N 3.18Å; R54-F154 CarbonylContact C-O 3.57Å; R54-F154 WeakPolarHBondContact CA-O 3.15Å; R54-F154 HydrophobicContact CG-CB 4.14Å; V55-F154 PolarHBondContact N-O 2.57Å; T130-F154 WeakPolarHBondContact OG1-CA 3.27Å; R152-F154 HydrophobicContact CB-CE2 4.39Å; R152-F154 HydrophobicContact CG-CE2 3.91Å; R152-F154 HydrophobicContact CG-CZ 4.13Å
155Y96.3Very high97.6Very high25 Ų2544.1 Ų44.110%0.09821%0.213CC..EExtended strand (participates in β ladder)trans-91.7107.1176.5-60.7-89000108.9V55 K57 I59 L60 L129 T130 V133 L153V55-Y155 HydrophobicContact CG2-CD1 3.65Å; V55-Y155 HydrophobicContact CG2-CE1 3.8Å; V55-Y155 HydrophobicContact CG2-CG 4.32Å; V55-Y155 CarbonylContact O-C 3.52Å; V55-Y155 WeakPolarHBondContact O-CA 3.11Å; K57-Y155 VanDerWaalsContact CE-O 3.25Å; K57-Y155 WeakPolarHBondContact CE-O 3.24Å; I59-Y155 HydrophobicContact CG2-CD1 3.98Å; I59-Y155 HydrophobicContact CG2-CE1 3.86Å; L60-Y155 HydrophobicContact CD1-CD1 3.81Å; L60-Y155 HydrophobicContact CD1-CE1 4.05Å; L60-Y155 HydrophobicContact CD1-CG 4.21Å; L60-Y155 HydrophobicContact CD2-CD1 4.11Å; L60-Y155 HydrophobicContact CD2-CE1 3.48Å; L60-Y155 VanDerWaalsContact CD2-CE1 3.48Å; L60-Y155 HydrophobicContact CG-CD1 3.84Å; L60-Y155 HydrophobicContact CG-CE1 3.73Å; L129-Y155 HydrophobicContact CB-CD2 3.74Å; L129-Y155 HydrophobicContact CB-CE2 3.56Å; L129-Y155 HydrophobicContact CD1-CE2 4.29Å; T130-Y155 PolarHBondContact OG1-N 3.17Å; T130-Y155 PolarHBondContact OG1-O 2.82Å; V133-Y155 HydrophobicContact CB-CE2 4.46Å; V133-Y155 HydrophobicContact CG2-CE2 4.19Å; L153-Y155 HydrophobicContact CB-CE2 4.22Å
156V94.7Very high97.5Very high105 Ų10540.7 Ų40.764%0.63620%0.199SC*.  trans-103.80-174.8-65.10000113.1R54 V55 P56 K57R54-V156 HydrophobicContact CB-CG1 4.41Å; R54-V156 HydrophobicContact CB-CG2 4.27Å; V55-V156 PolarHBondContact O-N 3.02Å; P56-V156 WeakPolarHBondContact CA-O 3.49Å; K57-V156 WeakPolarHBondContact CE-OXT 3.46Å; K57-V156 WeakPolarHBondContact CG-O 3.27Å; K57-V156 PolarHBondContact N-O 3.12Å; K57-V156 PolarHBondContact NZ-OXT 2.87Å

Retrieved 156 of 156 residues in 728.4 ms (Link to these results)

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