G4VQJ4_SCHMA Loading...

Adenine phosphoribosyltransferase

Catalyzes a salvage reaction resulting in the formation of AMP, that is energically less costly than de novo synthesis.

AlphaFold DB , UniProt , Accession G4VQJ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M57.3Low90.8Very high159 Ų15971.8 Ų71.878%0.78336%0.359SS*.  0132.40-72.5166.117.100107.4E5 S6 R9M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-S6 VanDerWaalsContact CE-OG 3.31Å; M1-S6 WeakPolarHBondContact CE-OG 3.48Å; M1-R9 VanDerWaalsContact SD-CZ 3.52Å; M1-R9 PolarHBondContact SD-NH1 2.72Å; M1-R9 PolarHBondContact SD-NH2 2.98Å
2S81.8Confident91.3Very high54 Ų5473.5 Ų73.538%0.37837%0.365SS..  trans-69.2156.1171.765.40000110.3R4 E5 S6S2-R4 PolarHBondContact O-N 3.15Å; S2-E5 PolarHBondContact N-OE2 2.68Å; S2-E5 VanDerWaalsContact N-OE2 3.08Å; S2-E5 PolarHBondContact O-N 2.94Å; S2-E5 VanDerWaalsContact OG-CG 3.29Å; S2-E5 WeakPolarHBondContact OG-CG 3.25Å; S2-E5 PolarHBondContact OG-N 3.17Å; S2-E5 PolarHBondContact OG-OE1 3.01Å; S2-S6 PolarHBondContact O-N 3.17Å; S2-S6 PolarHBondContact O-OG 3.26Å
3D90.6Very high91.7Very high117 Ų11775.5 Ų75.563%0.62639%0.39SS*.Hα-helixtrans-56.3-37.7174.4179.348.4000111.6S6 R7D3-S6 PolarHBondContact O-N 3.37Å; D3-R7 VanDerWaalsContact CG-NH1 3.29Å; D3-R7 PolarHBondContact O-N 3.01Å; D3-R7 VanDerWaalsContact O-N 3.16Å; D3-R7 IonicContact OD1-NH1 2.78Å; D3-R7 IonicContact OD2-CZ 2.75Å; D3-R7 IonicContact OD2-NH1 3.29Å; D3-R7 PolarHBondContact OD2-NH1 3.36Å
4R93.6Very high92.1Very high96 Ų9671.4 Ų71.436%0.36237%0.373SS..Hα-helixtrans-60.8-48.1174-178173.2-173.4-115.5-4.3113.6S2 S6 R7 L8 E47S2-R4 PolarHBondContact O-N 3.15Å; R4-S6 PolarHBondContact O-N 3.13Å; R4-R7 PolarHBondContact O-N 2.92Å; R4-L8 HydrophobicContact CG-CD1 4.08Å; R4-L8 HydrophobicContact CG-CG 4.48Å; R4-L8 WeakPolarHBondContact O-CG 3.45Å; R4-L8 PolarHBondContact O-N 2.85Å; R4-E47 IonicContact CZ-OE2 3.58Å; R4-E47 IonicContact NE-OE2 2.86Å; R4-E47 PolarHBondContact NE-OE2 3.1Å; R4-E47 IonicContact NH2-OE2 3.53Å
5E94.1Very high92.4Very high92 Ų9268.5 Ų68.543%0.4336%0.357SS..Hα-helixtrans-61-33178.5-77.5160.8-158.800112.8M1 S2 R9M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; S2-E5 PolarHBondContact N-OE2 2.68Å; S2-E5 VanDerWaalsContact N-OE2 3.08Å; S2-E5 PolarHBondContact O-N 2.94Å; S2-E5 VanDerWaalsContact OG-CG 3.29Å; S2-E5 WeakPolarHBondContact OG-CG 3.25Å; S2-E5 PolarHBondContact OG-N 3.17Å; S2-E5 PolarHBondContact OG-OE1 3.01Å; E5-R9 PolarHBondContact O-N 3.47Å; E5-R9 PolarHBondContact O-NE 2.93Å
6S95.7Very high92.6Very high48 Ų4873.5 Ų73.534%0.33637%0.37SS..Hα-helixtrans-69.9-43.4177.2-57.40000110.9M1 S2 D3 R4 A10M1-S6 VanDerWaalsContact CE-OG 3.31Å; M1-S6 WeakPolarHBondContact CE-OG 3.48Å; S2-S6 PolarHBondContact O-N 3.17Å; S2-S6 PolarHBondContact O-OG 3.26Å; D3-S6 PolarHBondContact O-N 3.37Å; R4-S6 PolarHBondContact O-N 3.13Å; S6-A10 WeakPolarHBondContact O-CB 3.06Å; S6-A10 PolarHBondContact O-N 3.5Å
7R95.9Very high92.8Very high48 Ų4873.3 Ų73.318%0.18137%0.373CS..Hα-helixtrans-60.8-49.2174.1-73-163.6-64.5-87.80112.4D3 R4 R9 A10 I11 Y43 E47D3-R7 VanDerWaalsContact CG-NH1 3.29Å; D3-R7 PolarHBondContact O-N 3.01Å; D3-R7 VanDerWaalsContact O-N 3.16Å; D3-R7 IonicContact OD1-NH1 2.78Å; D3-R7 IonicContact OD2-CZ 2.75Å; D3-R7 IonicContact OD2-NH1 3.29Å; D3-R7 PolarHBondContact OD2-NH1 3.36Å; R4-R7 PolarHBondContact O-N 2.92Å; R7-R9 VanDerWaalsContact C-N 3.33Å; R7-R9 PolarHBondContact O-N 3.46Å; R7-A10 WeakPolarHBondContact O-CB 3.3Å; R7-A10 PolarHBondContact O-N 3.17Å; R7-A10 VanDerWaalsContact O-N 3.12Å; R7-I11 WeakPolarHBondContact O-CG1 3.35Å; R7-I11 PolarHBondContact O-N 2.92Å; R7-Y43 HydrophobicContact CB-CD2 3.99Å; R7-Y43 HydrophobicContact CB-CE2 4.49Å; R7-Y43 HydrophobicContact CB-CG 4.14Å; R7-Y43 HydrophobicContact CG-CD1 3.95Å; R7-Y43 HydrophobicContact CG-CD2 3.71Å; R7-Y43 HydrophobicContact CG-CE1 4.08Å; R7-Y43 HydrophobicContact CG-CE2 3.85Å; R7-Y43 HydrophobicContact CG-CG 3.76Å; R7-E47 IonicContact CZ-OE1 3.84Å; R7-E47 VanDerWaalsContact CZ-OE1 3.29Å; R7-E47 IonicContact NE-OE1 3.94Å; R7-E47 PolarHBondContact NE-OE1 3.38Å; R7-E47 IonicContact NH2-OE1 3.02Å; R7-E47 PolarHBondContact NH2-OE1 3.32Å
8L97.1Very high93Very high28 Ų2872.2 Ų72.215%0.14737%0.37CS..Hα-helixtrans-59.5-43.7-178.9-71.6173.3000111.6R4 A10 I11 E12 E47 L183 F184R4-L8 HydrophobicContact CG-CD1 4.08Å; R4-L8 HydrophobicContact CG-CG 4.48Å; R4-L8 WeakPolarHBondContact O-CG 3.45Å; R4-L8 PolarHBondContact O-N 2.85Å; L8-A10 PolarHBondContact O-N 2.93Å; L8-I11 PolarHBondContact O-N 3.2Å; L8-E12 WeakPolarHBondContact O-CB 3.41Å; L8-E12 PolarHBondContact O-N 2.61Å; L8-E47 HydrophobicContact CD2-CB 4.4Å; L8-E47 HydrophobicContact CD2-CG 3.88Å; L8-E47 HydrophobicContact CG-CG 4.49Å; L8-L183 HydrophobicContact CD2-CB 4.46Å; L8-F184 HydrophobicContact CB-CE1 4.19Å; L8-F184 HydrophobicContact CD2-CE1 4Å; L8-F184 HydrophobicContact CD2-CZ 4.03Å; L8-F184 WeakPolarHBondContact O-CE1 3.34Å
9R96.7Very high93.1Very high116 Ų11672.6 Ų72.644%0.43838%0.378SS..Hα-helixtrans-63.8-38.7174.4-85.4-178.1-77.3-178.9-16.1113.4M1 E5 R7 I11 E12 S13M1-R9 VanDerWaalsContact SD-CZ 3.52Å; M1-R9 PolarHBondContact SD-NH1 2.72Å; M1-R9 PolarHBondContact SD-NH2 2.98Å; E5-R9 PolarHBondContact O-N 3.47Å; E5-R9 PolarHBondContact O-NE 2.93Å; R7-R9 VanDerWaalsContact C-N 3.33Å; R7-R9 PolarHBondContact O-N 3.46Å; R9-I11 VanDerWaalsContact C-N 3.34Å; R9-E12 PolarHBondContact O-N 2.97Å; R9-S13 WeakPolarHBondContact O-CB 3.08Å; R9-S13 PolarHBondContact O-N 2.94Å; R9-S13 PolarHBondContact O-OG 3.05Å
10A97.6Very high93.2Very high32 Ų3273.7 Ų73.726%0.26439%0.385SS..Hα-helixtrans-63.1-42.9176.400000111.2S6 R7 L8 S13 L40S6-A10 WeakPolarHBondContact O-CB 3.06Å; S6-A10 PolarHBondContact O-N 3.5Å; R7-A10 WeakPolarHBondContact O-CB 3.3Å; R7-A10 PolarHBondContact O-N 3.17Å; R7-A10 VanDerWaalsContact O-N 3.12Å; L8-A10 PolarHBondContact O-N 2.93Å; A10-S13 PolarHBondContact O-OG 2.79Å; A10-L40 HydrophobicContact CB-CD2 3.73Å
11I98Very high93.2Very high0 Ų075.1 Ų75.10%039%0.388CS..Hα-helixtrans-61.9-52.8174.3-62.7160.3000110.3R7 L8 R9 S13 A14 V34 L44 F184R7-I11 WeakPolarHBondContact O-CG1 3.35Å; R7-I11 PolarHBondContact O-N 2.92Å; L8-I11 PolarHBondContact O-N 3.2Å; R9-I11 VanDerWaalsContact C-N 3.34Å; I11-S13 VanDerWaalsContact C-N 3.26Å; I11-S13 PolarHBondContact O-N 3.48Å; I11-A14 PolarHBondContact O-N 2.83Å; I11-V34 HydrophobicContact CG2-CG1 4.11Å; I11-V34 HydrophobicContact CG2-CG2 3.84Å; I11-L44 HydrophobicContact CD1-CB 4.12Å; I11-F184 HydrophobicContact CB-CZ 3.83Å; I11-F184 HydrophobicContact CD1-CZ 4.44Å; I11-F184 HydrophobicContact CG2-CE2 3.8Å; I11-F184 HydrophobicContact CG2-CZ 3.51Å
12E96.8Very high94.7Very high92 Ų9271.8 Ų71.843%0.4338%0.378SS..Hα-helixtrans-57.8-39.3-177.5-172175.8-159.600112L8 R9 A14 I15 F184L8-E12 WeakPolarHBondContact O-CB 3.41Å; L8-E12 PolarHBondContact O-N 2.61Å; R9-E12 PolarHBondContact O-N 2.97Å; E12-A14 PolarHBondContact O-N 3.15Å; E12-A14 VanDerWaalsContact O-N 3.16Å; E12-I15 WeakPolarHBondContact O-CB 3.18Å; E12-I15 PolarHBondContact O-N 3.48Å; E12-F184 HydrophobicContact CB-CD1 4.11Å; E12-F184 HydrophobicContact CB-CE1 3.91Å; E12-F184 HydrophobicContact CG-CD1 4.33Å
13S96.8Very high95.1Very high100 Ų10074.5 Ų74.570%0.69939%0.385SS*.Hα-helixtrans-62.9-20.6177.675.80000114.4R9 A10 I11R9-S13 WeakPolarHBondContact O-CB 3.08Å; R9-S13 PolarHBondContact O-N 2.94Å; R9-S13 PolarHBondContact O-OG 3.05Å; A10-S13 PolarHBondContact O-OG 2.79Å; I11-S13 VanDerWaalsContact C-N 3.26Å; I11-S13 PolarHBondContact O-N 3.48Å
14A97.4Very high95.2Very high18 Ų1878.2 Ų78.215%0.14940%0.395CS..THydrogen-bonded Turntrans-94.7-3.3177.400000113.2I11 E12 G33 V34 L40I11-A14 PolarHBondContact O-N 2.83Å; E12-A14 PolarHBondContact O-N 3.15Å; E12-A14 VanDerWaalsContact O-N 3.16Å; A14-G33 WeakPolarHBondContact O-CA 3.39Å; A14-V34 HydrophobicContact CB-CG2 4.02Å; A14-L40 HydrophobicContact CB-CD1 3.52Å
15I96.7Very high95.1Very high27 Ų2776.8 Ų76.814%0.13841%0.411CS..PPolyproline II helixtrans-82.5121.9173.8-58.4174.7000108.7E12 R29 F31 V34 M162 F184E12-I15 WeakPolarHBondContact O-CB 3.18Å; E12-I15 PolarHBondContact O-N 3.48Å; I15-R29 HydrophobicContact CG2-CB 4.11Å; I15-F31 HydrophobicContact CG1-CB 4.33Å; I15-V34 HydrophobicContact CG1-CG2 4.02Å; I15-M162 HydrophobicContact CD1-CG 4.32Å; I15-M162 HydrophobicContact CD1-SD 3.88Å; I15-M162 HydrophobicContact CG2-SD 3.93Å; I15-F184 HydrophobicContact CD1-CD2 4.07Å; I15-F184 HydrophobicContact CD1-CE2 4.15Å
16R95.8Very high94.8Very high149 Ų14975.8 Ų75.856%0.56241%0.408SS*.EExtended strand (participates in β ladder)trans-96149.9179.4-61.7-172.9-60.4179.7-0.6111.1D30R16-D30 HydrophobicContact CB-CB 4.35Å; R16-D30 IonicContact CZ-OD2 3.41Å; R16-D30 PolarHBondContact N-O 3.26Å; R16-D30 IonicContact NE-OD2 3.26Å; R16-D30 PolarHBondContact NE-OD2 3.36Å; R16-D30 IonicContact NH2-OD2 2.72Å; R16-D30 PolarHBondContact NH2-OD2 3.04Å; R16-D30 PolarHBondContact O-N 2.91Å
17V95.6Very high94.7Very high70 Ų7078.2 Ų78.242%0.42442%0.416SS..EExtended strand (participates in β ladder)trans-101.1117.5171-170.70000108.8L27 F28V17-L27 HydrophobicContact CG1-CB 3.95Å; V17-L27 HydrophobicContact CG1-CD2 4.12Å; V17-L27 HydrophobicContact CG1-CG 4.47Å; V17-F28 CarbonylContact C-O 3.47Å; V17-F28 WeakPolarHBondContact CA-O 3.35Å
18V95.9Very high94.5Very high53 Ų5377.3 Ų77.332%0.32141%0.414SS..EExtended strand (participates in β ladder)trans-104.6107.1174.9-177.40000108.1F21 F28 D30V18-F21 HydrophobicContact CG1-CB 4.07Å; V18-F28 HydrophobicContact CB-CB 4.24Å; V18-F28 HydrophobicContact CB-CD1 4.4Å; V18-F28 PolarHBondContact N-O 3.28Å; V18-F28 WeakPolarHBondContact O-CB 3.18Å; V18-F28 PolarHBondContact O-N 2.8Å; V18-D30 HydrophobicContact CG2-CB 4.03Å
19P96.3Very high94.4Very high80 Ų8078.7 Ų78.752%0.51942%0.417SS..EExtended strand (participates in β ladder)trans-72.3149-179.230-34.6000111.5F21 I26 L27P19-F21 PolarHBondContact O-N 3.41Å; P19-I26 CarbonylContact C-O 3.59Å; P19-L27 HydrophobicContact CB-CD2 4.12Å
20N95.1Very high94.3Very high95 Ų9573.9 Ų73.951%0.50840%0.4SS..THydrogen-bonded Turntrans6137.2175.1-55.3-57.4000114.6Q23 G25 I26N20-Q23 CarbonylContact C-O 3.57Å; N20-Q23 WeakPolarHBondContact CA-O 3.45Å; N20-G25 PolarHBondContact OD1-N 2.85Å; N20-I26 WeakPolarHBondContact CA-O 3.46Å; N20-I26 PolarHBondContact N-O 3.35Å
21F92.8Very high94.2Very high104 Ų10472.5 Ų72.546%0.45639%0.388SS..  trans-131.6139.5175.5-176.4-91.7000111.5V18 P19 Q23 I26 F28V18-F21 HydrophobicContact CG1-CB 4.07Å; P19-F21 PolarHBondContact O-N 3.41Å; F21-Q23 PolarHBondContact N-O 2.67Å; F21-I26 PolarHBondContact N-O 3.45Å; F21-I26 VanDerWaalsContact O-CB 3.29Å; F21-I26 WeakPolarHBondContact O-CB 3.37Å; F21-I26 WeakPolarHBondContact O-CG2 3.42Å; F21-F28 HydrophobicContact CB-CB 4.12Å; F21-F28 HydrophobicContact CD1-CB 3.91Å; F21-F28 AromaticContact CD1-CD1 3.96Å; F21-F28 HydrophobicContact CD1-CD1 3.96Å; F21-F28 AromaticContact CD1-CD2 3.84Å; F21-F28 HydrophobicContact CD1-CD2 3.84Å; F21-F28 HydrophobicContact CD1-CE1 4.47Å; F21-F28 HydrophobicContact CD1-CE2 4.38Å; F21-F28 AromaticContact CD1-CG 3.62Å; F21-F28 HydrophobicContact CD1-CG 3.62Å; F21-F28 HydrophobicContact CE1-CD1 4.43Å; F21-F28 HydrophobicContact CE1-CD2 4.23Å; F21-F28 HydrophobicContact CE1-CE2 4.32Å; F21-F28 HydrophobicContact CE1-CG 4.3Å; F21-F28 HydrophobicContact CE1-CZ 4.47Å; F21-F28 WeakPolarHBondContact O-CB 3.4Å
22P89Confident94.1Very high88 Ų8877.4 Ų77.457%0.57141%0.41SS*.SBendcis-74-7.5-6.232.6-36.9000113.4I26P22-I26 HydrophobicContact CG-CD1 4.41Å
23Q89.5Confident94.2Very high112 Ų11274.2 Ų74.252%0.52340%0.401SS..SBendtrans-133.3161.1178.4-60.3-177.51100110.7N20 F21 G25 I26N20-Q23 CarbonylContact C-O 3.57Å; N20-Q23 WeakPolarHBondContact CA-O 3.45Å; F21-Q23 PolarHBondContact N-O 2.67Å; Q23-G25 PolarHBondContact O-N 2.97Å; Q23-I26 HydrophobicContact CB-CD1 4.06Å; Q23-I26 PolarHBondContact O-N 2.88Å
24K93.2Very high94.2Very high194 Ų19469.4 Ų69.484%0.84337%0.368SS*.THydrogen-bonded Turntrans-57.1136.3176.9-172.4179.4179.4-178.60110.8
25G90.5Very high94.2Very high66 Ų6670.7 Ų70.768%0.6837%0.372SS*.THydrogen-bonded Turntrans90.6-11.6-179.500000115.1N20 Q23N20-G25 PolarHBondContact OD1-N 2.85Å; Q23-G25 PolarHBondContact O-N 2.97Å
26I89.1Confident94.3Very high72 Ų7276.8 Ų76.837%0.36940%0.401SS..  trans-89.3132177.1-58.2175.9000110.1P19 N20 F21 P22 Q23P19-I26 CarbonylContact C-O 3.59Å; N20-I26 WeakPolarHBondContact CA-O 3.46Å; N20-I26 PolarHBondContact N-O 3.35Å; F21-I26 PolarHBondContact N-O 3.45Å; F21-I26 VanDerWaalsContact O-CB 3.29Å; F21-I26 WeakPolarHBondContact O-CB 3.37Å; F21-I26 WeakPolarHBondContact O-CG2 3.42Å; P22-I26 HydrophobicContact CG-CD1 4.41Å; Q23-I26 HydrophobicContact CB-CD1 4.06Å; Q23-I26 PolarHBondContact O-N 2.88Å
27L92.3Very high94.4Very high98 Ų9872.9 Ų72.951%0.51339%0.392SS..EExtended strand (participates in β ladder)trans-9692.1169.7-63.8-179.8000109.1V17 P19V17-L27 HydrophobicContact CG1-CB 3.95Å; V17-L27 HydrophobicContact CG1-CD2 4.12Å; V17-L27 HydrophobicContact CG1-CG 4.47Å; P19-L27 HydrophobicContact CB-CD2 4.12Å
28F92.9Very high94.6Very high30 Ų3074.4 Ų74.413%0.13240%0.403CS..EExtended strand (participates in β ladder)trans-71.9132.8-178.7-176-102.5000111.1V17 V18 F21 D30 R72V17-F28 CarbonylContact C-O 3.47Å; V17-F28 WeakPolarHBondContact CA-O 3.35Å; V18-F28 HydrophobicContact CB-CB 4.24Å; V18-F28 HydrophobicContact CB-CD1 4.4Å; V18-F28 PolarHBondContact N-O 3.28Å; V18-F28 WeakPolarHBondContact O-CB 3.18Å; V18-F28 PolarHBondContact O-N 2.8Å; F21-F28 HydrophobicContact CB-CB 4.12Å; F21-F28 HydrophobicContact CD1-CB 3.91Å; F21-F28 AromaticContact CD1-CD1 3.96Å; F21-F28 HydrophobicContact CD1-CD1 3.96Å; F21-F28 AromaticContact CD1-CD2 3.84Å; F21-F28 HydrophobicContact CD1-CD2 3.84Å; F21-F28 HydrophobicContact CD1-CE1 4.47Å; F21-F28 HydrophobicContact CD1-CE2 4.38Å; F21-F28 AromaticContact CD1-CG 3.62Å; F21-F28 HydrophobicContact CD1-CG 3.62Å; F21-F28 HydrophobicContact CE1-CD1 4.43Å; F21-F28 HydrophobicContact CE1-CD2 4.23Å; F21-F28 HydrophobicContact CE1-CE2 4.32Å; F21-F28 HydrophobicContact CE1-CG 4.3Å; F21-F28 HydrophobicContact CE1-CZ 4.47Å; F21-F28 WeakPolarHBondContact O-CB 3.4Å; F28-D30 HydrophobicContact CD1-CB 3.98Å; F28-D30 HydrophobicContact CE1-CB 3.86Å; F28-R72 VanDerWaalsContact CE2-NH1 3.34Å
29R94.1Very high94.7Very high56 Ų5675.5 Ų75.521%0.21141%0.41CS..EExtended strand (participates in β ladder)trans-96.199176.5-55.8-61.1173157.6-0.3109.2I15 M162 I186I15-R29 HydrophobicContact CG2-CB 4.11Å; R29-M162 HydrophobicContact CB-CE 3.93Å; R29-M162 HydrophobicContact CB-SD 3.46Å; R29-M162 WeakPolarHBondContact CB-SD 3.34Å; R29-M162 HydrophobicContact CG-SD 4.05Å; R29-I186 HydrophobicContact CG-CD1 4.36Å
30D95.2Very high94.8Very high15 Ų1572.6 Ų72.68%0.0839%0.39CS..EExtended strand (participates in β ladder)trans-87.6110.1178.917430.7000110.5R16 V18 F28 F32R16-D30 HydrophobicContact CB-CB 4.35Å; R16-D30 IonicContact CZ-OD2 3.41Å; R16-D30 PolarHBondContact N-O 3.26Å; R16-D30 IonicContact NE-OD2 3.26Å; R16-D30 PolarHBondContact NE-OD2 3.36Å; R16-D30 IonicContact NH2-OD2 2.72Å; R16-D30 PolarHBondContact NH2-OD2 3.04Å; R16-D30 PolarHBondContact O-N 2.91Å; V18-D30 HydrophobicContact CG2-CB 4.03Å; F28-D30 HydrophobicContact CD1-CB 3.98Å; F28-D30 HydrophobicContact CE1-CB 3.86Å; D30-F32 VanDerWaalsContact OD1-CB 3.29Å; D30-F32 WeakPolarHBondContact OD1-CB 3.25Å; D30-F32 VanDerWaalsContact OD1-CD2 3.22Å; D30-F32 WeakPolarHBondContact OD1-CD2 3.32Å; D30-F32 PolarHBondContact OD1-N 2.99Å
31F95.7Very high94.9Very high3 Ų369.6 Ų69.61%0.01338%0.375CS..  trans-93.98.8177.679.5-80.6000113.5I15 G33 V34 L35 L44 R72 L75 D133 Y161 M162I15-F31 HydrophobicContact CG1-CB 4.33Å; F31-G33 PolarHBondContact O-N 3.39Å; F31-G33 VanDerWaalsContact O-N 3.14Å; F31-V34 HydrophobicContact CB-CG2 4.28Å; F31-V34 WeakPolarHBondContact O-CA 3.29Å; F31-V34 WeakPolarHBondContact O-CB 3.45Å; F31-V34 PolarHBondContact O-N 2.9Å; F31-L35 HydrophobicContact CD2-CD1 4.18Å; F31-L35 HydrophobicContact CD2-CD2 4.38Å; F31-L35 HydrophobicContact CD2-CG 3.93Å; F31-L35 HydrophobicContact CE2-CD1 3.56Å; F31-L35 HydrophobicContact CE2-CD2 3.9Å; F31-L35 HydrophobicContact CE2-CG 3.67Å; F31-L35 HydrophobicContact CZ-CD1 4.04Å; F31-L35 PolarHBondContact O-N 3.46Å; F31-L44 HydrophobicContact CD2-CD2 4.46Å; F31-R72 HydrophobicContact CE1-CB 3.92Å; F31-R72 HydrophobicContact CE1-CG 3.99Å; F31-R72 HydrophobicContact CZ-CB 4.32Å; F31-L75 HydrophobicContact CE1-CD1 4.24Å; F31-L75 HydrophobicContact CE2-CD1 4.45Å; F31-L75 HydrophobicContact CZ-CB 4.3Å; F31-L75 HydrophobicContact CZ-CD1 3.63Å; F31-D133 HydrophobicContact CD1-CB 4.32Å; F31-D133 HydrophobicContact CE1-CB 3.87Å; F31-D133 HydrophobicContact CZ-CB 4.48Å; F31-Y161 HydrophobicContact CD2-CD2 4.34Å; F31-Y161 HydrophobicContact CD2-CE2 4.26Å; F31-Y161 HydrophobicContact CE1-CE2 4.24Å; F31-Y161 HydrophobicContact CE2-CD2 4.24Å; F31-Y161 AromaticContact CE2-CE2 3.72Å; F31-Y161 HydrophobicContact CE2-CE2 3.72Å; F31-Y161 HydrophobicContact CZ-CD2 4.33Å; F31-Y161 AromaticContact CZ-CE2 3.7Å; F31-Y161 HydrophobicContact CZ-CE2 3.7Å; F31-M162 HydrophobicContact CB-CE 4.41Å
32F96.4Very high95.2Very high104 Ų10468 Ų6846%0.45637%0.369SS..Hα-helixtrans-58.5-28.5177-88.3-117.2000112.6D30 V34 L35 M36 L75D30-F32 VanDerWaalsContact OD1-CB 3.29Å; D30-F32 WeakPolarHBondContact OD1-CB 3.25Å; D30-F32 VanDerWaalsContact OD1-CD2 3.22Å; D30-F32 WeakPolarHBondContact OD1-CD2 3.32Å; D30-F32 PolarHBondContact OD1-N 2.99Å; F32-V34 PolarHBondContact O-N 3.38Å; F32-L35 PolarHBondContact O-N 3.01Å; F32-M36 VanDerWaalsContact O-CG 3.29Å; F32-M36 WeakPolarHBondContact O-CG 3.48Å; F32-M36 PolarHBondContact O-N 3.17Å; F32-L75 HydrophobicContact CE2-CD1 4.29Å; F32-L75 HydrophobicContact CZ-CD1 4.47Å
33G97.2Very high95.6Very high24 Ų2467.6 Ų67.625%0.24736%0.356CS..Hα-helixtrans-58.4-33.6172.500000113.2A14 F31A14-G33 WeakPolarHBondContact O-CA 3.39Å; F31-G33 PolarHBondContact O-N 3.39Å; F31-G33 VanDerWaalsContact O-N 3.14Å
34V98.2Very high96.1Very high0 Ų062.3 Ų62.30%033%0.332CS..Hα-helixtrans-65.8-49.8171.6-177.30000109.6I11 A14 I15 F31 F32 M36 N37 L40 T41 L44I11-V34 HydrophobicContact CG2-CG1 4.11Å; I11-V34 HydrophobicContact CG2-CG2 3.84Å; A14-V34 HydrophobicContact CB-CG2 4.02Å; I15-V34 HydrophobicContact CG1-CG2 4.02Å; F31-V34 HydrophobicContact CB-CG2 4.28Å; F31-V34 WeakPolarHBondContact O-CA 3.29Å; F31-V34 WeakPolarHBondContact O-CB 3.45Å; F31-V34 PolarHBondContact O-N 2.9Å; F32-V34 PolarHBondContact O-N 3.38Å; V34-M36 VanDerWaalsContact C-N 3.29Å; V34-M36 PolarHBondContact O-N 3.27Å; V34-N37 PolarHBondContact O-N 3.44Å; V34-N37 VanDerWaalsContact O-N 3.09Å; V34-L40 HydrophobicContact CG1-CB 3.91Å; V34-T41 PolarHBondContact O-OG1 2.78Å; V34-T41 VanDerWaalsContact O-OG1 3.12Å; V34-L44 HydrophobicContact CG1-CB 4.17Å; V34-L44 HydrophobicContact CG1-CD2 3.95Å
35L97.8Very high96.3Very high45 Ų4553.8 Ų53.824%0.23630%0.295CS..Hα-helixtrans-63.8-31-177-64.3-178.5000113.8F31 F32 N37 T41 L75 L76F31-L35 HydrophobicContact CD2-CD1 4.18Å; F31-L35 HydrophobicContact CD2-CD2 4.38Å; F31-L35 HydrophobicContact CD2-CG 3.93Å; F31-L35 HydrophobicContact CE2-CD1 3.56Å; F31-L35 HydrophobicContact CE2-CD2 3.9Å; F31-L35 HydrophobicContact CE2-CG 3.67Å; F31-L35 HydrophobicContact CZ-CD1 4.04Å; F31-L35 PolarHBondContact O-N 3.46Å; F32-L35 PolarHBondContact O-N 3.01Å; L35-N37 PolarHBondContact O-N 2.9Å; L35-T41 VanDerWaalsContact CA-OG1 3.31Å; L35-T41 WeakPolarHBondContact CA-OG1 3.39Å; L35-T41 HydrophobicContact CD2-CG2 4.24Å; L35-T41 PolarHBondContact O-OG1 2.94Å; L35-L75 HydrophobicContact CD1-CB 4.27Å; L35-L75 HydrophobicContact CD1-CD1 3.82Å; L35-L76 HydrophobicContact CD2-CD2 4.08Å; L35-L76 HydrophobicContact CD2-CG 4.43Å
36M98.1Very high96.7Very high154 Ų15453.1 Ų53.176%0.75928%0.276SS*.THydrogen-bonded Turntrans-73.2-9.3177.1-69.9-58.2-60.400113.6F32 V34F32-M36 VanDerWaalsContact O-CG 3.29Å; F32-M36 WeakPolarHBondContact O-CG 3.48Å; F32-M36 PolarHBondContact O-N 3.17Å; V34-M36 VanDerWaalsContact C-N 3.29Å; V34-M36 PolarHBondContact O-N 3.27Å
37N98.3Very high97.1Very high67 Ų6749.8 Ų49.836%0.35826%0.259SS..SBendtrans-117108175.5-176.2-30.5000109.9V34 L35 V39 L40 T41V34-N37 PolarHBondContact O-N 3.44Å; V34-N37 VanDerWaalsContact O-N 3.09Å; L35-N37 PolarHBondContact O-N 2.9Å; N37-V39 PolarHBondContact O-N 3.41Å; N37-V39 VanDerWaalsContact O-N 3.09Å; N37-V39 WeakPolarHBondContact OD1-CB 3.33Å; N37-V39 PolarHBondContact OD1-N 3.08Å; N37-L40 HydrophobicContact CB-CB 4.07Å; N37-L40 HydrophobicContact CB-CD1 3.93Å; N37-L40 HydrophobicContact CB-CG 3.9Å; N37-L40 PolarHBondContact O-N 3.41Å; N37-L40 PolarHBondContact OD1-N 3.25Å; N37-T41 PolarHBondContact O-N 2.75Å; N37-T41 PolarHBondContact O-OG1 2.85Å
38P98.2Very high97.4Very high103 Ų10345.1 Ų45.167%0.66924%0.235SC*.Hα-helixtrans-54.2-33.7-177.7-28.135.2000114.4Q42P38-Q42 VanDerWaalsContact O-CB 3.29Å; P38-Q42 WeakPolarHBondContact O-CB 3.33Å; P38-Q42 PolarHBondContact O-N 3.42Å
39V98.3Very high97.7Very high76 Ų7648.1 Ų48.146%0.46125%0.246SC..Hα-helixtrans-68.9-42.7177.7178.70000110.8N37 Q42 Y43N37-V39 PolarHBondContact O-N 3.41Å; N37-V39 VanDerWaalsContact O-N 3.09Å; N37-V39 WeakPolarHBondContact OD1-CB 3.33Å; N37-V39 PolarHBondContact OD1-N 3.08Å; V39-Q42 WeakPolarHBondContact O-CB 3.38Å; V39-Q42 PolarHBondContact O-N 2.95Å; V39-Y43 HydrophobicContact CG1-CD1 4.45Å; V39-Y43 HydrophobicContact CG1-CD2 4.26Å; V39-Y43 HydrophobicContact CG1-CE1 3.93Å; V39-Y43 HydrophobicContact CG1-CE2 3.7Å; V39-Y43 WeakPolarHBondContact O-CD1 3.25Å; V39-Y43 VanDerWaalsContact O-CG 3.25Å; V39-Y43 PolarHBondContact O-N 2.96Å
40L98.4Very high97.9Very high19 Ų1951.2 Ų51.210%0.09926%0.258CS..Hα-helixtrans-71.2-37.2178.3-59.4-177000111.9A10 A14 V34 N37 Q42 Y43 L44A10-L40 HydrophobicContact CB-CD2 3.73Å; A14-L40 HydrophobicContact CB-CD1 3.52Å; V34-L40 HydrophobicContact CG1-CB 3.91Å; N37-L40 HydrophobicContact CB-CB 4.07Å; N37-L40 HydrophobicContact CB-CD1 3.93Å; N37-L40 HydrophobicContact CB-CG 3.9Å; N37-L40 PolarHBondContact O-N 3.41Å; N37-L40 PolarHBondContact OD1-N 3.25Å; L40-Q42 VanDerWaalsContact C-N 3.3Å; L40-Q42 PolarHBondContact O-N 3.14Å; L40-Y43 HydrophobicContact CD2-CD2 4.11Å; L40-Y43 PolarHBondContact O-N 3.23Å; L40-L44 WeakPolarHBondContact O-CB 3.36Å; L40-L44 PolarHBondContact O-N 3.32Å
41T98.6Very high98Very high31 Ų3151.2 Ų51.219%0.1926%0.259CS..Hα-helixtrans-57.9-45.1170.2-58.30000111.2V34 L35 N37 L44 L45 L76V34-T41 PolarHBondContact O-OG1 2.78Å; V34-T41 VanDerWaalsContact O-OG1 3.12Å; L35-T41 VanDerWaalsContact CA-OG1 3.31Å; L35-T41 WeakPolarHBondContact CA-OG1 3.39Å; L35-T41 HydrophobicContact CD2-CG2 4.24Å; L35-T41 PolarHBondContact O-OG1 2.94Å; N37-T41 PolarHBondContact O-N 2.75Å; N37-T41 PolarHBondContact O-OG1 2.85Å; T41-L44 PolarHBondContact O-N 3.16Å; T41-L45 WeakPolarHBondContact O-CB 3.48Å; T41-L45 PolarHBondContact O-N 3.34Å; T41-L76 HydrophobicContact CG2-CD2 3.96Å
42Q98.1Very high98.1Very high72 Ų7251.1 Ų51.134%0.33626%0.258SS..Hα-helixtrans-61.4-47.6177.1-17550.369.300110.9P38 V39 L40 L44 L45 D46 R83P38-Q42 VanDerWaalsContact O-CB 3.29Å; P38-Q42 WeakPolarHBondContact O-CB 3.33Å; P38-Q42 PolarHBondContact O-N 3.42Å; V39-Q42 WeakPolarHBondContact O-CB 3.38Å; V39-Q42 PolarHBondContact O-N 2.95Å; L40-Q42 VanDerWaalsContact C-N 3.3Å; L40-Q42 PolarHBondContact O-N 3.14Å; Q42-L44 PolarHBondContact O-N 3.33Å; Q42-L45 PolarHBondContact O-N 3.3Å; Q42-D46 PolarHBondContact NE2-OD1 2.85Å; Q42-D46 PolarHBondContact NE2-OD2 3.21Å; Q42-D46 WeakPolarHBondContact O-CB 3.2Å; Q42-D46 PolarHBondContact O-N 2.95Å; Q42-D46 VanDerWaalsContact O-OD2 3.08Å; Q42-R83 VanDerWaalsContact NE2-CZ 3.28Å; Q42-R83 VanDerWaalsContact OE1-NH2 3.16Å
43Y98.2Very high98.2Very high78 Ų7848.2 Ų48.231%0.30625%0.249SC..Hα-helixtrans-59.3-45.3176.3-67.3-12.4000112.7R7 V39 L40 L45 D46 E47R7-Y43 HydrophobicContact CB-CD2 3.99Å; R7-Y43 HydrophobicContact CB-CE2 4.49Å; R7-Y43 HydrophobicContact CB-CG 4.14Å; R7-Y43 HydrophobicContact CG-CD1 3.95Å; R7-Y43 HydrophobicContact CG-CD2 3.71Å; R7-Y43 HydrophobicContact CG-CE1 4.08Å; R7-Y43 HydrophobicContact CG-CE2 3.85Å; R7-Y43 HydrophobicContact CG-CG 3.76Å; V39-Y43 HydrophobicContact CG1-CD1 4.45Å; V39-Y43 HydrophobicContact CG1-CD2 4.26Å; V39-Y43 HydrophobicContact CG1-CE1 3.93Å; V39-Y43 HydrophobicContact CG1-CE2 3.7Å; V39-Y43 WeakPolarHBondContact O-CD1 3.25Å; V39-Y43 VanDerWaalsContact O-CG 3.25Å; V39-Y43 PolarHBondContact O-N 2.96Å; L40-Y43 HydrophobicContact CD2-CD2 4.11Å; L40-Y43 PolarHBondContact O-N 3.23Å; Y43-L45 PolarHBondContact O-N 2.6Å; Y43-D46 PolarHBondContact O-N 2.86Å; Y43-E47 WeakPolarHBondContact O-CG 3.29Å; Y43-E47 PolarHBondContact O-N 3.06Å
44L98.4Very high98.3Very high2 Ų248.3 Ų48.31%0.0125%0.246CC..Hα-helixtrans-60.9-46.6177.7177.455.7000110.7I11 F31 V34 L40 T41 Q42 D46 E47 L48 L76 Y161 L183I11-L44 HydrophobicContact CD1-CB 4.12Å; F31-L44 HydrophobicContact CD2-CD2 4.46Å; V34-L44 HydrophobicContact CG1-CB 4.17Å; V34-L44 HydrophobicContact CG1-CD2 3.95Å; L40-L44 WeakPolarHBondContact O-CB 3.36Å; L40-L44 PolarHBondContact O-N 3.32Å; T41-L44 PolarHBondContact O-N 3.16Å; Q42-L44 PolarHBondContact O-N 3.33Å; L44-D46 VanDerWaalsContact C-N 3.34Å; L44-D46 PolarHBondContact O-N 2.65Å; L44-E47 PolarHBondContact O-N 3.49Å; L44-L48 HydrophobicContact CD1-CD1 4.2Å; L44-L48 HydrophobicContact CD1-CG 4.19Å; L44-L48 HydrophobicContact CG-CD1 4.13Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.3Å; L44-L48 PolarHBondContact O-N 3.4Å; L44-L76 HydrophobicContact CB-CD1 4.46Å; L44-L76 HydrophobicContact CD2-CD1 3.48Å; L44-L76 VanDerWaalsContact CD2-CD1 3.48Å; L44-L76 HydrophobicContact CG-CD1 3.71Å; L44-Y161 HydrophobicContact CD1-CD1 4.4Å; L44-Y161 HydrophobicContact CD1-CG 4.39Å; L44-Y161 HydrophobicContact CD2-CD2 4.2Å; L44-Y161 HydrophobicContact CD2-CE2 4.34Å; L44-Y161 HydrophobicContact CD2-CG 4.48Å; L44-L183 HydrophobicContact CD1-CD1 3.47Å; L44-L183 VanDerWaalsContact CD1-CD1 3.47Å
45L98.5Very high98.3Very high14 Ų1449.1 Ų49.17%0.07325%0.25CC..Hα-helixtrans-63.8-37.1178.1-174.961.3000112.8T41 Q42 Y43 Y49 A79 L80T41-L45 WeakPolarHBondContact O-CB 3.48Å; T41-L45 PolarHBondContact O-N 3.34Å; Q42-L45 PolarHBondContact O-N 3.3Å; Y43-L45 PolarHBondContact O-N 2.6Å; L45-Y49 VanDerWaalsContact O-CB 3.3Å; L45-Y49 WeakPolarHBondContact O-CB 3.48Å; L45-Y49 PolarHBondContact O-N 3.11Å; L45-A79 HydrophobicContact CD1-CB 4.15Å; L45-A79 HydrophobicContact CD2-CB 3.88Å; L45-L80 HydrophobicContact CD1-CB 3.97Å; L45-L80 HydrophobicContact CD1-CD1 4.38Å
46D98.2Very high98.3Very high53 Ų5347.2 Ų47.228%0.28324%0.241SC..Hα-helixtrans-64.3-43175.3-70.8-31.7000111.8Q42 Y43 L44 Y49 Y50 R83Q42-D46 PolarHBondContact NE2-OD1 2.85Å; Q42-D46 PolarHBondContact NE2-OD2 3.21Å; Q42-D46 WeakPolarHBondContact O-CB 3.2Å; Q42-D46 PolarHBondContact O-N 2.95Å; Q42-D46 VanDerWaalsContact O-OD2 3.08Å; Y43-D46 PolarHBondContact O-N 2.86Å; L44-D46 VanDerWaalsContact C-N 3.34Å; L44-D46 PolarHBondContact O-N 2.65Å; D46-Y49 PolarHBondContact O-N 3.17Å; D46-Y50 VanDerWaalsContact O-CB 3.31Å; D46-Y50 WeakPolarHBondContact O-CB 3.48Å; D46-Y50 PolarHBondContact O-N 3.29Å; D46-R83 IonicContact OD1-CZ 3.44Å; D46-R83 IonicContact OD1-NH1 2.98Å; D46-R83 PolarHBondContact OD1-NH1 3.35Å; D46-R83 IonicContact OD1-NH2 3.67Å
47E98.1Very high98.3Very high2 Ų243.2 Ų43.21%0.00923%0.232CC..Hα-helixtrans-68.1-39.7177.7-67-58.9143.100111.9R4 R7 L8 Y43 L44 Y50 V51 L183R4-E47 IonicContact CZ-OE2 3.58Å; R4-E47 IonicContact NE-OE2 2.86Å; R4-E47 PolarHBondContact NE-OE2 3.1Å; R4-E47 IonicContact NH2-OE2 3.53Å; R7-E47 IonicContact CZ-OE1 3.84Å; R7-E47 VanDerWaalsContact CZ-OE1 3.29Å; R7-E47 IonicContact NE-OE1 3.94Å; R7-E47 PolarHBondContact NE-OE1 3.38Å; R7-E47 IonicContact NH2-OE1 3.02Å; R7-E47 PolarHBondContact NH2-OE1 3.32Å; L8-E47 HydrophobicContact CD2-CB 4.4Å; L8-E47 HydrophobicContact CD2-CG 3.88Å; L8-E47 HydrophobicContact CG-CG 4.49Å; Y43-E47 WeakPolarHBondContact O-CG 3.29Å; Y43-E47 PolarHBondContact O-N 3.06Å; L44-E47 PolarHBondContact O-N 3.49Å; E47-Y50 PolarHBondContact O-N 2.88Å; E47-V51 WeakPolarHBondContact O-CG2 3.38Å; E47-V51 PolarHBondContact O-N 3.2Å; E47-L183 HydrophobicContact CB-CD1 3.96Å; E47-L183 HydrophobicContact CB-CD2 4.16Å
48L98.6Very high98.2Very high0 Ų048.4 Ų48.40%025%0.246CC..Hα-helixtrans-62.6-44.8173.9-66.3170.1000111.7L44 V51 A52 L76 L80 L131 L159 Y161 L183L44-L48 HydrophobicContact CD1-CD1 4.2Å; L44-L48 HydrophobicContact CD1-CG 4.19Å; L44-L48 HydrophobicContact CG-CD1 4.13Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.3Å; L44-L48 PolarHBondContact O-N 3.4Å; L48-V51 PolarHBondContact O-N 2.9Å; L48-A52 VanDerWaalsContact O-CB 3.25Å; L48-A52 WeakPolarHBondContact O-CB 3.31Å; L48-A52 PolarHBondContact O-N 3.47Å; L48-L76 HydrophobicContact CD1-CD1 4.05Å; L48-L80 HydrophobicContact CB-CD1 4.29Å; L48-L80 HydrophobicContact CB-CD2 4.33Å; L48-L131 HydrophobicContact CD2-CD1 4.3Å; L48-L159 HydrophobicContact CB-CD2 4.15Å; L48-L159 HydrophobicContact CD2-CD1 4.19Å; L48-L159 HydrophobicContact CD2-CD2 3.72Å; L48-L159 HydrophobicContact CD2-CG 3.79Å; L48-Y161 HydrophobicContact CD1-CD1 3.93Å; L48-Y161 HydrophobicContact CD1-CE1 3.4Å; L48-Y161 VanDerWaalsContact CD1-CE1 3.4Å; L48-Y161 HydrophobicContact CD2-CD1 3.65Å; L48-Y161 HydrophobicContact CD2-CE1 3.85Å; L48-Y161 HydrophobicContact CG-CD1 4.35Å; L48-Y161 HydrophobicContact CG-CE1 4.25Å; L48-L183 HydrophobicContact CD2-CD1 3.71Å; L48-L183 HydrophobicContact CD2-CG 4.24Å; L48-L183 HydrophobicContact CG-CD1 4.08Å
49Y98.6Very high98.1Very high92 Ų9247 Ų4736%0.36123%0.23SC..Hα-helixtrans-62.4-44.1176.2178-95.8000111.8L45 D46 A52 T53 L80 R83 L84L45-Y49 VanDerWaalsContact O-CB 3.3Å; L45-Y49 WeakPolarHBondContact O-CB 3.48Å; L45-Y49 PolarHBondContact O-N 3.11Å; D46-Y49 PolarHBondContact O-N 3.17Å; Y49-A52 PolarHBondContact O-N 3.36Å; Y49-T53 HydrophobicContact CD1-CG2 4.28Å; Y49-T53 HydrophobicContact CD2-CG2 4.14Å; Y49-T53 HydrophobicContact CE1-CG2 3.85Å; Y49-T53 HydrophobicContact CE2-CG2 3.71Å; Y49-T53 HydrophobicContact CG-CG2 4.41Å; Y49-T53 WeakPolarHBondContact O-CB 3.43Å; Y49-T53 WeakPolarHBondContact O-CG2 3.44Å; Y49-T53 PolarHBondContact O-N 2.86Å; Y49-T53 PolarHBondContact O-OG1 3.11Å; Y49-L80 HydrophobicContact CD2-CD1 4.44Å; Y49-R83 HydrophobicContact CD2-CB 3.81Å; Y49-R83 HydrophobicContact CE2-CB 4.07Å; Y49-R83 WeakPolarHBondContact CE2-O 3.37Å; Y49-L84 HydrophobicContact CD2-CD2 3.76Å; Y49-L84 HydrophobicContact CD2-CG 4.14Å; Y49-L84 HydrophobicContact CE2-CD2 3.7Å; Y49-L84 HydrophobicContact CE2-CG 4.29Å
50Y98Very high98Very high122 Ų12248.8 Ų48.848%0.47825%0.245SC..Hα-helixtrans-59.5-47.6177.4174.2-100.6000111.8D46 E47 T53 S54D46-Y50 VanDerWaalsContact O-CB 3.31Å; D46-Y50 WeakPolarHBondContact O-CB 3.48Å; D46-Y50 PolarHBondContact O-N 3.29Å; E47-Y50 PolarHBondContact O-N 2.88Å; Y50-T53 PolarHBondContact O-OG1 2.81Å; Y50-S54 WeakPolarHBondContact O-CB 3.15Å; Y50-S54 PolarHBondContact O-N 2.67Å; Y50-S54 PolarHBondContact O-OG 3.41Å
51V98.3Very high97.9Very high15 Ų1553.2 Ų53.29%0.09126%0.263CS..Hα-helixtrans-64.2-49.4176.9175.20000110.4E47 L48 T53 S54 E55 L159 Y181 L183E47-V51 WeakPolarHBondContact O-CG2 3.38Å; E47-V51 PolarHBondContact O-N 3.2Å; L48-V51 PolarHBondContact O-N 2.9Å; V51-T53 PolarHBondContact O-N 2.93Å; V51-S54 PolarHBondContact O-N 2.94Å; V51-E55 HydrophobicContact CG1-CG 4.08Å; V51-E55 WeakPolarHBondContact O-CG 3.4Å; V51-E55 PolarHBondContact O-N 2.86Å; V51-L159 HydrophobicContact CB-CD1 4.24Å; V51-L159 HydrophobicContact CB-CD2 4.45Å; V51-L159 HydrophobicContact CG1-CD1 3.76Å; V51-L159 HydrophobicContact CG1-CD2 4.46Å; V51-Y181 HydrophobicContact CG1-CG 4.19Å; V51-L183 HydrophobicContact CG2-CD2 3.84Å
52A98.7Very high97.8Very high0 Ų058.7 Ų58.70%028%0.284CS..Hα-helixtrans-56.5-48.2-178.800000112.4L48 Y49 A56 I63 L84 L129 L159L48-A52 VanDerWaalsContact O-CB 3.25Å; L48-A52 WeakPolarHBondContact O-CB 3.31Å; L48-A52 PolarHBondContact O-N 3.47Å; Y49-A52 PolarHBondContact O-N 3.36Å; A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 2.89Å; A52-I63 HydrophobicContact CB-CD1 3.95Å; A52-L84 HydrophobicContact CB-CD1 4.19Å; A52-L84 HydrophobicContact CB-CD2 4.28Å; A52-L129 HydrophobicContact CB-CD2 3.78Å; A52-L159 HydrophobicContact CB-CD2 4.39Å
53T98.3Very high97.8Very high44 Ų4456 Ų5627%0.2727%0.272SS..Hα-helixtrans-68.8-41.3179.352.20000112.5Y49 Y50 V51 A57 L84Y49-T53 HydrophobicContact CD1-CG2 4.28Å; Y49-T53 HydrophobicContact CD2-CG2 4.14Å; Y49-T53 HydrophobicContact CE1-CG2 3.85Å; Y49-T53 HydrophobicContact CE2-CG2 3.71Å; Y49-T53 HydrophobicContact CG-CG2 4.41Å; Y49-T53 WeakPolarHBondContact O-CB 3.43Å; Y49-T53 WeakPolarHBondContact O-CG2 3.44Å; Y49-T53 PolarHBondContact O-N 2.86Å; Y49-T53 PolarHBondContact O-OG1 3.11Å; Y50-T53 PolarHBondContact O-OG1 2.81Å; V51-T53 PolarHBondContact O-N 2.93Å; T53-A57 VanDerWaalsContact O-CB 3.25Å; T53-A57 WeakPolarHBondContact O-CB 3.44Å; T53-A57 PolarHBondContact O-N 2.85Å; T53-L84 HydrophobicContact CG2-CD2 3.66Å
54S98.1Very high97.8Very high25 Ų2553.6 Ų53.618%0.17526%0.264CS..Hα-helixtrans-63.1-45.7178.9-62.90000112.1Y50 V51 A57 R58Y50-S54 WeakPolarHBondContact O-CB 3.15Å; Y50-S54 PolarHBondContact O-N 2.67Å; Y50-S54 PolarHBondContact O-OG 3.41Å; V51-S54 PolarHBondContact O-N 2.94Å; S54-A57 PolarHBondContact O-N 3.2Å; S54-R58 WeakPolarHBondContact O-CG 3.36Å; S54-R58 PolarHBondContact O-N 3.08Å
55E98.2Very high97.8Very high17 Ų1753.6 Ų53.68%0.07927%0.265CS..Hα-helixtrans-74.3-35.5-178.5-60-51.8140.600112.3V51 R58 K59 F157 Y181V51-E55 HydrophobicContact CG1-CG 4.08Å; V51-E55 WeakPolarHBondContact O-CG 3.4Å; V51-E55 PolarHBondContact O-N 2.86Å; E55-R58 VanDerWaalsContact CD-NH1 3.29Å; E55-R58 PolarHBondContact O-N 2.88Å; E55-R58 IonicContact OE1-CZ 3.38Å; E55-R58 IonicContact OE1-NH1 2.61Å; E55-R58 PolarHBondContact OE1-NH1 2.83Å; E55-R58 IonicContact OE1-NH2 3.93Å; E55-R58 IonicContact OE2-NH1 3.2Å; E55-R58 PolarHBondContact OE2-NH1 2.81Å; E55-K59 WeakPolarHBondContact O-CG 3.47Å; E55-K59 PolarHBondContact O-N 2.97Å; E55-K59 VanDerWaalsContact O-N 3.17Å; E55-F157 HydrophobicContact CB-CD1 4.26Å; E55-F157 HydrophobicContact CB-CE1 3.84Å; E55-F157 HydrophobicContact CB-CE2 4.28Å; E55-F157 HydrophobicContact CB-CZ 3.86Å; E55-Y181 HydrophobicContact CB-CE2 3.96Å; E55-Y181 HydrophobicContact CG-CD1 3.9Å; E55-Y181 HydrophobicContact CG-CD2 4Å; E55-Y181 HydrophobicContact CG-CE1 3.54Å; E55-Y181 HydrophobicContact CG-CE2 3.67Å; E55-Y181 HydrophobicContact CG-CG 4.1Å; E55-Y181 VanDerWaalsContact CG-CZ 3.41Å; E55-Y181 VanDerWaalsContact OE2-CE1 3.25Å; E55-Y181 WeakPolarHBondContact OE2-CE1 3.44Å; E55-Y181 PolarHBondContact OE2-OH 2.72Å
56A97.9Very high97.9Very high6 Ų653 Ų535%0.0526%0.261CS..Hα-helixtrans-61.6-45.1171.500000111.3A52 K59 C60 K61 I63 F157A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 2.89Å; A56-K59 CarbonylContact O-C 3.52Å; A56-K59 PolarHBondContact O-N 2.87Å; A56-C60 PolarHBondContact O-N 2.89Å; A56-C60 VanDerWaalsContact O-N 3.15Å; A56-K61 CarbonylContact C-O 3.57Å; A56-K61 VanDerWaalsContact C-O 3.31Å; A56-K61 WeakPolarHBondContact CB-O 3.45Å; A56-K61 PolarHBondContact O-N 3.3Å; A56-I63 HydrophobicContact CB-CD1 4.13Å; A56-I63 HydrophobicContact CB-CG1 4.07Å; A56-F157 HydrophobicContact CB-CE1 4.41Å
57A97.6Very high97.9Very high69 Ų6950.4 Ų50.457%0.5725%0.248SC*.Hα-helixtrans-62.2-44.2177.100000112.5T53 S54 K59 C60T53-A57 VanDerWaalsContact O-CB 3.25Å; T53-A57 WeakPolarHBondContact O-CB 3.44Å; T53-A57 PolarHBondContact O-N 2.85Å; S54-A57 PolarHBondContact O-N 3.2Å; A57-K59 PolarHBondContact O-N 3.1Å; A57-C60 PolarHBondContact O-N 3.46Å
58R97.4Very high97.9Very high176 Ų17650.3 Ų50.366%0.66425%0.247SC*.Hα-helixtrans-59.8-30.9175.2-75.8178.6-171.61599.2113.2S54 E55 C60S54-R58 WeakPolarHBondContact O-CG 3.36Å; S54-R58 PolarHBondContact O-N 3.08Å; E55-R58 VanDerWaalsContact CD-NH1 3.29Å; E55-R58 PolarHBondContact O-N 2.88Å; E55-R58 IonicContact OE1-CZ 3.38Å; E55-R58 IonicContact OE1-NH1 2.61Å; E55-R58 PolarHBondContact OE1-NH1 2.83Å; E55-R58 IonicContact OE1-NH2 3.93Å; E55-R58 IonicContact OE2-NH1 3.2Å; E55-R58 PolarHBondContact OE2-NH1 2.81Å; R58-C60 VanDerWaalsContact C-N 3.32Å
59K95.8Very high97.8Very high73 Ų7350.6 Ų50.632%0.31725%0.249SC..THydrogen-bonded Turntrans-85.6-3.6175.8-66.6177-171.3-60.20113E55 A56 A57 K61 F157E55-K59 WeakPolarHBondContact O-CG 3.47Å; E55-K59 PolarHBondContact O-N 2.97Å; E55-K59 VanDerWaalsContact O-N 3.17Å; A56-K59 CarbonylContact O-C 3.52Å; A56-K59 PolarHBondContact O-N 2.87Å; A57-K59 PolarHBondContact O-N 3.1Å; K59-K61 HydrophobicContact CB-CB 4.46Å; K59-K61 HydrophobicContact CB-CG 4.25Å; K59-K61 WeakPolarHBondContact O-CG 3.37Å; K59-K61 PolarHBondContact O-N 3.41Å; K59-F157 HydrophobicContact CD-CD1 4.15Å
60C95.6Very high97.7Very high115 Ų11548.7 Ų48.778%0.77724%0.243SC*.THydrogen-bonded Turntrans52.442.1-170.7-550000112.3A56 A57 R58A56-C60 PolarHBondContact O-N 2.89Å; A56-C60 VanDerWaalsContact O-N 3.15Å; A57-C60 PolarHBondContact O-N 3.46Å; R58-C60 VanDerWaalsContact C-N 3.32Å
61K96Very high97.4Very high112 Ų11246.4 Ų46.449%0.48725%0.245SC..  trans-127.7154.3178.6-63.2-65.6177.8-179.60110.1A56 K59 L156A56-K61 CarbonylContact C-O 3.57Å; A56-K61 VanDerWaalsContact C-O 3.31Å; A56-K61 WeakPolarHBondContact CB-O 3.45Å; A56-K61 PolarHBondContact O-N 3.3Å; K59-K61 HydrophobicContact CB-CB 4.46Å; K59-K61 HydrophobicContact CB-CG 4.25Å; K59-K61 WeakPolarHBondContact O-CG 3.37Å; K59-K61 PolarHBondContact O-N 3.41Å; K61-L156 HydrophobicContact CB-CD1 3.75Å; K61-L156 HydrophobicContact CB-CD2 4.09Å; K61-L156 HydrophobicContact CG-CD2 3.93Å
62K96.7Very high97.3Very high146 Ų14649.6 Ų49.664%0.63526%0.255SS*.  trans-95158.3163.259.1169.6175.5135.50109.2D64 N127K62-D64 WeakPolarHBondContact CD-OD1 3.48Å; K62-D64 WeakPolarHBondContact CE-OD1 3.39Å; K62-D64 IonicContact NZ-OD1 2.68Å; K62-D64 PolarHBondContact NZ-OD1 2.97Å; K62-N127 WeakPolarHBondContact O-CB 3.4Å
63I98.7Very high97.1Very high15 Ų1549.6 Ų49.68%0.07726%0.255CS..  trans-92.2123.9169.1-62.6161.2000106.8A52 A56 V66 L84 C86 L129 L156 F157A52-I63 HydrophobicContact CB-CD1 3.95Å; A56-I63 HydrophobicContact CB-CD1 4.13Å; A56-I63 HydrophobicContact CB-CG1 4.07Å; I63-V66 HydrophobicContact CG2-CG2 4.37Å; I63-L84 HydrophobicContact CD1-CD1 3.89Å; I63-L84 HydrophobicContact CD1-CD2 4.36Å; I63-L84 HydrophobicContact CG2-CD1 4.46Å; I63-C86 WeakPolarHBondContact O-CB 3.35Å; I63-L129 HydrophobicContact CD1-CB 4.23Å; I63-L129 HydrophobicContact CD1-CD2 3.92Å; I63-L129 HydrophobicContact CG1-CB 4.39Å; I63-L129 HydrophobicContact CG2-CB 3.75Å; I63-L156 HydrophobicContact CG1-CD1 4.39Å; I63-F157 HydrophobicContact CD1-CZ 4.05Å
64D98.7Very high97.1Very high27 Ų2749.8 Ų49.814%0.14425%0.253CS..  trans-95.3-32.8-179.8-62.3-61.6000111.4K62 C86 A87 D126 N127K62-D64 WeakPolarHBondContact CD-OD1 3.48Å; K62-D64 WeakPolarHBondContact CE-OD1 3.39Å; K62-D64 IonicContact NZ-OD1 2.68Å; K62-D64 PolarHBondContact NZ-OD1 2.97Å; D64-C86 WeakPolarHBondContact O-CB 3.37Å; D64-A87 PolarHBondContact O-N 3.3Å; D64-D126 HydrophobicContact CB-CB 4.14Å; D64-N127 PolarHBondContact N-O 3.41Å; D64-N127 VanDerWaalsContact OD2-CB 3.3Å; D64-N127 WeakPolarHBondContact OD2-CB 3.49Å; D64-N127 PolarHBondContact OD2-N 2.99Å; D64-N127 PolarHBondContact OD2-ND2 2.87Å
65V98.8Very high97.1Very high3 Ų352.3 Ų52.32%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-142.6132179.8-167.80000110.4V67 A87 V89 I122 D126 N127 I128 L129V65-V67 HydrophobicContact CG1-CG2 4.15Å; V65-A87 WeakPolarHBondContact CA-O 3.45Å; V65-A87 HydrophobicContact CG1-CB 4.19Å; V65-A87 HydrophobicContact CG2-CB 4.22Å; V65-V89 HydrophobicContact CG1-CB 3.99Å; V65-V89 HydrophobicContact CG1-CG2 3.68Å; V65-I122 HydrophobicContact CG1-CG1 4.44Å; V65-D126 HydrophobicContact CG2-CB 4.27Å; V65-N127 PolarHBondContact N-O 3.05Å; V65-I128 HydrophobicContact CB-CD1 3.61Å; V65-I128 HydrophobicContact CG1-CD1 4.49Å; V65-I128 HydrophobicContact CG2-CD1 3.81Å; V65-I128 WeakPolarHBondContact O-CA 3.45Å; V65-L129 PolarHBondContact O-N 2.97Å
66V98.8Very high97Very high0 Ų051.8 Ų51.80%026%0.261CS..EExtended strand (participates in β ladder)trans-89.1120.5160.8175.30000108.1I63 A81 L84 A87 F88 V89 L129 L131I63-V66 HydrophobicContact CG2-CG2 4.37Å; V66-A81 HydrophobicContact CB-CB 3.99Å; V66-A81 HydrophobicContact CG2-CB 4.04Å; V66-L84 HydrophobicContact CG2-CD1 3.87Å; V66-A87 PolarHBondContact N-O 3.43Å; V66-F88 HydrophobicContact CB-CD2 4.3Å; V66-F88 HydrophobicContact CG1-CD2 4.12Å; V66-F88 HydrophobicContact CG1-CE2 4.43Å; V66-F88 WeakPolarHBondContact O-CA 3.24Å; V66-F88 WeakPolarHBondContact O-CD2 3.38Å; V66-V89 PolarHBondContact O-N 3.31Å; V66-L129 CarbonylContact C-O 3.36Å; V66-L129 WeakPolarHBondContact CA-O 3.34Å; V66-L129 HydrophobicContact CG2-CB 4.36Å; V66-L129 HydrophobicContact CG2-CD2 4.2Å; V66-L131 HydrophobicContact CG1-CB 4.08Å; V66-L131 HydrophobicContact CG1-CD2 4.47Å
67V98.7Very high97.1Very high0 Ų051.5 Ų51.50%026%0.259CS..EExtended strand (participates in β ladder)trans-100110.2172.3170.90000108.6V65 V89 I91 I122 I128 L129 L130 L131V65-V67 HydrophobicContact CG1-CG2 4.15Å; V67-V89 VanDerWaalsContact CA-O 3.24Å; V67-V89 WeakPolarHBondContact CA-O 3.32Å; V67-V89 HydrophobicContact CG2-CB 4.19Å; V67-I91 HydrophobicContact CG1-CB 4.41Å; V67-I91 HydrophobicContact CG1-CD1 3.49Å; V67-I91 VanDerWaalsContact CG1-CD1 3.49Å; V67-I91 HydrophobicContact CG1-CG1 3.66Å; V67-I122 HydrophobicContact CG2-CD1 3.73Å; V67-I128 HydrophobicContact CB-CG2 3.88Å; V67-I128 HydrophobicContact CG2-CG2 3.46Å; V67-I128 VanDerWaalsContact CG2-CG2 3.46Å; V67-L129 PolarHBondContact N-O 3.09Å; V67-L130 HydrophobicContact CB-CD2 3.77Å; V67-L130 HydrophobicContact CG1-CD2 3.79Å; V67-L130 WeakPolarHBondContact O-CA 3.35Å; V67-L131 PolarHBondContact O-N 2.91Å
68G98.3Very high97.1Very high0 Ų051.1 Ų51.10%025%0.251CS..EExtended strand (participates in β ladder)trans-83.9144.3173.900000110.9F74 V89 I91 L131G68-F74 VanDerWaalsContact O-CE1 3.3Å; G68-F74 WeakPolarHBondContact O-CE1 3.4Å; G68-V89 PolarHBondContact N-O 2.86Å; G68-V89 VanDerWaalsContact N-O 3.09Å; G68-I91 PolarHBondContact O-N 3.48Å; G68-L131 WeakPolarHBondContact CA-O 3.31Å
69L97.7Very high97.2Very high6 Ų644.5 Ų44.53%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-94.4140.9171.2-81.171.1000111.1G73 F74 L131 D132 L141 C144L69-G73 WeakPolarHBondContact O-CA 3.24Å; L69-G73 PolarHBondContact O-N 3.27Å; L69-G73 VanDerWaalsContact O-N 3.17Å; L69-F74 WeakPolarHBondContact O-CD1 3.44Å; L69-L131 PolarHBondContact N-O 2.9Å; L69-D132 HydrophobicContact CB-CB 4Å; L69-D132 HydrophobicContact CD2-CB 4.24Å; L69-D132 HydrophobicContact CG-CB 4.47Å; L69-L141 HydrophobicContact CD1-CD2 3.98Å; L69-L141 HydrophobicContact CD2-CD2 3.79Å; L69-L141 HydrophobicContact CD2-CG 3.99Å; L69-C144 HydrophobicContact CD1-CB 4.26Å; L69-C144 VanDerWaalsContact CD2-SG 3.55Å; L69-C144 HydrophobicContact CG-CB 4.49Å; L69-C144 WeakPolarHBondContact CG-SG 3.45Å
70E94.8Very high97.3Very high52 Ų5241 Ų4124%0.24322%0.219CC..THydrogen-bonded Turntrans-67.8134.1176.4-175.7166.9-134.600111.4F74 I91 R92 K93E70-F74 VanDerWaalsContact CA-CZ 3.44Å; E70-F74 HydrophobicContact CB-CE1 4.28Å; E70-F74 HydrophobicContact CB-CE2 3.72Å; E70-F74 HydrophobicContact CB-CZ 3.51Å; E70-F74 HydrophobicContact CG-CE2 3.85Å; E70-F74 HydrophobicContact CG-CZ 4.18Å; E70-I91 WeakPolarHBondContact CB-O 3.41Å; E70-I91 PolarHBondContact N-O 2.97Å; E70-R92 IonicContact OE1-CZ 2.67Å; E70-R92 IonicContact OE1-NE 3.41Å; E70-R92 PolarHBondContact OE1-NE 3.15Å; E70-R92 VanDerWaalsContact OE1-NE 3.15Å; E70-R92 IonicContact OE1-NH2 3.67Å; E70-R92 PolarHBondContact OE1-NH2 3.24Å; E70-R92 WeakPolarHBondContact OE2-CA 3.42Å; E70-K93 WeakPolarHBondContact OE2-CB 3.4Å; E70-K93 PolarHBondContact OE2-N 3.37Å
71S92.9Very high97.5Very high73 Ų7335.7 Ų35.751%0.5118%0.183SC..THydrogen-bonded Turncis-106.2-19.2-2.4-520000113.4F74S71-F74 WeakPolarHBondContact O-CB 3.35Å; S71-F74 PolarHBondContact O-N 3Å
72R94.9Very high97.6Very high82 Ų8237.1 Ų37.131%0.30920%0.195SC..THydrogen-bonded Turntrans-89.3-26.7-165.2-71.8173.1-56.4-110.3-2.9112.7F28 F31 F74 L75 D133F28-R72 VanDerWaalsContact CE2-NH1 3.34Å; F31-R72 HydrophobicContact CE1-CB 3.92Å; F31-R72 HydrophobicContact CE1-CG 3.99Å; F31-R72 HydrophobicContact CZ-CB 4.32Å; R72-F74 PolarHBondContact O-N 2.88Å; R72-L75 HydrophobicContact CB-CD1 4.4Å; R72-L75 HydrophobicContact CG-CD1 4.18Å; R72-L75 WeakPolarHBondContact O-CB 3.48Å; R72-L75 PolarHBondContact O-N 3.21Å; R72-L75 VanDerWaalsContact O-N 3.09Å; R72-D133 HydrophobicContact CB-CB 3.74Å; R72-D133 VanDerWaalsContact CB-CG 3.44Å; R72-D133 WeakPolarHBondContact CB-OD1 3.42Å; R72-D133 WeakPolarHBondContact CD-OD2 3.42Å; R72-D133 IonicContact CZ-OD1 3.97Å; R72-D133 IonicContact CZ-OD2 3.02Å; R72-D133 IonicContact NE-OD1 3.56Å; R72-D133 PolarHBondContact NE-OD1 3.47Å; R72-D133 IonicContact NE-OD2 3.15Å; R72-D133 PolarHBondContact NE-OD2 3.31Å; R72-D133 IonicContact NH2-OD1 2.72Å; R72-D133 PolarHBondContact NH2-OD1 3.47Å; R72-D133 IonicContact NH2-OD2 3.65Å
73G96Very high97.7Very high0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-56.9-23.416300000113.5L69 L75 G77 D132L69-G73 WeakPolarHBondContact O-CA 3.24Å; L69-G73 PolarHBondContact O-N 3.27Å; L69-G73 VanDerWaalsContact O-N 3.17Å; G73-L75 VanDerWaalsContact C-N 3.34Å; G73-G77 VanDerWaalsContact O-CA 3.32Å; G73-G77 WeakPolarHBondContact O-CA 3.44Å; G73-G77 PolarHBondContact O-N 3.23Å; G73-D132 PolarHBondContact N-OD1 3.02Å
74F97Very high97.7Very high49 Ų4935.3 Ų35.322%0.21519%0.185CC..Hα-helixtrans-76.5-20.6177.3-57.4-10.5000113.6G68 L69 E70 S71 R72 L76 P78 F88 P90 I91 R92G68-F74 VanDerWaalsContact O-CE1 3.3Å; G68-F74 WeakPolarHBondContact O-CE1 3.4Å; L69-F74 WeakPolarHBondContact O-CD1 3.44Å; E70-F74 VanDerWaalsContact CA-CZ 3.44Å; E70-F74 HydrophobicContact CB-CE1 4.28Å; E70-F74 HydrophobicContact CB-CE2 3.72Å; E70-F74 HydrophobicContact CB-CZ 3.51Å; E70-F74 HydrophobicContact CG-CE2 3.85Å; E70-F74 HydrophobicContact CG-CZ 4.18Å; S71-F74 WeakPolarHBondContact O-CB 3.35Å; S71-F74 PolarHBondContact O-N 3Å; R72-F74 PolarHBondContact O-N 2.88Å; F74-L76 VanDerWaalsContact C-N 3.35Å; F74-L76 PolarHBondContact O-N 3.25Å; F74-P78 WeakPolarHBondContact O-CD 3.31Å; F74-F88 AromaticContact CD1-CZ 3.98Å; F74-F88 HydrophobicContact CD1-CZ 3.98Å; F74-P90 HydrophobicContact CD1-CB 4.43Å; F74-P90 HydrophobicContact CE1-CB 3.66Å; F74-P90 HydrophobicContact CE2-CB 4.32Å; F74-P90 HydrophobicContact CZ-CB 3.59Å; F74-I91 WeakPolarHBondContact CZ-O 3.46Å; F74-R92 HydrophobicContact CE2-CG 3.99Å; F74-R92 HydrophobicContact CZ-CG 3.69Å
75L97.7Very high97.7Very high78 Ų7841.3 Ų41.341%0.40822%0.217SC..Hα-helixtrans-71-32.5-172-64.4174.1000112F31 F32 L35 R72 G73F31-L75 HydrophobicContact CE1-CD1 4.24Å; F31-L75 HydrophobicContact CE2-CD1 4.45Å; F31-L75 HydrophobicContact CZ-CB 4.3Å; F31-L75 HydrophobicContact CZ-CD1 3.63Å; F32-L75 HydrophobicContact CE2-CD1 4.29Å; F32-L75 HydrophobicContact CZ-CD1 4.47Å; L35-L75 HydrophobicContact CD1-CB 4.27Å; L35-L75 HydrophobicContact CD1-CD1 3.82Å; R72-L75 HydrophobicContact CB-CD1 4.4Å; R72-L75 HydrophobicContact CG-CD1 4.18Å; R72-L75 WeakPolarHBondContact O-CB 3.48Å; R72-L75 PolarHBondContact O-N 3.21Å; R72-L75 VanDerWaalsContact O-N 3.09Å; G73-L75 VanDerWaalsContact C-N 3.34Å
76L98.2Very high97.6Very high6 Ų642.3 Ų42.33%0.03122%0.224CC..Hα-helixtrans-122.5-7.8174.4-57.2176.4000113.9L35 T41 L44 L48 F74 A79 L80 Y161L35-L76 HydrophobicContact CD2-CD2 4.08Å; L35-L76 HydrophobicContact CD2-CG 4.43Å; T41-L76 HydrophobicContact CG2-CD2 3.96Å; L44-L76 HydrophobicContact CB-CD1 4.46Å; L44-L76 HydrophobicContact CD2-CD1 3.48Å; L44-L76 VanDerWaalsContact CD2-CD1 3.48Å; L44-L76 HydrophobicContact CG-CD1 3.71Å; L48-L76 HydrophobicContact CD1-CD1 4.05Å; F74-L76 VanDerWaalsContact C-N 3.35Å; F74-L76 PolarHBondContact O-N 3.25Å; L76-A79 PolarHBondContact O-N 3.05Å; L76-L80 WeakPolarHBondContact O-CB 3.48Å; L76-L80 PolarHBondContact O-N 3.3Å; L76-Y161 WeakPolarHBondContact CB-OH 3.09Å; L76-Y161 HydrophobicContact CD1-CE2 4.36Å
77G98.5Very high97.6Very high0 Ų044.7 Ų44.70%024%0.244CC..Hα-helixtrans-53.9-52.1178.400000114.4G73 A79 L80 A81 L131G73-G77 VanDerWaalsContact O-CA 3.32Å; G73-G77 WeakPolarHBondContact O-CA 3.44Å; G73-G77 PolarHBondContact O-N 3.23Å; G77-A79 VanDerWaalsContact C-N 3.33Å; G77-A79 PolarHBondContact O-N 2.97Å; G77-L80 PolarHBondContact O-N 3.21Å; G77-A81 WeakPolarHBondContact O-CB 3.46Å; G77-A81 PolarHBondContact O-N 3.39Å; G77-L131 VanDerWaalsContact CA-CD2 3.46Å
78P98.5Very high97.6Very high61 Ų6147.5 Ų47.540%0.39626%0.256SS..Hα-helixtrans-61.5-38.8176.6-25.335.2000113.2F74 A81 L82 F88F74-P78 WeakPolarHBondContact O-CD 3.31Å; P78-A81 PolarHBondContact O-N 3.32Å; P78-L82 WeakPolarHBondContact O-CB 3.46Å; P78-L82 PolarHBondContact O-N 2.96Å; P78-F88 HydrophobicContact CG-CD1 4.02Å; P78-F88 HydrophobicContact CG-CD2 4.36Å; P78-F88 HydrophobicContact CG-CE1 3.91Å; P78-F88 HydrophobicContact CG-CE2 4.27Å; P78-F88 HydrophobicContact CG-CG 4.24Å; P78-F88 HydrophobicContact CG-CZ 4.04Å
79A98.5Very high97.6Very high37 Ų3747.8 Ų47.831%0.30626%0.258SS..Hα-helixtrans-67.4-38.9178.500000111.7L45 L76 G77 R83L45-A79 HydrophobicContact CD1-CB 4.15Å; L45-A79 HydrophobicContact CD2-CB 3.88Å; L76-A79 PolarHBondContact O-N 3.05Å; G77-A79 VanDerWaalsContact C-N 3.33Å; G77-A79 PolarHBondContact O-N 2.97Å; A79-R83 WeakPolarHBondContact O-CG 3.29Å; A79-R83 PolarHBondContact O-N 3.44Å; A79-R83 VanDerWaalsContact O-N 3.14Å
80L98.8Very high97.6Very high0 Ų049.2 Ų49.20%027%0.268CS..Hα-helixtrans-67.3-45.8174.8-178.761.1000111.3L45 L48 Y49 L76 G77 L82 R83 L84 L129 L131L45-L80 HydrophobicContact CD1-CB 3.97Å; L45-L80 HydrophobicContact CD1-CD1 4.38Å; L48-L80 HydrophobicContact CB-CD1 4.29Å; L48-L80 HydrophobicContact CB-CD2 4.33Å; Y49-L80 HydrophobicContact CD2-CD1 4.44Å; L76-L80 WeakPolarHBondContact O-CB 3.48Å; L76-L80 PolarHBondContact O-N 3.3Å; G77-L80 PolarHBondContact O-N 3.21Å; L80-L82 VanDerWaalsContact C-N 3.32Å; L80-L82 PolarHBondContact O-N 3.2Å; L80-R83 PolarHBondContact O-N 3.45Å; L80-R83 VanDerWaalsContact O-N 3.17Å; L80-L84 HydrophobicContact CD1-CD1 3.99Å; L80-L84 HydrophobicContact CD1-CG 4.19Å; L80-L84 HydrophobicContact CD2-CD1 4.47Å; L80-L84 HydrophobicContact CG-CD1 3.83Å; L80-L84 HydrophobicContact CG-CG 4.42Å; L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 WeakPolarHBondContact O-CG 3.5Å; L80-L84 PolarHBondContact O-N 2.88Å; L80-L129 HydrophobicContact CD2-CD2 3.96Å; L80-L131 HydrophobicContact CD2-CD1 3.95Å; L80-L131 HydrophobicContact CD2-CD2 4Å
81A98.8Very high97.8Very high3 Ų346.9 Ų46.93%0.02526%0.257CS..Hα-helixtrans-58.1-44.2176.900000111.9V66 G77 P78 R83 L84 N85 C86 F88V66-A81 HydrophobicContact CB-CB 3.99Å; V66-A81 HydrophobicContact CG2-CB 4.04Å; G77-A81 WeakPolarHBondContact O-CB 3.46Å; G77-A81 PolarHBondContact O-N 3.39Å; P78-A81 PolarHBondContact O-N 3.32Å; A81-R83 VanDerWaalsContact C-N 3.35Å; A81-R83 PolarHBondContact O-N 2.92Å; A81-L84 CarbonylContact O-C 3.6Å; A81-L84 PolarHBondContact O-N 3.48Å; A81-N85 PolarHBondContact O-N 3.35Å; A81-C86 PolarHBondContact O-N 3.32Å; A81-F88 HydrophobicContact CB-CB 3.79Å; A81-F88 HydrophobicContact CB-CD2 4.47Å
82L98.7Very high98Very high142 Ų14247.1 Ų47.174%0.74325%0.246SC*.Hα-helixtrans-59.5-44.2175.7-178.864.3000111.7P78 L80 N85P78-L82 WeakPolarHBondContact O-CB 3.46Å; P78-L82 PolarHBondContact O-N 2.96Å; L80-L82 VanDerWaalsContact C-N 3.32Å; L80-L82 PolarHBondContact O-N 3.2Å; L82-N85 PolarHBondContact O-N 3.3Å; L82-N85 VanDerWaalsContact O-N 3.15Å
83R98.3Very high98Very high91 Ų9148.3 Ų48.334%0.34325%0.254SS..Hα-helixtrans-68.1-34.1177.5-77.2-172.7164.9-165.9-11.6113.7Q42 D46 Y49 A79 L80 A81 N85Q42-R83 VanDerWaalsContact NE2-CZ 3.28Å; Q42-R83 VanDerWaalsContact OE1-NH2 3.16Å; D46-R83 IonicContact OD1-CZ 3.44Å; D46-R83 IonicContact OD1-NH1 2.98Å; D46-R83 PolarHBondContact OD1-NH1 3.35Å; D46-R83 IonicContact OD1-NH2 3.67Å; Y49-R83 HydrophobicContact CD2-CB 3.81Å; Y49-R83 HydrophobicContact CE2-CB 4.07Å; Y49-R83 WeakPolarHBondContact CE2-O 3.37Å; A79-R83 WeakPolarHBondContact O-CG 3.29Å; A79-R83 PolarHBondContact O-N 3.44Å; A79-R83 VanDerWaalsContact O-N 3.14Å; L80-R83 PolarHBondContact O-N 3.45Å; L80-R83 VanDerWaalsContact O-N 3.17Å; A81-R83 VanDerWaalsContact C-N 3.35Å; A81-R83 PolarHBondContact O-N 2.92Å; R83-N85 PolarHBondContact O-N 3.21Å
84L98.6Very high98Very high31 Ų3150.7 Ų50.716%0.16227%0.273CS..Hα-helixtrans-77.7-6.8173.8-68.3171.2000112.6Y49 A52 T53 I63 V66 L80 A81 C86 L129Y49-L84 HydrophobicContact CD2-CD2 3.76Å; Y49-L84 HydrophobicContact CD2-CG 4.14Å; Y49-L84 HydrophobicContact CE2-CD2 3.7Å; Y49-L84 HydrophobicContact CE2-CG 4.29Å; A52-L84 HydrophobicContact CB-CD1 4.19Å; A52-L84 HydrophobicContact CB-CD2 4.28Å; T53-L84 HydrophobicContact CG2-CD2 3.66Å; I63-L84 HydrophobicContact CD1-CD1 3.89Å; I63-L84 HydrophobicContact CD1-CD2 4.36Å; I63-L84 HydrophobicContact CG2-CD1 4.46Å; V66-L84 HydrophobicContact CG2-CD1 3.87Å; L80-L84 HydrophobicContact CD1-CD1 3.99Å; L80-L84 HydrophobicContact CD1-CG 4.19Å; L80-L84 HydrophobicContact CD2-CD1 4.47Å; L80-L84 HydrophobicContact CG-CD1 3.83Å; L80-L84 HydrophobicContact CG-CG 4.42Å; L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 WeakPolarHBondContact O-CG 3.5Å; L80-L84 PolarHBondContact O-N 2.88Å; A81-L84 CarbonylContact O-C 3.6Å; A81-L84 PolarHBondContact O-N 3.48Å; L84-C86 VanDerWaalsContact C-N 3.32Å; L84-C86 HydrophobicContact CB-CB 4.45Å; L84-C86 PolarHBondContact O-N 3.25Å; L84-L129 HydrophobicContact CD1-CD2 4.19Å
85N98.3Very high97.9Very high153 Ų15351.5 Ų51.582%0.81830%0.296SS*.THydrogen-bonded Turntrans53.348.1-174.1-171.145.9000112.3A81 L82 R83A81-N85 PolarHBondContact O-N 3.35Å; L82-N85 PolarHBondContact O-N 3.3Å; L82-N85 VanDerWaalsContact O-N 3.15Å; R83-N85 PolarHBondContact O-N 3.21Å
86C98.5Very high97.8Very high25 Ų2553.8 Ų53.817%0.16930%0.302CS..  trans-133.1171.3-178780000111.3I63 D64 A81 L84I63-C86 WeakPolarHBondContact O-CB 3.35Å; D64-C86 WeakPolarHBondContact O-CB 3.37Å; A81-C86 PolarHBondContact O-N 3.32Å; L84-C86 VanDerWaalsContact C-N 3.32Å; L84-C86 HydrophobicContact CB-CB 4.45Å; L84-C86 PolarHBondContact O-N 3.25Å
87A98.4Very high97.7Very high50 Ų5054.8 Ų54.841%0.41331%0.308SS..EExtended strand (participates in β ladder)trans-71.9160.5178.300000111.7D64 V65 V66D64-A87 PolarHBondContact O-N 3.3Å; V65-A87 WeakPolarHBondContact CA-O 3.45Å; V65-A87 HydrophobicContact CG1-CB 4.19Å; V65-A87 HydrophobicContact CG2-CB 4.22Å; V66-A87 PolarHBondContact N-O 3.43Å
88F98.6Very high97.5Very high59 Ų5960.2 Ų60.226%0.25934%0.343SS..EExtended strand (participates in β ladder)trans-122.2131.4169.4176.5-98.7000109.9V66 F74 P78 A81 P90V66-F88 HydrophobicContact CB-CD2 4.3Å; V66-F88 HydrophobicContact CG1-CD2 4.12Å; V66-F88 HydrophobicContact CG1-CE2 4.43Å; V66-F88 WeakPolarHBondContact O-CA 3.24Å; V66-F88 WeakPolarHBondContact O-CD2 3.38Å; F74-F88 AromaticContact CD1-CZ 3.98Å; F74-F88 HydrophobicContact CD1-CZ 3.98Å; P78-F88 HydrophobicContact CG-CD1 4.02Å; P78-F88 HydrophobicContact CG-CD2 4.36Å; P78-F88 HydrophobicContact CG-CE1 3.91Å; P78-F88 HydrophobicContact CG-CE2 4.27Å; P78-F88 HydrophobicContact CG-CG 4.24Å; P78-F88 HydrophobicContact CG-CZ 4.04Å; A81-F88 HydrophobicContact CB-CB 3.79Å; A81-F88 HydrophobicContact CB-CD2 4.47Å; F88-P90 HydrophobicContact CE1-CB 4.15Å
89V98.2Very high97.3Very high6 Ų660.2 Ų60.24%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-127.4125.6175.8171.50000109.6V65 V66 V67 G68 M117 V121 I122V65-V89 HydrophobicContact CG1-CB 3.99Å; V65-V89 HydrophobicContact CG1-CG2 3.68Å; V66-V89 PolarHBondContact O-N 3.31Å; V67-V89 VanDerWaalsContact CA-O 3.24Å; V67-V89 WeakPolarHBondContact CA-O 3.32Å; V67-V89 HydrophobicContact CG2-CB 4.19Å; G68-V89 PolarHBondContact N-O 2.86Å; G68-V89 VanDerWaalsContact N-O 3.09Å; V89-M117 HydrophobicContact CG1-CG 4.27Å; V89-V121 HydrophobicContact CB-CG2 4.4Å; V89-V121 HydrophobicContact CG1-CG2 3.65Å; V89-V121 HydrophobicContact CG2-CB 4.08Å; V89-V121 HydrophobicContact CG2-CG2 3.79Å; V89-I122 HydrophobicContact CB-CD1 4.38Å; V89-I122 HydrophobicContact CB-CG1 4.41Å; V89-I122 HydrophobicContact CG1-CD1 4.23Å; V89-I122 HydrophobicContact CG1-CG1 4.39Å; V89-I122 HydrophobicContact CG2-CD1 4.46Å; V89-I122 HydrophobicContact CG2-CG1 3.96Å
90P97.4Very high97.2Very high36 Ų3662.9 Ų62.923%0.23437%0.368CS..EExtended strand (participates in β ladder)trans-83.7134.5173.532.2-32.3000111.1F74 F88 R92 L97F74-P90 HydrophobicContact CD1-CB 4.43Å; F74-P90 HydrophobicContact CE1-CB 3.66Å; F74-P90 HydrophobicContact CE2-CB 4.32Å; F74-P90 HydrophobicContact CZ-CB 3.59Å; F88-P90 HydrophobicContact CE1-CB 4.15Å; P90-R92 HydrophobicContact CB-CG 4.24Å; P90-L97 HydrophobicContact CG-CD2 4.24Å
91I98.2Very high97.2Very high2 Ų264.1 Ų64.11%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-98.6124.5158.8-70178.9000108.2V67 G68 E70 F74 V115 D116 M117 C144 L147V67-I91 HydrophobicContact CG1-CB 4.41Å; V67-I91 HydrophobicContact CG1-CD1 3.49Å; V67-I91 VanDerWaalsContact CG1-CD1 3.49Å; V67-I91 HydrophobicContact CG1-CG1 3.66Å; G68-I91 PolarHBondContact O-N 3.48Å; E70-I91 WeakPolarHBondContact CB-O 3.41Å; E70-I91 PolarHBondContact N-O 2.97Å; F74-I91 WeakPolarHBondContact CZ-O 3.46Å; I91-V115 HydrophobicContact CG2-CB 3.77Å; I91-V115 HydrophobicContact CG2-CG1 4.27Å; I91-V115 HydrophobicContact CG2-CG2 4.31Å; I91-D116 WeakPolarHBondContact CA-O 3.26Å; I91-M117 HydrophobicContact CD1-CB 4.34Å; I91-M117 HydrophobicContact CD1-CG 4.39Å; I91-M117 HydrophobicContact CD1-SD 4.11Å; I91-M117 HydrophobicContact CG1-CB 3.96Å; I91-M117 HydrophobicContact CG1-CG 4Å; I91-M117 HydrophobicContact CG1-SD 4.33Å; I91-C144 HydrophobicContact CD1-CB 3.76Å; I91-L147 HydrophobicContact CD1-CB 4.26Å; I91-L147 HydrophobicContact CD1-CD1 4.1Å; I91-L147 HydrophobicContact CG2-CD1 3.88Å
92R97.8Very high97.1Very high78 Ų7866.2 Ų66.229%0.29439%0.385SS..EExtended strand (participates in β ladder)trans-121.4164.4-174.3-61-17070.9179.57.8111.5E70 F74 P90 K96 L97 V115 D116E70-R92 IonicContact OE1-CZ 2.67Å; E70-R92 IonicContact OE1-NE 3.41Å; E70-R92 PolarHBondContact OE1-NE 3.15Å; E70-R92 VanDerWaalsContact OE1-NE 3.15Å; E70-R92 IonicContact OE1-NH2 3.67Å; E70-R92 PolarHBondContact OE1-NH2 3.24Å; E70-R92 WeakPolarHBondContact OE2-CA 3.42Å; F74-R92 HydrophobicContact CE2-CG 3.99Å; F74-R92 HydrophobicContact CZ-CG 3.69Å; P90-R92 HydrophobicContact CB-CG 4.24Å; R92-K96 HydrophobicContact CB-CB 4.05Å; R92-K96 PolarHBondContact NH1-O 3.33Å; R92-L97 HydrophobicContact CB-CD1 4.06Å; R92-L97 HydrophobicContact CB-CD2 4.48Å; R92-L97 HydrophobicContact CB-CG 3.97Å; R92-L97 VanDerWaalsContact CD-CD2 3.5Å; R92-L97 HydrophobicContact CG-CD1 4.24Å; R92-L97 HydrophobicContact CG-CD2 3.94Å; R92-L97 HydrophobicContact CG-CG 3.99Å; R92-V115 CarbonylContact O-C 3.11Å; R92-V115 VanDerWaalsContact O-CA 3.24Å; R92-V115 WeakPolarHBondContact O-CA 3.49Å; R92-D116 PolarHBondContact N-O 2.92Å; R92-D116 PolarHBondContact O-N 3.45Å
93K95.3Very high97Very high108 Ų10862.8 Ų62.847%0.4737%0.373SS..EExtended strand (participates in β ladder)trans-57.8152.7165.7-68.5-173.3174.8-165.30111.1E70 G95 K96 D113E70-K93 WeakPolarHBondContact OE2-CB 3.4Å; E70-K93 PolarHBondContact OE2-N 3.37Å; K93-G95 PolarHBondContact O-N 3.34Å; K93-K96 HydrophobicContact CB-CG 4.42Å; K93-K96 WeakPolarHBondContact O-CB 3.26Å; K93-K96 WeakPolarHBondContact O-CG 3.31Å; K93-K96 PolarHBondContact O-N 3.32Å; K93-D113 WeakPolarHBondContact CE-OD2 3.2Å; K93-D113 IonicContact NZ-OD2 3.67Å
94A95.4Very high96.9Very high49 Ų4960.8 Ų60.841%0.40537%0.368SS..THydrogen-bonded Turntrans-53.5136.1-17500000113.3K96 T114 D116A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3.01Å; A94-T114 HydrophobicContact CB-CG2 3.9Å; A94-T114 PolarHBondContact N-O 3.08Å; A94-D116 WeakPolarHBondContact CA-OD2 3.5Å
95G94.8Very high96.6Very high67 Ų6767.9 Ų67.969%0.69139%0.392SS*.THydrogen-bonded Turntrans75.311.2177.400000115.3K93 D116K93-G95 PolarHBondContact O-N 3.34Å; G95-D116 PolarHBondContact N-OD2 3.15Å
96K96.7Very high96.1Very high125 Ų12561.8 Ų61.854%0.54336%0.358SS..  trans-99.5-0.7175.5-60.4-59.8-175.1-174.90114.3R92 K93 A94R92-K96 HydrophobicContact CB-CB 4.05Å; R92-K96 PolarHBondContact NH1-O 3.33Å; K93-K96 HydrophobicContact CB-CG 4.42Å; K93-K96 WeakPolarHBondContact O-CB 3.26Å; K93-K96 WeakPolarHBondContact O-CG 3.31Å; K93-K96 PolarHBondContact O-N 3.32Å; A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3.01Å
97L95.3Very high95.4Very high27 Ų2765.9 Ų65.914%0.14138%0.383CS..SBendtrans-113.5143.3176.9-70.6165.3000110.2P90 R92 D116 P118P90-L97 HydrophobicContact CG-CD2 4.24Å; R92-L97 HydrophobicContact CB-CD1 4.06Å; R92-L97 HydrophobicContact CB-CD2 4.48Å; R92-L97 HydrophobicContact CB-CG 3.97Å; R92-L97 VanDerWaalsContact CD-CD2 3.5Å; R92-L97 HydrophobicContact CG-CD1 4.24Å; R92-L97 HydrophobicContact CG-CD2 3.94Å; R92-L97 HydrophobicContact CG-CG 3.99Å; L97-D116 HydrophobicContact CD1-CB 3.99Å; L97-D116 VanDerWaalsContact CD1-O 3.25Å; L97-D116 WeakPolarHBondContact CD1-O 3.42Å; L97-P118 HydrophobicContact CD1-CG 3.81Å; L97-P118 HydrophobicContact CD2-CG 4.08Å; L97-P118 HydrophobicContact CG-CG 4.39Å
98P94.6Very high94.5Very high114 Ų11467.4 Ų67.474%0.7438%0.383SS*.  trans-76.9154.1173.833.3-34.4000111
99G94.8Very high93.2Very high61 Ų6172 Ų7263%0.62941%0.405SS*.SBendtrans72.4-171.1171.200000114.7C101G99-C101 PolarHBondContact O-N 2.98Å
100P96.4Very high92Very high94 Ų9481 Ų8161%0.6144%0.44SS*.  trans-64.2132.3-178.9-21.634.2000112K119P100-K119 HydrophobicContact CB-CB 4.33Å; P100-K119 HydrophobicContact CB-CD 3.91Å; P100-K119 HydrophobicContact CB-CG 4.28Å; P100-K119 WeakPolarHBondContact O-CB 3.32Å; P100-K119 PolarHBondContact O-N 3.38Å
101C97.7Very high91.3Very high26 Ų2681 Ų8118%0.17645%0.447CS..EExtended strand (participates in β ladder)trans-124.7151.3177.6-65.30000111.5G99 D116 M117 K119G99-C101 PolarHBondContact O-N 2.98Å; C101-D116 HydrophobicContact CB-CB 3.92Å; C101-M117 CarbonylContact C-O 3.6Å; C101-M117 WeakPolarHBondContact CA-O 3.3Å; C101-M117 WeakPolarHBondContact CB-O 3.18Å; C101-K119 VanDerWaalsContact O-CE 3.26Å; C101-K119 WeakPolarHBondContact O-CE 3.5Å
102F96.6Very high90.8Very high47 Ų4784.9 Ų84.921%0.20647%0.471CS..EExtended strand (participates in β ladder)trans-75.8140.1152-64-68.5000107.9D116 M117 K119 L147 L150F102-D116 CarbonylContact O-C 3.6Å; F102-D116 VanDerWaalsContact O-CA 3.25Å; F102-D116 WeakPolarHBondContact O-CA 3.39Å; F102-M117 HydrophobicContact CD2-CE 3.65Å; F102-M117 HydrophobicContact CE2-CE 4.24Å; F102-M117 PolarHBondContact N-O 2.81Å; F102-M117 PolarHBondContact O-N 3.19Å; F102-K119 HydrophobicContact CD2-CG 4Å; F102-K119 HydrophobicContact CE1-CG 4.49Å; F102-K119 HydrophobicContact CE2-CG 3.99Å; F102-K119 HydrophobicContact CG-CG 4.27Å; F102-K119 HydrophobicContact CZ-CG 4.24Å; F102-L147 HydrophobicContact CB-CD2 3.64Å; F102-L147 WeakPolarHBondContact O-CD2 3.4Å; F102-L150 HydrophobicContact CB-CD1 4.28Å; F102-L150 HydrophobicContact CD1-CB 3.86Å; F102-L150 HydrophobicContact CD1-CD1 4.16Å; F102-L150 HydrophobicContact CE1-CB 4.03Å; F102-L150 HydrophobicContact CG-CB 4.16Å; F102-L150 HydrophobicContact CG-CD1 4.47Å; F102-L150 HydrophobicContact CZ-CB 4.48Å
103S96.8Very high90.5Very high69 Ų6983 Ų8348%0.48347%0.466SS..EExtended strand (participates in β ladder)trans-128138.9179.6-57.70000110.1V115 D116S103-V115 CarbonylContact C-O 3.59Å; S103-V115 WeakPolarHBondContact CA-O 3.3Å; S103-D116 VanDerWaalsContact CB-OD1 3.23Å; S103-D116 WeakPolarHBondContact CB-OD1 3.33Å; S103-D116 PolarHBondContact OG-OD1 3.3Å
104H96Very high90.5Very high50 Ų5079.1 Ų79.123%0.23145%0.452CS..EExtended strand (participates in β ladder)trans-133.2120176.3-170.880.1000110.1T114 V115 N146 L147H104-T114 WeakPolarHBondContact O-CA 3.49Å; H104-V115 PolarHBondContact N-O 3.41Å; H104-V115 PolarHBondContact O-N 3.46Å; H104-N146 PolarHBondContact CE1-ND2 3.33Å; H104-N146 PolarHBondContact NE2-ND2 3.39Å; H104-N146 VanDerWaalsContact NE2-ND2 3.15Å; H104-L147 HydrophobicContact CB-CD1 4.35Å; H104-L147 HydrophobicContact CB-CD2 3.76Å; H104-L147 HydrophobicContact CB-CG 3.74Å
105R93.8Very high90.6Very high179 Ų17977.5 Ų77.568%0.67544%0.437SS*.EExtended strand (participates in β ladder)trans-91.1131.7175-178.3178.6-66.3167-0.5109.2D113R105-D113 WeakPolarHBondContact CA-O 3.41Å
106Y87.7Confident90.7Very high25 Ų2574.9 Ų74.910%0.09841%0.407CS..EExtended strand (participates in β ladder)trans-133.1154.1178.465.4-77.2000110.9L108 T112 D113 V115 A143Y106-L108 HydrophobicContact CD2-CD2 4.15Å; Y106-L108 HydrophobicContact CE2-CD2 3.59Å; Y106-L108 HydrophobicContact CE2-CG 4.31Å; Y106-T112 CarbonylContact O-C 3.49Å; Y106-T112 VanDerWaalsContact O-CA 3.27Å; Y106-T112 WeakPolarHBondContact O-CA 3.47Å; Y106-D113 WeakPolarHBondContact CD1-O 3.35Å; Y106-D113 HydrophobicContact CE1-CB 3.79Å; Y106-D113 HydrophobicContact CE2-CB 4.33Å; Y106-D113 PolarHBondContact N-O 2.9Å; Y106-D113 PolarHBondContact O-N 3.44Å; Y106-V115 HydrophobicContact CD1-CG2 4.33Å; Y106-V115 HydrophobicContact CE1-CG1 4.05Å; Y106-V115 HydrophobicContact CE1-CG2 4.08Å; Y106-A143 HydrophobicContact CD1-CB 3.65Å; Y106-A143 HydrophobicContact CE1-CB 4.13Å; Y106-A143 HydrophobicContact CG-CB 3.94Å
107T83.2Confident90.8Very high112 Ų11269 Ų6969%0.68738%0.381SS*.EExtended strand (participates in β ladder)trans-91.8132.3-176.4-56.20000110.7
108L79Confident90.8Very high82 Ų8268.7 Ų68.743%0.42938%0.381SS..EExtended strand (participates in β ladder)trans-101.8170.5170-61.5177.2000109.7Y106 Y110 G111 D113Y106-L108 HydrophobicContact CD2-CD2 4.15Å; Y106-L108 HydrophobicContact CE2-CD2 3.59Å; Y106-L108 HydrophobicContact CE2-CG 4.31Å; L108-Y110 PolarHBondContact O-N 2.85Å; L108-G111 WeakPolarHBondContact CA-O 3.13Å; L108-G111 PolarHBondContact N-O 3.26Å; L108-G111 PolarHBondContact O-N 3.09Å; L108-D113 HydrophobicContact CD1-CB 3.93Å; L108-D113 HydrophobicContact CG-CB 4.41Å
109E72.2Confident90.9Very high155 Ų15567.4 Ų67.472%0.72436%0.364SS*.THydrogen-bonded Turntrans-55.1-36.7177.3-68.7179.2-178.500113.3
110Y71.5Confident90.7Very high195 Ų19571.6 Ų71.677%0.76537%0.372SS*.THydrogen-bonded Turntrans-124.624.7-175.6-58.3-77.4000113.6L108L108-Y110 PolarHBondContact O-N 2.85Å
111G84.2Confident90.6Very high36 Ų3670.3 Ų70.337%0.37136%0.362SS..EExtended strand (participates in β ladder)trans167.2-159.9178.800000114.2L108L108-G111 WeakPolarHBondContact CA-O 3.13Å; L108-G111 PolarHBondContact N-O 3.26Å; L108-G111 PolarHBondContact O-N 3.09Å
112T87.9Confident90.6Very high84 Ų8469.5 Ų69.552%0.51536%0.356SS..EExtended strand (participates in β ladder)trans-127.2143.5171.859.40000109.1Y106Y106-T112 CarbonylContact O-C 3.49Å; Y106-T112 VanDerWaalsContact O-CA 3.27Å; Y106-T112 WeakPolarHBondContact O-CA 3.47Å
113D91.4Very high90.6Very high37 Ų3772.3 Ų72.320%0.19837%0.373CS..EExtended strand (participates in β ladder)trans-117.7164.1168-157.1-8.6000108.8K93 R105 Y106 L108K93-D113 WeakPolarHBondContact CE-OD2 3.2Å; K93-D113 IonicContact NZ-OD2 3.67Å; R105-D113 WeakPolarHBondContact CA-O 3.41Å; Y106-D113 WeakPolarHBondContact CD1-O 3.35Å; Y106-D113 HydrophobicContact CE1-CB 3.79Å; Y106-D113 HydrophobicContact CE2-CB 4.33Å; Y106-D113 PolarHBondContact N-O 2.9Å; Y106-D113 PolarHBondContact O-N 3.44Å; L108-D113 HydrophobicContact CD1-CB 3.93Å; L108-D113 HydrophobicContact CG-CB 4.41Å
114T95.2Very high90.6Very high28 Ų2872.9 Ų72.917%0.17238%0.382CS..EExtended strand (participates in β ladder)trans-136.1129.6178.4-58.20000108.6A94 H104A94-T114 HydrophobicContact CB-CG2 3.9Å; A94-T114 PolarHBondContact N-O 3.08Å; H104-T114 WeakPolarHBondContact O-CA 3.49Å
115V96.9Very high90.7Very high14 Ų1473.1 Ų73.19%0.08540%0.398CS..EExtended strand (participates in β ladder)trans-111.9146.2175.7-76.40000110.2I91 R92 S103 H104 Y106 A143 L147I91-V115 HydrophobicContact CG2-CB 3.77Å; I91-V115 HydrophobicContact CG2-CG1 4.27Å; I91-V115 HydrophobicContact CG2-CG2 4.31Å; R92-V115 CarbonylContact O-C 3.11Å; R92-V115 VanDerWaalsContact O-CA 3.24Å; R92-V115 WeakPolarHBondContact O-CA 3.49Å; S103-V115 CarbonylContact C-O 3.59Å; S103-V115 WeakPolarHBondContact CA-O 3.3Å; H104-V115 PolarHBondContact N-O 3.41Å; H104-V115 PolarHBondContact O-N 3.46Å; Y106-V115 HydrophobicContact CD1-CG2 4.33Å; Y106-V115 HydrophobicContact CE1-CG1 4.05Å; Y106-V115 HydrophobicContact CE1-CG2 4.08Å; V115-A143 HydrophobicContact CG2-CB 3.75Å; V115-L147 HydrophobicContact CB-CD1 4.12Å; V115-L147 HydrophobicContact CG2-CD1 3.66Å
116D97.9Very high90.9Very high13 Ų1365.8 Ų65.87%0.0737%0.372CS..EExtended strand (participates in β ladder)trans-117.3139.6-179.5-73.1-11.4000110I91 R92 A94 G95 L97 C101 F102 S103I91-D116 WeakPolarHBondContact CA-O 3.26Å; R92-D116 PolarHBondContact N-O 2.92Å; R92-D116 PolarHBondContact O-N 3.45Å; A94-D116 WeakPolarHBondContact CA-OD2 3.5Å; G95-D116 PolarHBondContact N-OD2 3.15Å; L97-D116 HydrophobicContact CD1-CB 3.99Å; L97-D116 VanDerWaalsContact CD1-O 3.25Å; L97-D116 WeakPolarHBondContact CD1-O 3.42Å; C101-D116 HydrophobicContact CB-CB 3.92Å; F102-D116 CarbonylContact O-C 3.6Å; F102-D116 VanDerWaalsContact O-CA 3.25Å; F102-D116 WeakPolarHBondContact O-CA 3.39Å; S103-D116 VanDerWaalsContact CB-OD1 3.23Å; S103-D116 WeakPolarHBondContact CB-OD1 3.33Å; S103-D116 PolarHBondContact OG-OD1 3.3Å
117M97.6Very high91.4Very high0 Ų065.7 Ų65.70%037%0.373CS..EExtended strand (participates in β ladder)trans-120.6132.1167.2-173.8175.474.200108V89 I91 C101 F102 K119 I122 L147 V148V89-M117 HydrophobicContact CG1-CG 4.27Å; I91-M117 HydrophobicContact CD1-CB 4.34Å; I91-M117 HydrophobicContact CD1-CG 4.39Å; I91-M117 HydrophobicContact CD1-SD 4.11Å; I91-M117 HydrophobicContact CG1-CB 3.96Å; I91-M117 HydrophobicContact CG1-CG 4Å; I91-M117 HydrophobicContact CG1-SD 4.33Å; C101-M117 CarbonylContact C-O 3.6Å; C101-M117 WeakPolarHBondContact CA-O 3.3Å; C101-M117 WeakPolarHBondContact CB-O 3.18Å; F102-M117 HydrophobicContact CD2-CE 3.65Å; F102-M117 HydrophobicContact CE2-CE 4.24Å; F102-M117 PolarHBondContact N-O 2.81Å; F102-M117 PolarHBondContact O-N 3.19Å; M117-K119 PolarHBondContact O-N 3.48Å; M117-I122 HydrophobicContact CE-CD1 4.36Å; M117-I122 HydrophobicContact SD-CD1 3.61Å; M117-L147 HydrophobicContact CB-CB 4.21Å; M117-L147 HydrophobicContact CB-CD1 4.13Å; M117-L147 HydrophobicContact CB-CD2 4.46Å; M117-L147 HydrophobicContact CE-CB 4.42Å; M117-L147 WeakPolarHBondContact CE-O 3.23Å; M117-L147 HydrophobicContact SD-CB 4.35Å; M117-V148 HydrophobicContact SD-CG2 4.24Å
118P96.4Very high92.2Very high21 Ų2160.3 Ų60.314%0.13634%0.34CS..EExtended strand (participates in β ladder)trans-57.9142.6177.1-17.530.6000110.4L97 V121L97-P118 HydrophobicContact CD1-CG 3.81Å; L97-P118 HydrophobicContact CD2-CG 4.08Å; L97-P118 HydrophobicContact CG-CG 4.39Å; P118-V121 HydrophobicContact CB-CG1 3.87Å; P118-V121 HydrophobicContact CB-CG2 3.81Å; P118-V121 HydrophobicContact CG-CG2 4.17Å; P118-V121 WeakPolarHBondContact O-CG2 3.43Å
119K95.1Very high93.1Very high87 Ų8756.4 Ų56.438%0.37832%0.32SS..THydrogen-bonded Turntrans-72.4155.5169.4-67.3-171.4179.9-1790109.9P100 C101 F102 M117 V121P100-K119 HydrophobicContact CB-CB 4.33Å; P100-K119 HydrophobicContact CB-CD 3.91Å; P100-K119 HydrophobicContact CB-CG 4.28Å; P100-K119 WeakPolarHBondContact O-CB 3.32Å; P100-K119 PolarHBondContact O-N 3.38Å; C101-K119 VanDerWaalsContact O-CE 3.26Å; C101-K119 WeakPolarHBondContact O-CE 3.5Å; F102-K119 HydrophobicContact CD2-CG 4Å; F102-K119 HydrophobicContact CE1-CG 4.49Å; F102-K119 HydrophobicContact CE2-CG 3.99Å; F102-K119 HydrophobicContact CG-CG 4.27Å; F102-K119 HydrophobicContact CZ-CG 4.24Å; M117-K119 PolarHBondContact O-N 3.48Å; K119-V121 PolarHBondContact O-N 2.88Å; K119-V121 VanDerWaalsContact O-N 3.08Å
120D90.7Very high94.4Very high150 Ų15049 Ų4980%0.80229%0.285SS*.THydrogen-bonded Turntrans62.216.3170.6-44.9-48.2000115.9
121V95Very high95.7Very high66 Ų6639.8 Ų39.840%0.425%0.249SC..SBendtrans-102.3-11.3173.3-59.60000113.6V89 P118 K119V89-V121 HydrophobicContact CB-CG2 4.4Å; V89-V121 HydrophobicContact CG1-CG2 3.65Å; V89-V121 HydrophobicContact CG2-CB 4.08Å; V89-V121 HydrophobicContact CG2-CG2 3.79Å; P118-V121 HydrophobicContact CB-CG1 3.87Å; P118-V121 HydrophobicContact CB-CG2 3.81Å; P118-V121 HydrophobicContact CG-CG2 4.17Å; P118-V121 WeakPolarHBondContact O-CG2 3.43Å; K119-V121 PolarHBondContact O-N 2.88Å; K119-V121 VanDerWaalsContact O-N 3.08Å
122I97.3Very high96.3Very high10 Ų1038.6 Ų38.65%0.05123%0.234CC..SBendtrans-126.4129.7173.9-64.1-179000107.3V65 V67 V89 M117 D126 I128 S151 A153V65-I122 HydrophobicContact CG1-CG1 4.44Å; V67-I122 HydrophobicContact CG2-CD1 3.73Å; V89-I122 HydrophobicContact CB-CD1 4.38Å; V89-I122 HydrophobicContact CB-CG1 4.41Å; V89-I122 HydrophobicContact CG1-CD1 4.23Å; V89-I122 HydrophobicContact CG1-CG1 4.39Å; V89-I122 HydrophobicContact CG2-CD1 4.46Å; V89-I122 HydrophobicContact CG2-CG1 3.96Å; M117-I122 HydrophobicContact CE-CD1 4.36Å; M117-I122 HydrophobicContact SD-CD1 3.61Å; I122-D126 HydrophobicContact CG2-CB 4.02Å; I122-I128 HydrophobicContact CD1-CD1 4.15Å; I122-I128 HydrophobicContact CG2-CD1 3.82Å; I122-S151 WeakPolarHBondContact CG2-OG 3.25Å; I122-A153 HydrophobicContact CG2-CB 3.35Å
123N97Very high96.7Very high106 Ų10634.6 Ų34.657%0.56721%0.21SC*.  trans-89153179.1-55.1-69.4000111.3G125 D126N123-G125 PolarHBondContact O-N 2.92Å; N123-D126 WeakPolarHBondContact CB-OD2 3.4Å; N123-D126 PolarHBondContact N-OD2 3.34Å; N123-D126 PolarHBondContact ND2-OD2 3.27Å; N123-D126 WeakPolarHBondContact O-CB 3.07Å; N123-D126 PolarHBondContact O-N 2.84Å; N123-D126 VanDerWaalsContact O-N 3.13Å
124A97.4Very high96.9Very high81 Ų8134.1 Ų34.167%0.66921%0.208SC*.THydrogen-bonded Turntrans-58.7133171.200000110.6D126A124-D126 VanDerWaalsContact C-N 3.35Å
125G97.3Very high97Very high54 Ų5432.9 Ų32.956%0.55720%0.201SC*.THydrogen-bonded Turntrans85-5.7-176.600000115.9N123 N127 G152N123-G125 PolarHBondContact O-N 2.92Å; G125-N127 PolarHBondContact O-N 2.96Å; G125-G152 PolarHBondContact N-O 3.42Å
126D98.5Very high96.8Very high26 Ų2633.9 Ų33.914%0.13921%0.21CC..  trans-59.1138.4173.5-78.3-16.1000110.8D64 V65 I122 N123 A124 I128 A153 K154D64-D126 HydrophobicContact CB-CB 4.14Å; V65-D126 HydrophobicContact CG2-CB 4.27Å; I122-D126 HydrophobicContact CG2-CB 4.02Å; N123-D126 WeakPolarHBondContact CB-OD2 3.4Å; N123-D126 PolarHBondContact N-OD2 3.34Å; N123-D126 PolarHBondContact ND2-OD2 3.27Å; N123-D126 WeakPolarHBondContact O-CB 3.07Å; N123-D126 PolarHBondContact O-N 2.84Å; N123-D126 VanDerWaalsContact O-N 3.13Å; A124-D126 VanDerWaalsContact C-N 3.35Å; D126-I128 HydrophobicContact CB-CD1 3.86Å; D126-A153 HydrophobicContact CB-CB 4.07Å; D126-A153 WeakPolarHBondContact O-CB 3.32Å; D126-K154 PolarHBondContact O-N 3.46Å
127N98.6Very high96.6Very high22 Ų2235.8 Ų35.812%0.11822%0.222CC..EExtended strand (participates in β ladder)trans-90.9114.8176-65-72.9000110.1K62 D64 V65 G125 L156K62-N127 WeakPolarHBondContact O-CB 3.4Å; D64-N127 PolarHBondContact N-O 3.41Å; D64-N127 VanDerWaalsContact OD2-CB 3.3Å; D64-N127 WeakPolarHBondContact OD2-CB 3.49Å; D64-N127 PolarHBondContact OD2-N 2.99Å; D64-N127 PolarHBondContact OD2-ND2 2.87Å; V65-N127 PolarHBondContact N-O 3.05Å; G125-N127 PolarHBondContact O-N 2.96Å; N127-L156 HydrophobicContact CB-CD1 3.66Å; N127-L156 HydrophobicContact CB-CD2 4.21Å; N127-L156 HydrophobicContact CB-CG 3.73Å; N127-L156 WeakPolarHBondContact OD1-CD2 3.42Å
128I98.7Very high96.4Very high0 Ų036 Ų360%022%0.224CC..EExtended strand (participates in β ladder)trans-102.7132.4-170-49.5-57.3000111.4V65 V67 I122 D126 L130 V148 A153 K154 V155 L156V65-I128 HydrophobicContact CB-CD1 3.61Å; V65-I128 HydrophobicContact CG1-CD1 4.49Å; V65-I128 HydrophobicContact CG2-CD1 3.81Å; V65-I128 WeakPolarHBondContact O-CA 3.45Å; V67-I128 HydrophobicContact CB-CG2 3.88Å; V67-I128 HydrophobicContact CG2-CG2 3.46Å; V67-I128 VanDerWaalsContact CG2-CG2 3.46Å; I122-I128 HydrophobicContact CD1-CD1 4.15Å; I122-I128 HydrophobicContact CG2-CD1 3.82Å; D126-I128 HydrophobicContact CB-CD1 3.86Å; I128-L130 HydrophobicContact CG2-CD2 4Å; I128-V148 HydrophobicContact CB-CG1 4.18Å; I128-V148 HydrophobicContact CG1-CG1 3.62Å; I128-V148 HydrophobicContact CG2-CG1 4.48Å; I128-V148 HydrophobicContact CG2-CG2 4.19Å; I128-A153 HydrophobicContact CD1-CB 4.05Å; I128-A153 HydrophobicContact CG1-CB 3.85Å; I128-K154 PolarHBondContact N-O 2.83Å; I128-V155 HydrophobicContact CB-CG2 4.5Å; I128-L156 PolarHBondContact O-N 3.44Å
129L98.8Very high96.2Very high0 Ų035.2 Ų35.20%022%0.22CC..EExtended strand (participates in β ladder)trans-99.7115.4162.1170.453.8000108.9A52 I63 V65 V66 V67 L80 L84 F157 L159A52-L129 HydrophobicContact CB-CD2 3.78Å; I63-L129 HydrophobicContact CD1-CB 4.23Å; I63-L129 HydrophobicContact CD1-CD2 3.92Å; I63-L129 HydrophobicContact CG1-CB 4.39Å; I63-L129 HydrophobicContact CG2-CB 3.75Å; V65-L129 PolarHBondContact O-N 2.97Å; V66-L129 CarbonylContact C-O 3.36Å; V66-L129 WeakPolarHBondContact CA-O 3.34Å; V66-L129 HydrophobicContact CG2-CB 4.36Å; V66-L129 HydrophobicContact CG2-CD2 4.2Å; V67-L129 PolarHBondContact N-O 3.09Å; L80-L129 HydrophobicContact CD2-CD2 3.96Å; L84-L129 HydrophobicContact CD1-CD2 4.19Å; L129-F157 HydrophobicContact CD1-CD2 3.49Å; L129-F157 VanDerWaalsContact CD1-CD2 3.49Å; L129-F157 HydrophobicContact CD1-CE2 3.32Å; L129-F157 HydrophobicContact CD1-CG 4.49Å; L129-F157 HydrophobicContact CD1-CZ 4.19Å; L129-F157 HydrophobicContact CD2-CE2 4.39Å; L129-F157 HydrophobicContact CG-CE2 4.39Å; L129-L159 HydrophobicContact CD1-CB 3.77Å
130L98.8Very high96.1Very high0 Ų033.5 Ų33.50%022%0.219CC..EExtended strand (participates in β ladder)trans-80.6130.3168.7-60.8-176.6000109.7V67 I128 L141 C144 V145 V148 V155 F157 S158 L159V67-L130 HydrophobicContact CB-CD2 3.77Å; V67-L130 HydrophobicContact CG1-CD2 3.79Å; V67-L130 WeakPolarHBondContact O-CA 3.35Å; I128-L130 HydrophobicContact CG2-CD2 4Å; L130-L141 HydrophobicContact CB-CD2 3.91Å; L130-L141 HydrophobicContact CD1-CD2 4.02Å; L130-C144 HydrophobicContact CD1-CB 4.13Å; L130-C144 HydrophobicContact CD2-CB 4.21Å; L130-V145 HydrophobicContact CD1-CG2 3.61Å; L130-V148 HydrophobicContact CD2-CG2 4.21Å; L130-V155 HydrophobicContact CD1-CG1 3.93Å; L130-V155 HydrophobicContact CD1-CG2 4.12Å; L130-V155 HydrophobicContact CD2-CG2 4.41Å; L130-V155 HydrophobicContact CG-CG1 3.82Å; L130-V155 HydrophobicContact CG-CG2 4.17Å; L130-F157 PolarHBondContact N-O 2.98Å; L130-S158 WeakPolarHBondContact O-CA 3.49Å; L130-L159 PolarHBondContact O-N 3.25Å
131L98.7Very high96.4Very high0 Ų026.6 Ų26.60%018%0.182CC..EExtended strand (participates in β ladder)trans-125127.2178.2-170.978.3000111.4L48 V66 V67 G68 L69 G77 L80 L159 Y161L48-L131 HydrophobicContact CD2-CD1 4.3Å; V66-L131 HydrophobicContact CG1-CB 4.08Å; V66-L131 HydrophobicContact CG1-CD2 4.47Å; V67-L131 PolarHBondContact O-N 2.91Å; G68-L131 WeakPolarHBondContact CA-O 3.31Å; L69-L131 PolarHBondContact N-O 2.9Å; G77-L131 VanDerWaalsContact CA-CD2 3.46Å; L80-L131 HydrophobicContact CD2-CD1 3.95Å; L80-L131 HydrophobicContact CD2-CD2 4Å; L131-L159 WeakPolarHBondContact CA-O 3.45Å; L131-L159 HydrophobicContact CD1-CB 4.13Å; L131-L159 HydrophobicContact CD1-CD2 4.19Å; L131-L159 HydrophobicContact CD1-CG 4.05Å; L131-Y161 HydrophobicContact CD1-CE1 4.14Å; L131-Y161 HydrophobicContact CG-CE1 4.43Å
132D97.7Very high96.4Very high11 Ų1125.8 Ų25.86%0.05917%0.174CC..EExtended strand (participates in β ladder)trans-145.1173.4169.2-156.27000111.3L69 G73 L159 V160 Y161L69-D132 HydrophobicContact CB-CB 4Å; L69-D132 HydrophobicContact CD2-CB 4.24Å; L69-D132 HydrophobicContact CG-CB 4.47Å; G73-D132 PolarHBondContact N-OD1 3.02Å; D132-L159 PolarHBondContact N-O 3.04Å; D132-V160 HydrophobicContact CB-CG1 4.38Å; D132-V160 VanDerWaalsContact O-CA 3.26Å; D132-V160 WeakPolarHBondContact O-CA 3.45Å; D132-Y161 PolarHBondContact O-N 3.11Å
133D96.6Very high96.4Very high0 Ų025.3 Ų25.30%017%0.172CC..EExtended strand (participates in β ladder)trans-82.1-39.3179.674.7-47.9000113.5F31 R72 Y161 M162F31-D133 HydrophobicContact CD1-CB 4.32Å; F31-D133 HydrophobicContact CE1-CB 3.87Å; F31-D133 HydrophobicContact CZ-CB 4.48Å; R72-D133 HydrophobicContact CB-CB 3.74Å; R72-D133 VanDerWaalsContact CB-CG 3.44Å; R72-D133 WeakPolarHBondContact CB-OD1 3.42Å; R72-D133 WeakPolarHBondContact CD-OD2 3.42Å; R72-D133 IonicContact CZ-OD1 3.97Å; R72-D133 IonicContact CZ-OD2 3.02Å; R72-D133 IonicContact NE-OD1 3.56Å; R72-D133 PolarHBondContact NE-OD1 3.47Å; R72-D133 IonicContact NE-OD2 3.15Å; R72-D133 PolarHBondContact NE-OD2 3.31Å; R72-D133 IonicContact NH2-OD1 2.72Å; R72-D133 PolarHBondContact NH2-OD1 3.47Å; R72-D133 IonicContact NH2-OD2 3.65Å; D133-Y161 HydrophobicContact CB-CD2 3.63Å; D133-Y161 HydrophobicContact CB-CE2 3.75Å; D133-Y161 HydrophobicContact CB-CG 4.39Å; D133-Y161 WeakPolarHBondContact O-CA 3.39Å; D133-Y161 VanDerWaalsContact O-CB 3.32Å; D133-Y161 WeakPolarHBondContact O-CB 3.46Å; D133-Y161 PolarHBondContact O-N 2.72Å; D133-Y161 VanDerWaalsContact O-N 3.11Å; D133-M162 PolarHBondContact O-N 3.09Å
134V95.7Very high96.4Very high28 Ų2820.3 Ų20.317%0.1715%0.145CC..EExtended strand (participates in β ladder)trans-134.8129.4-172.9177.20000111.8M162 L164V134-M162 CarbonylContact C-O 3.47Å; V134-M162 VanDerWaalsContact CA-O 3.28Å; V134-M162 WeakPolarHBondContact CA-O 3.46Å; V134-M162 HydrophobicContact CG2-CB 4.22Å; V134-M162 HydrophobicContact CG2-CE 3.61Å; V134-M162 HydrophobicContact CG2-SD 4.48Å; V134-L164 HydrophobicContact CG1-CD1 4.16Å; V134-L164 HydrophobicContact CG1-CG 4.01Å
135L95.9Very high96.4Very high2 Ų216.6 Ų16.61%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-90112159.8175.261.6000110.1L141 V160 M162 E163 L164 R170 L173 V180L135-L141 HydrophobicContact CD1-CD1 3.88Å; L135-V160 HydrophobicContact CB-CB 4.42Å; L135-V160 HydrophobicContact CB-CG1 4.11Å; L135-V160 HydrophobicContact CB-CG2 3.83Å; L135-M162 PolarHBondContact N-O 3.18Å; L135-E163 HydrophobicContact CB-CB 4.39Å; L135-E163 HydrophobicContact CB-CG 4.38Å; L135-E163 HydrophobicContact CD2-CG 4.02Å; L135-E163 HydrophobicContact CG-CG 4.38Å; L135-L164 PolarHBondContact O-N 2.89Å; L135-R170 HydrophobicContact CD2-CB 4.21Å; L135-L173 HydrophobicContact CD1-CD1 4.19Å; L135-V180 HydrophobicContact CD2-CB 4.44Å; L135-V180 HydrophobicContact CD2-CG1 3.54Å; L135-V180 HydrophobicContact CD2-CG2 4.42Å
136A93.3Very high96.4Very high34 Ų3416.2 Ų16.228%0.28110%0.099SC..SBendtrans-102.3-106.7172.200000110.6G138 L164 L167 G169A136-G138 VanDerWaalsContact C-N 3.26Å; A136-G138 PolarHBondContact O-N 3.44Å; A136-L164 HydrophobicContact CB-CD1 4.09Å; A136-L167 HydrophobicContact CB-CD1 3.74Å; A136-L167 WeakPolarHBondContact O-CB 3.38Å; A136-G169 VanDerWaalsContact O-CA 3.24Å; A136-G169 WeakPolarHBondContact O-CA 3.45Å; A136-G169 PolarHBondContact O-N 3.28Å
137T92.7Very high96.3Very high53 Ų5315 Ų1533%0.3259%0.092SC..SBendtrans-77.8-8.2178.461.60000114G139 L167 G169 R172T137-G139 VanDerWaalsContact C-N 3.29Å; T137-G139 PolarHBondContact O-N 2.93Å; T137-L167 HydrophobicContact CG2-CB 4.37Å; T137-L167 HydrophobicContact CG2-CD1 4.37Å; T137-G169 VanDerWaalsContact C-CA 3.45Å; T137-G169 WeakPolarHBondContact O-CA 3.21Å; T137-R172 WeakPolarHBondContact O-CD 3.39Å; T137-R172 PolarHBondContact O-NE 3.46Å
138G93.6Very high96.3Very high5 Ų513.9 Ų13.95%0.0529%0.087CC..SBendtrans82.1-9.4-177.800000115.5A136 S140 L141 E142A136-G138 VanDerWaalsContact C-N 3.26Å; A136-G138 PolarHBondContact O-N 3.44Å; G138-S140 PolarHBondContact O-N 3.12Å; G138-L141 PolarHBondContact O-N 3.46Å; G138-E142 WeakPolarHBondContact O-CB 3.24Å; G138-E142 PolarHBondContact O-N 3.4Å
139G93.2Very high96.2Very high4 Ų418 Ų184%0.04111%0.109CC..Hα-helixtrans-58.6-41.6-174.700000114.7T137 E142 A143T137-G139 VanDerWaalsContact C-N 3.29Å; T137-G139 PolarHBondContact O-N 2.93Å; G139-E142 PolarHBondContact O-N 3.12Å; G139-A143 WeakPolarHBondContact O-CB 3.48Å; G139-A143 PolarHBondContact O-N 3.03Å
140S93Very high96.1Very high51 Ų5122.8 Ų22.836%0.35713%0.133SC..Hα-helixtrans-65.2-41.3177.9-51.20000112.4G138 A143 C144G138-S140 PolarHBondContact O-N 3.12Å; S140-A143 PolarHBondContact O-N 3.09Å; S140-C144 PolarHBondContact O-N 3.02Å; S140-C144 VanDerWaalsContact O-N 3.15Å; S140-C144 PolarHBondContact O-SG 3.4Å
141L96Very high96Very high5 Ų523.7 Ų23.73%0.02614%0.14CC..Hα-helixtrans-70.8-40.4178.2-79.8163.3000111.2L69 L130 L135 G138 A143 C144 V145 V160 L173L69-L141 HydrophobicContact CD1-CD2 3.98Å; L69-L141 HydrophobicContact CD2-CD2 3.79Å; L69-L141 HydrophobicContact CD2-CG 3.99Å; L130-L141 HydrophobicContact CB-CD2 3.91Å; L130-L141 HydrophobicContact CD1-CD2 4.02Å; L135-L141 HydrophobicContact CD1-CD1 3.88Å; G138-L141 PolarHBondContact O-N 3.46Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 2.95Å; L141-C144 CarbonylContact O-C 3.56Å; L141-C144 WeakPolarHBondContact O-CB 3.44Å; L141-C144 PolarHBondContact O-N 2.77Å; L141-C144 VanDerWaalsContact O-N 3.09Å; L141-V145 WeakPolarHBondContact O-CG2 3.35Å; L141-V145 PolarHBondContact O-N 2.94Å; L141-V160 HydrophobicContact CD1-CG1 3.95Å; L141-L173 HydrophobicContact CB-CD1 3.74Å; L141-L173 HydrophobicContact CB-CD2 3.79Å; L141-L173 HydrophobicContact CB-CG 4.35Å; L141-L173 HydrophobicContact CD1-CD1 3.75Å; L141-L173 HydrophobicContact CG-CD1 4.33Å
142E96.4Very high95.9Very high50 Ų5025.7 Ų25.723%0.23416%0.161CC..Hα-helixtrans-56.1-46.5171.6162.1176.9-117.900111.6G138 G139 C144 V145 N146 R172 L173 L176G138-E142 WeakPolarHBondContact O-CB 3.24Å; G138-E142 PolarHBondContact O-N 3.4Å; G139-E142 PolarHBondContact O-N 3.12Å; E142-C144 PolarHBondContact O-N 3.24Å; E142-V145 WeakPolarHBondContact O-CB 3.25Å; E142-V145 PolarHBondContact O-N 3.44Å; E142-N146 PolarHBondContact O-N 2.98Å; E142-N146 PolarHBondContact O-ND2 3.45Å; E142-R172 HydrophobicContact CB-CG 4.49Å; E142-R172 WeakPolarHBondContact OE2-CD 3.22Å; E142-R172 IonicContact OE2-CZ 2.65Å; E142-R172 IonicContact OE2-NE 3.44Å; E142-R172 IonicContact OE2-NH1 3.64Å; E142-R172 PolarHBondContact OE2-NH1 2.73Å; E142-L173 HydrophobicContact CB-CD2 4.43Å; E142-L176 HydrophobicContact CB-CD1 3.93Å; E142-L176 HydrophobicContact CG-CD1 3.84Å
143A96.3Very high96Very high0 Ų025.5 Ų25.50%016%0.161CC..Hα-helixtrans-58.5-38.7175.800000112.1Y106 V115 G139 S140 L141 N146 L147Y106-A143 HydrophobicContact CD1-CB 3.65Å; Y106-A143 HydrophobicContact CE1-CB 4.13Å; Y106-A143 HydrophobicContact CG-CB 3.94Å; V115-A143 HydrophobicContact CG2-CB 3.75Å; G139-A143 WeakPolarHBondContact O-CB 3.48Å; G139-A143 PolarHBondContact O-N 3.03Å; S140-A143 PolarHBondContact O-N 3.09Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 2.95Å; A143-N146 PolarHBondContact O-N 3.33Å; A143-L147 WeakPolarHBondContact O-CG 3.46Å; A143-L147 PolarHBondContact O-N 2.97Å; A143-L147 VanDerWaalsContact O-N 3.08Å
144C97.1Very high96Very high1 Ų131.9 Ų31.91%0.00719%0.189CC..Hα-helixtrans-70.5-40.2176.4-64.50000112.7L69 I91 L130 S140 L141 E142 N146 L147 V148L69-C144 HydrophobicContact CD1-CB 4.26Å; L69-C144 VanDerWaalsContact CD2-SG 3.55Å; L69-C144 HydrophobicContact CG-CB 4.49Å; L69-C144 WeakPolarHBondContact CG-SG 3.45Å; I91-C144 HydrophobicContact CD1-CB 3.76Å; L130-C144 HydrophobicContact CD1-CB 4.13Å; L130-C144 HydrophobicContact CD2-CB 4.21Å; S140-C144 PolarHBondContact O-N 3.02Å; S140-C144 VanDerWaalsContact O-N 3.15Å; S140-C144 PolarHBondContact O-SG 3.4Å; L141-C144 CarbonylContact O-C 3.56Å; L141-C144 WeakPolarHBondContact O-CB 3.44Å; L141-C144 PolarHBondContact O-N 2.77Å; L141-C144 VanDerWaalsContact O-N 3.09Å; E142-C144 PolarHBondContact O-N 3.24Å; C144-N146 VanDerWaalsContact C-N 3.27Å; C144-N146 PolarHBondContact O-N 3.4Å; C144-L147 PolarHBondContact O-N 3.16Å; C144-V148 WeakPolarHBondContact O-CG2 3.44Å; C144-V148 PolarHBondContact O-N 3.25Å
145V97.9Very high96.1Very high2 Ų230.9 Ų30.91%0.01218%0.183CC..Hα-helixtrans-56.7-45.2172.8172.50000109.9L130 L141 E142 V148 N149 V155 L173 L176 V178L130-V145 HydrophobicContact CD1-CG2 3.61Å; L141-V145 WeakPolarHBondContact O-CG2 3.35Å; L141-V145 PolarHBondContact O-N 2.94Å; E142-V145 WeakPolarHBondContact O-CB 3.25Å; E142-V145 PolarHBondContact O-N 3.44Å; V145-V148 PolarHBondContact O-N 2.99Å; V145-N149 PolarHBondContact O-N 2.9Å; V145-N149 PolarHBondContact O-ND2 2.9Å; V145-V155 HydrophobicContact CB-CG2 4.47Å; V145-V155 HydrophobicContact CG1-CG2 4.46Å; V145-V155 HydrophobicContact CG2-CG2 4.18Å; V145-L173 HydrophobicContact CG2-CD2 4.32Å; V145-L176 HydrophobicContact CB-CD1 4.48Å; V145-L176 HydrophobicContact CG1-CD1 4.36Å; V145-V178 HydrophobicContact CG1-CG2 3.89Å; V145-V178 HydrophobicContact CG2-CB 4.39Å; V145-V178 HydrophobicContact CG2-CG1 4.26Å; V145-V178 HydrophobicContact CG2-CG2 3.84Å
146N97.1Very high96.2Very high46 Ų4631.3 Ų31.325%0.24619%0.185CC..Hα-helixtrans-63.1-43.8178.1-69.7-28.9000112.4H104 E142 A143 C144 N149 L150H104-N146 PolarHBondContact CE1-ND2 3.33Å; H104-N146 PolarHBondContact NE2-ND2 3.39Å; H104-N146 VanDerWaalsContact NE2-ND2 3.15Å; E142-N146 PolarHBondContact O-N 2.98Å; E142-N146 PolarHBondContact O-ND2 3.45Å; A143-N146 PolarHBondContact O-N 3.33Å; C144-N146 VanDerWaalsContact C-N 3.27Å; C144-N146 PolarHBondContact O-N 3.4Å; N146-N149 PolarHBondContact O-N 3.2Å; N146-L150 WeakPolarHBondContact O-CG 3.24Å; N146-L150 PolarHBondContact O-N 3.48Å
147L97.3Very high96.5Very high0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-61.4-44.6175.5-75.6173.3000112.5I91 F102 H104 V115 M117 A143 C144 N149 L150I91-L147 HydrophobicContact CD1-CB 4.26Å; I91-L147 HydrophobicContact CD1-CD1 4.1Å; I91-L147 HydrophobicContact CG2-CD1 3.88Å; F102-L147 HydrophobicContact CB-CD2 3.64Å; F102-L147 WeakPolarHBondContact O-CD2 3.4Å; H104-L147 HydrophobicContact CB-CD1 4.35Å; H104-L147 HydrophobicContact CB-CD2 3.76Å; H104-L147 HydrophobicContact CB-CG 3.74Å; V115-L147 HydrophobicContact CB-CD1 4.12Å; V115-L147 HydrophobicContact CG2-CD1 3.66Å; M117-L147 HydrophobicContact CB-CB 4.21Å; M117-L147 HydrophobicContact CB-CD1 4.13Å; M117-L147 HydrophobicContact CB-CD2 4.46Å; M117-L147 HydrophobicContact CE-CB 4.42Å; M117-L147 WeakPolarHBondContact CE-O 3.23Å; M117-L147 HydrophobicContact SD-CB 4.35Å; A143-L147 WeakPolarHBondContact O-CG 3.46Å; A143-L147 PolarHBondContact O-N 2.97Å; A143-L147 VanDerWaalsContact O-N 3.08Å; C144-L147 PolarHBondContact O-N 3.16Å; L147-N149 VanDerWaalsContact C-N 3.33Å; L147-N149 PolarHBondContact O-N 2.58Å; L147-L150 HydrophobicContact CD2-CD1 4.45Å; L147-L150 WeakPolarHBondContact O-CB 3.45Å; L147-L150 PolarHBondContact O-N 3.47Å; L147-L150 VanDerWaalsContact O-N 3.17Å
148V98.1Very high96.8Very high0 Ų027.1 Ų27.10%016%0.156CC..Hα-helixtrans-62.1-40.8176.8167.60000111.4M117 I128 L130 C144 V145 L150 S151 A153 V155M117-V148 HydrophobicContact SD-CG2 4.24Å; I128-V148 HydrophobicContact CB-CG1 4.18Å; I128-V148 HydrophobicContact CG1-CG1 3.62Å; I128-V148 HydrophobicContact CG2-CG1 4.48Å; I128-V148 HydrophobicContact CG2-CG2 4.19Å; L130-V148 HydrophobicContact CD2-CG2 4.21Å; C144-V148 WeakPolarHBondContact O-CG2 3.44Å; C144-V148 PolarHBondContact O-N 3.25Å; V145-V148 PolarHBondContact O-N 2.99Å; V148-L150 PolarHBondContact O-N 3.33Å; V148-S151 PolarHBondContact O-N 3.12Å; V148-S151 VanDerWaalsContact O-N 3.11Å; V148-S151 PolarHBondContact O-OG 2.87Å; V148-A153 HydrophobicContact CG1-CB 3.96Å; V148-V155 HydrophobicContact CB-CG2 3.89Å; V148-V155 HydrophobicContact CG1-CG2 3.62Å; V148-V155 HydrophobicContact CG2-CG2 4.26Å
149N97.1Very high97Very high86 Ų8626.9 Ų26.946%0.4615%0.153SC..Hα-helixtrans-62.7-31.3177.1-70.6-21.8000112.1V145 N146 L147 S151 G152V145-N149 PolarHBondContact O-N 2.9Å; V145-N149 PolarHBondContact O-ND2 2.9Å; N146-N149 PolarHBondContact O-N 3.2Å; L147-N149 VanDerWaalsContact C-N 3.33Å; L147-N149 PolarHBondContact O-N 2.58Å; N149-S151 VanDerWaalsContact C-N 3.28Å; N149-S151 PolarHBondContact O-N 2.9Å; N149-G152 PolarHBondContact O-N 3.02Å; N149-G152 VanDerWaalsContact O-N 3.1Å
150L96.6Very high97.3Very high100 Ų10026.7 Ų26.752%0.52415%0.151SC..Hα-helixtrans-67.3-24.7176-66.7173.3000113.5F102 N146 L147 V148 G152F102-L150 HydrophobicContact CB-CD1 4.28Å; F102-L150 HydrophobicContact CD1-CB 3.86Å; F102-L150 HydrophobicContact CD1-CD1 4.16Å; F102-L150 HydrophobicContact CE1-CB 4.03Å; F102-L150 HydrophobicContact CG-CB 4.16Å; F102-L150 HydrophobicContact CG-CD1 4.47Å; F102-L150 HydrophobicContact CZ-CB 4.48Å; N146-L150 WeakPolarHBondContact O-CG 3.24Å; N146-L150 PolarHBondContact O-N 3.48Å; L147-L150 HydrophobicContact CD2-CD1 4.45Å; L147-L150 WeakPolarHBondContact O-CB 3.45Å; L147-L150 PolarHBondContact O-N 3.47Å; L147-L150 VanDerWaalsContact O-N 3.17Å; V148-L150 PolarHBondContact O-N 3.33Å; L150-G152 VanDerWaalsContact C-N 3.27Å
151S96.3Very high97.5Very high19 Ų1924.4 Ų24.413%0.13314%0.135CC..THydrogen-bonded Turntrans-82.7-3.6172.870.50000113.4I122 V148 N149 A153I122-S151 WeakPolarHBondContact CG2-OG 3.25Å; V148-S151 PolarHBondContact O-N 3.12Å; V148-S151 VanDerWaalsContact O-N 3.11Å; V148-S151 PolarHBondContact O-OG 2.87Å; N149-S151 VanDerWaalsContact C-N 3.28Å; N149-S151 PolarHBondContact O-N 2.9Å; S151-A153 PolarHBondContact O-N 2.72Å
152G97Very high97.5Very high43 Ų4324.1 Ų24.144%0.44313%0.133SC..THydrogen-bonded Turntrans75.37.3-174.700000114.1G125 N149 L150G125-G152 PolarHBondContact N-O 3.42Å; N149-G152 PolarHBondContact O-N 3.02Å; N149-G152 VanDerWaalsContact O-N 3.1Å; L150-G152 VanDerWaalsContact C-N 3.27Å
153A98.1Very high97.5Very high7 Ų722.3 Ų22.36%0.05813%0.125CC..  trans-81172.8170.900000111.3I122 D126 I128 V148 S151I122-A153 HydrophobicContact CG2-CB 3.35Å; D126-A153 HydrophobicContact CB-CB 4.07Å; D126-A153 WeakPolarHBondContact O-CB 3.32Å; I128-A153 HydrophobicContact CD1-CB 4.05Å; I128-A153 HydrophobicContact CG1-CB 3.85Å; V148-A153 HydrophobicContact CG1-CB 3.96Å; S151-A153 PolarHBondContact O-N 2.72Å
154K97.7Very high97.4Very high134 Ų13423.9 Ų23.958%0.58313%0.133SC*.EExtended strand (participates in β ladder)trans-125.9126.1-179.3-179.3176178.9175.10111D126 I128 L156D126-K154 PolarHBondContact O-N 3.46Å; I128-K154 PolarHBondContact N-O 2.83Å; K154-L156 PolarHBondContact O-N 2.83Å
155V98.5Very high97Very high7 Ų728.3 Ų28.34%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-69.2116.5166.2-175.50000109.5I128 L130 V145 V148 V178I128-V155 HydrophobicContact CB-CG2 4.5Å; L130-V155 HydrophobicContact CD1-CG1 3.93Å; L130-V155 HydrophobicContact CD1-CG2 4.12Å; L130-V155 HydrophobicContact CD2-CG2 4.41Å; L130-V155 HydrophobicContact CG-CG1 3.82Å; L130-V155 HydrophobicContact CG-CG2 4.17Å; V145-V155 HydrophobicContact CB-CG2 4.47Å; V145-V155 HydrophobicContact CG1-CG2 4.46Å; V145-V155 HydrophobicContact CG2-CG2 4.18Å; V148-V155 HydrophobicContact CB-CG2 3.89Å; V148-V155 HydrophobicContact CG1-CG2 3.62Å; V148-V155 HydrophobicContact CG2-CG2 4.26Å; V155-V178 HydrophobicContact CB-CG1 4.41Å; V155-V178 HydrophobicContact CB-CG2 4.15Å; V155-V178 HydrophobicContact CG1-CG1 3.57Å; V155-V178 HydrophobicContact CG1-CG2 4.21Å
156L98Very high96.5Very high10 Ų1034.3 Ų34.35%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-73.9-44.2174.2-75-172000111.6K61 I63 N127 I128 K154K61-L156 HydrophobicContact CB-CD1 3.75Å; K61-L156 HydrophobicContact CB-CD2 4.09Å; K61-L156 HydrophobicContact CG-CD2 3.93Å; I63-L156 HydrophobicContact CG1-CD1 4.39Å; N127-L156 HydrophobicContact CB-CD1 3.66Å; N127-L156 HydrophobicContact CB-CD2 4.21Å; N127-L156 HydrophobicContact CB-CG 3.73Å; N127-L156 WeakPolarHBondContact OD1-CD2 3.42Å; I128-L156 PolarHBondContact O-N 3.44Å; K154-L156 PolarHBondContact O-N 2.83Å
157F98.6Very high96.1Very high0 Ų035.2 Ų35.20%019%0.193CC..EExtended strand (participates in β ladder)trans-171.7165.1177.551.9-90.9000110.2E55 A56 K59 I63 L129 L130 P179 Y181E55-F157 HydrophobicContact CB-CD1 4.26Å; E55-F157 HydrophobicContact CB-CE1 3.84Å; E55-F157 HydrophobicContact CB-CE2 4.28Å; E55-F157 HydrophobicContact CB-CZ 3.86Å; A56-F157 HydrophobicContact CB-CE1 4.41Å; K59-F157 HydrophobicContact CD-CD1 4.15Å; I63-F157 HydrophobicContact CD1-CZ 4.05Å; L129-F157 HydrophobicContact CD1-CD2 3.49Å; L129-F157 VanDerWaalsContact CD1-CD2 3.49Å; L129-F157 HydrophobicContact CD1-CE2 3.32Å; L129-F157 HydrophobicContact CD1-CG 4.49Å; L129-F157 HydrophobicContact CD1-CZ 4.19Å; L129-F157 HydrophobicContact CD2-CE2 4.39Å; L129-F157 HydrophobicContact CG-CE2 4.39Å; L130-F157 PolarHBondContact N-O 2.98Å; F157-P179 CarbonylContact C-O 3.53Å; F157-P179 VanDerWaalsContact CA-O 3.29Å; F157-P179 WeakPolarHBondContact CA-O 3.42Å; F157-P179 HydrophobicContact CB-CB 4.11Å; F157-P179 WeakPolarHBondContact CB-O 3.28Å; F157-Y181 HydrophobicContact CB-CD2 3.88Å; F157-Y181 HydrophobicContact CB-CE2 3.55Å; F157-Y181 HydrophobicContact CD1-CE2 4.31Å; F157-Y181 AromaticContact CD2-CD2 3.7Å; F157-Y181 HydrophobicContact CD2-CD2 3.7Å; F157-Y181 AromaticContact CD2-CE2 3.92Å; F157-Y181 HydrophobicContact CD2-CE2 3.92Å; F157-Y181 HydrophobicContact CE2-CD2 4.46Å; F157-Y181 AromaticContact CG-CD2 3.95Å; F157-Y181 HydrophobicContact CG-CD2 3.95Å; F157-Y181 AromaticContact CG-CE2 3.69Å; F157-Y181 HydrophobicContact CG-CE2 3.69Å
158S98.4Very high95.7Very high0 Ų039.2 Ų39.20%022%0.221CC..EExtended strand (participates in β ladder)trans-103.8140.5169.2-56.20000109.7L130 V178 P179 V180 Y181L130-S158 WeakPolarHBondContact O-CA 3.49Å; S158-V178 WeakPolarHBondContact OG-CG1 3.29Å; S158-P179 PolarHBondContact N-O 3.2Å; S158-V180 WeakPolarHBondContact O-CA 3.46Å; S158-Y181 PolarHBondContact O-N 2.83Å
159L98.6Very high95.5Very high0 Ų039.4 Ų39.40%022%0.223CC..EExtended strand (participates in β ladder)trans-122.4126173.5178.557.2000108.8L48 V51 A52 L129 L130 L131 D132 Y181L48-L159 HydrophobicContact CB-CD2 4.15Å; L48-L159 HydrophobicContact CD2-CD1 4.19Å; L48-L159 HydrophobicContact CD2-CD2 3.72Å; L48-L159 HydrophobicContact CD2-CG 3.79Å; V51-L159 HydrophobicContact CB-CD1 4.24Å; V51-L159 HydrophobicContact CB-CD2 4.45Å; V51-L159 HydrophobicContact CG1-CD1 3.76Å; V51-L159 HydrophobicContact CG1-CD2 4.46Å; A52-L159 HydrophobicContact CB-CD2 4.39Å; L129-L159 HydrophobicContact CD1-CB 3.77Å; L130-L159 PolarHBondContact O-N 3.25Å; L131-L159 WeakPolarHBondContact CA-O 3.45Å; L131-L159 HydrophobicContact CD1-CB 4.13Å; L131-L159 HydrophobicContact CD1-CD2 4.19Å; L131-L159 HydrophobicContact CD1-CG 4.05Å; D132-L159 PolarHBondContact N-O 3.04Å; L159-Y181 CarbonylContact C-O 3.49Å; L159-Y181 WeakPolarHBondContact CA-O 3.08Å
160V98.3Very high95.5Very high0 Ų038.7 Ų38.70%021%0.214CC..EExtended strand (participates in β ladder)trans-123.9155.6175.5-63.70000111D132 L135 L141 M162 V180 Y181 S182 L183D132-V160 HydrophobicContact CB-CG1 4.38Å; D132-V160 VanDerWaalsContact O-CA 3.26Å; D132-V160 WeakPolarHBondContact O-CA 3.45Å; L135-V160 HydrophobicContact CB-CB 4.42Å; L135-V160 HydrophobicContact CB-CG1 4.11Å; L135-V160 HydrophobicContact CB-CG2 3.83Å; L141-V160 HydrophobicContact CD1-CG1 3.95Å; V160-M162 WeakPolarHBondContact CG2-O 3.4Å; V160-V180 HydrophobicContact CG2-CG1 4.5Å; V160-Y181 PolarHBondContact N-O 2.91Å; V160-S182 WeakPolarHBondContact O-CA 3.29Å; V160-L183 PolarHBondContact O-N 3.17Å
161Y97.7Very high95.4Very high2 Ų240.1 Ų40.11%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-72.2-48.2175.2-46.5-18.7000108.7F31 L44 L48 L76 L131 D132 D133 L183 F184F31-Y161 HydrophobicContact CD2-CD2 4.34Å; F31-Y161 HydrophobicContact CD2-CE2 4.26Å; F31-Y161 HydrophobicContact CE1-CE2 4.24Å; F31-Y161 HydrophobicContact CE2-CD2 4.24Å; F31-Y161 AromaticContact CE2-CE2 3.72Å; F31-Y161 HydrophobicContact CE2-CE2 3.72Å; F31-Y161 HydrophobicContact CZ-CD2 4.33Å; F31-Y161 AromaticContact CZ-CE2 3.7Å; F31-Y161 HydrophobicContact CZ-CE2 3.7Å; L44-Y161 HydrophobicContact CD1-CD1 4.4Å; L44-Y161 HydrophobicContact CD1-CG 4.39Å; L44-Y161 HydrophobicContact CD2-CD2 4.2Å; L44-Y161 HydrophobicContact CD2-CE2 4.34Å; L44-Y161 HydrophobicContact CD2-CG 4.48Å; L48-Y161 HydrophobicContact CD1-CD1 3.93Å; L48-Y161 HydrophobicContact CD1-CE1 3.4Å; L48-Y161 VanDerWaalsContact CD1-CE1 3.4Å; L48-Y161 HydrophobicContact CD2-CD1 3.65Å; L48-Y161 HydrophobicContact CD2-CE1 3.85Å; L48-Y161 HydrophobicContact CG-CD1 4.35Å; L48-Y161 HydrophobicContact CG-CE1 4.25Å; L76-Y161 WeakPolarHBondContact CB-OH 3.09Å; L76-Y161 HydrophobicContact CD1-CE2 4.36Å; L131-Y161 HydrophobicContact CD1-CE1 4.14Å; L131-Y161 HydrophobicContact CG-CE1 4.43Å; D132-Y161 PolarHBondContact O-N 3.11Å; D133-Y161 HydrophobicContact CB-CD2 3.63Å; D133-Y161 HydrophobicContact CB-CE2 3.75Å; D133-Y161 HydrophobicContact CB-CG 4.39Å; D133-Y161 WeakPolarHBondContact O-CA 3.39Å; D133-Y161 VanDerWaalsContact O-CB 3.32Å; D133-Y161 WeakPolarHBondContact O-CB 3.46Å; D133-Y161 PolarHBondContact O-N 2.72Å; D133-Y161 VanDerWaalsContact O-N 3.11Å; Y161-L183 WeakPolarHBondContact O-CB 3.44Å; Y161-L183 PolarHBondContact O-N 3.26Å; Y161-L183 VanDerWaalsContact O-N 3.1Å; Y161-F184 WeakPolarHBondContact O-CD2 3.46Å; Y161-F184 PolarHBondContact O-N 3.28Å
162M96.7Very high95.4Very high0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-126.5144.5-174.4-61.3168-83.300111.2I15 R29 F31 D133 V134 L135 V160 F184 I186I15-M162 HydrophobicContact CD1-CG 4.32Å; I15-M162 HydrophobicContact CD1-SD 3.88Å; I15-M162 HydrophobicContact CG2-SD 3.93Å; R29-M162 HydrophobicContact CB-CE 3.93Å; R29-M162 HydrophobicContact CB-SD 3.46Å; R29-M162 WeakPolarHBondContact CB-SD 3.34Å; R29-M162 HydrophobicContact CG-SD 4.05Å; F31-M162 HydrophobicContact CB-CE 4.41Å; D133-M162 PolarHBondContact O-N 3.09Å; V134-M162 CarbonylContact C-O 3.47Å; V134-M162 VanDerWaalsContact CA-O 3.28Å; V134-M162 WeakPolarHBondContact CA-O 3.46Å; V134-M162 HydrophobicContact CG2-CB 4.22Å; V134-M162 HydrophobicContact CG2-CE 3.61Å; V134-M162 HydrophobicContact CG2-SD 4.48Å; L135-M162 PolarHBondContact N-O 3.18Å; V160-M162 WeakPolarHBondContact CG2-O 3.4Å; M162-F184 CarbonylContact C-O 3.6Å; M162-F184 VanDerWaalsContact CA-O 3.3Å; M162-F184 WeakPolarHBondContact CA-O 3.4Å; M162-F184 HydrophobicContact CG-CB 4.13Å; M162-F184 HydrophobicContact CG-CD2 3.98Å; M162-F184 HydrophobicContact CG-CG 4.5Å; M162-I186 HydrophobicContact CB-CD1 4.01Å; M162-I186 HydrophobicContact CG-CD1 3.76Å; M162-I186 HydrophobicContact SD-CD1 3.82Å
163E96.6Very high95.4Very high12 Ų1241.7 Ų41.76%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-122130.3171.7174.5174.9179.200109.7L135 R170 S182 F184 N185 I186L135-E163 HydrophobicContact CB-CB 4.39Å; L135-E163 HydrophobicContact CB-CG 4.38Å; L135-E163 HydrophobicContact CD2-CG 4.02Å; L135-E163 HydrophobicContact CG-CG 4.38Å; E163-R170 VanDerWaalsContact OE1-CB 3.31Å; E163-R170 WeakPolarHBondContact OE1-CB 3.47Å; E163-R170 IonicContact OE1-CZ 3.74Å; E163-R170 IonicContact OE1-NE 3.78Å; E163-R170 PolarHBondContact OE1-NE 3.3Å; E163-R170 IonicContact OE1-NH2 3.73Å; E163-R170 IonicContact OE2-CZ 2.94Å; E163-R170 IonicContact OE2-NE 3.61Å; E163-R170 PolarHBondContact OE2-NE 2.9Å; E163-R170 IonicContact OE2-NH2 2.6Å; E163-R170 PolarHBondContact OE2-NH2 3.34Å; E163-S182 PolarHBondContact OE2-OG 3.38Å; E163-F184 PolarHBondContact N-O 3.48Å; E163-N185 PolarHBondContact OE2-OD1 3.16Å; E163-I186 PolarHBondContact O-N 3.37Å
164L94.2Very high95.3Very high33 Ų3345.9 Ų45.917%0.17322%0.224CC..  trans-89.4103.8173.7-57-177000109.2V134 L135 A136 N166 L167 I186V134-L164 HydrophobicContact CG1-CD1 4.16Å; V134-L164 HydrophobicContact CG1-CG 4.01Å; L135-L164 PolarHBondContact O-N 2.89Å; A136-L164 HydrophobicContact CB-CD1 4.09Å; L164-N166 PolarHBondContact O-N 3.14Å; L164-N166 VanDerWaalsContact O-N 3.12Å; L164-L167 HydrophobicContact CB-CD1 4.13Å; L164-L167 HydrophobicContact CB-CG 4.42Å; L164-L167 HydrophobicContact CD1-CD1 3.83Å; L164-L167 PolarHBondContact O-N 3.38Å; L164-I186 WeakPolarHBondContact CA-O 3.33Å; L164-I186 HydrophobicContact CD2-CB 4.29Å
165N88Confident95.3Very high93 Ų9345 Ų4550%0.49723%0.225SC..G310 helixtrans-63.4-24.6-169.7-67.2-41.1000113.7L167 I186N165-L167 VanDerWaalsContact C-N 3.34Å; N165-L167 PolarHBondContact O-N 2.9Å; N165-I186 PolarHBondContact N-O 3.03Å; N165-I186 PolarHBondContact ND2-O 3.48Å
166N87.5Confident95.2Very high129 Ų12947.4 Ų47.469%0.6924%0.238SC*.G310 helixtrans-84.5-1-173.964.7-25.6000114.5L164L164-N166 PolarHBondContact O-N 3.14Å; L164-N166 VanDerWaalsContact O-N 3.12Å
167L89Confident95.2Very high64 Ų6453.9 Ų53.934%0.33527%0.272SS..G310 helixtrans-111.55.7-173.3-64.1-179.5000114.9A136 T137 L164 N165 G169A136-L167 HydrophobicContact CB-CD1 3.74Å; A136-L167 WeakPolarHBondContact O-CB 3.38Å; T137-L167 HydrophobicContact CG2-CB 4.37Å; T137-L167 HydrophobicContact CG2-CD1 4.37Å; L164-L167 HydrophobicContact CB-CD1 4.13Å; L164-L167 HydrophobicContact CB-CG 4.42Å; L164-L167 HydrophobicContact CD1-CD1 3.83Å; L164-L167 PolarHBondContact O-N 3.38Å; N165-L167 VanDerWaalsContact C-N 3.34Å; N165-L167 PolarHBondContact O-N 2.9Å; L167-G169 PolarHBondContact O-N 3Å
168S88.9Confident95.1Very high85 Ų8554.1 Ų54.159%0.59427%0.274SS*.  trans54.920.3175.9-56.20000115.3R170 K171 R172S168-R170 VanDerWaalsContact C-N 3.28Å; S168-R170 PolarHBondContact O-N 3.09Å; S168-K171 PolarHBondContact O-N 2.98Å; S168-R172 PolarHBondContact O-N 2.86Å
169G93.8Very high95.1Very high3 Ų356 Ų563%0.03129%0.286CS..Hα-helixtrans-64.1-32.1-177.400000113.7A136 T137 L167 R172 L173A136-G169 VanDerWaalsContact O-CA 3.24Å; A136-G169 WeakPolarHBondContact O-CA 3.45Å; A136-G169 PolarHBondContact O-N 3.28Å; T137-G169 VanDerWaalsContact C-CA 3.45Å; T137-G169 WeakPolarHBondContact O-CA 3.21Å; L167-G169 PolarHBondContact O-N 3Å; G169-R172 WeakPolarHBondContact O-CB 3.37Å; G169-R172 PolarHBondContact O-N 2.91Å; G169-L173 PolarHBondContact O-N 3.07Å
170R96.5Very high95.1Very high72 Ų7256.2 Ų56.227%0.27229%0.287SS..Hα-helixtrans-60.5-49.7176.3167.6178.9-66.3-77.6-4.9111.7L135 E163 S168 R172 L173 E174 V180L135-R170 HydrophobicContact CD2-CB 4.21Å; E163-R170 VanDerWaalsContact OE1-CB 3.31Å; E163-R170 WeakPolarHBondContact OE1-CB 3.47Å; E163-R170 IonicContact OE1-CZ 3.74Å; E163-R170 IonicContact OE1-NE 3.78Å; E163-R170 PolarHBondContact OE1-NE 3.3Å; E163-R170 IonicContact OE1-NH2 3.73Å; E163-R170 IonicContact OE2-CZ 2.94Å; E163-R170 IonicContact OE2-NE 3.61Å; E163-R170 PolarHBondContact OE2-NE 2.9Å; E163-R170 IonicContact OE2-NH2 2.6Å; E163-R170 PolarHBondContact OE2-NH2 3.34Å; S168-R170 VanDerWaalsContact C-N 3.28Å; S168-R170 PolarHBondContact O-N 3.09Å; R170-R172 PolarHBondContact O-N 3.25Å; R170-L173 PolarHBondContact O-N 3.32Å; R170-E174 WeakPolarHBondContact CD-OE1 3.49Å; R170-E174 VanDerWaalsContact CG-CD 3.49Å; R170-E174 HydrophobicContact CG-CG 4.21Å; R170-E174 WeakPolarHBondContact CG-OE1 3.35Å; R170-E174 IonicContact NH1-OE1 3.66Å; R170-E174 WeakPolarHBondContact O-CG 3.44Å; R170-E174 PolarHBondContact O-N 3.42Å; R170-V180 PolarHBondContact NH1-O 3.44Å; R170-V180 PolarHBondContact NH2-O 2.78Å; R170-V180 VanDerWaalsContact NH2-O 3.11Å
171K95.9Very high95.1Very high130 Ų13058.8 Ų58.857%0.56530%0.297SS*.Hα-helixtrans-54.7-43.5178.9-177.2-179.9176.9-177.20111.1S168 L173 E174 D175S168-K171 PolarHBondContact O-N 2.98Å; K171-L173 VanDerWaalsContact C-N 3.28Å; K171-L173 PolarHBondContact O-N 2.96Å; K171-E174 PolarHBondContact O-N 3.04Å; K171-D175 WeakPolarHBondContact O-CB 3.27Å; K171-D175 PolarHBondContact O-N 3.02Å
172R95.6Very high95Very high95 Ų9560 Ų6036%0.35831%0.306SS..Hα-helixtrans-58-38.3178.2-177.4177.9-71.9-149.37.1112.9T137 E142 S168 G169 R170 L176T137-R172 WeakPolarHBondContact O-CD 3.39Å; T137-R172 PolarHBondContact O-NE 3.46Å; E142-R172 HydrophobicContact CB-CG 4.49Å; E142-R172 WeakPolarHBondContact OE2-CD 3.22Å; E142-R172 IonicContact OE2-CZ 2.65Å; E142-R172 IonicContact OE2-NE 3.44Å; E142-R172 IonicContact OE2-NH1 3.64Å; E142-R172 PolarHBondContact OE2-NH1 2.73Å; S168-R172 PolarHBondContact O-N 2.86Å; G169-R172 WeakPolarHBondContact O-CB 3.37Å; G169-R172 PolarHBondContact O-N 2.91Å; R170-R172 PolarHBondContact O-N 3.25Å; R172-L176 WeakPolarHBondContact O-CG 3.47Å
173L97.3Very high95.1Very high0 Ų061 Ų610%031%0.311CS..Hα-helixtrans-79.9-34.7177.8-65178.9000112.5L135 L141 E142 V145 G169 R170 K171 D175 L176 N177 V178 V180L135-L173 HydrophobicContact CD1-CD1 4.19Å; L141-L173 HydrophobicContact CB-CD1 3.74Å; L141-L173 HydrophobicContact CB-CD2 3.79Å; L141-L173 HydrophobicContact CB-CG 4.35Å; L141-L173 HydrophobicContact CD1-CD1 3.75Å; L141-L173 HydrophobicContact CG-CD1 4.33Å; E142-L173 HydrophobicContact CB-CD2 4.43Å; V145-L173 HydrophobicContact CG2-CD2 4.32Å; G169-L173 PolarHBondContact O-N 3.07Å; R170-L173 PolarHBondContact O-N 3.32Å; K171-L173 VanDerWaalsContact C-N 3.28Å; K171-L173 PolarHBondContact O-N 2.96Å; L173-D175 VanDerWaalsContact C-N 3.32Å; L173-D175 PolarHBondContact O-N 3.15Å; L173-L176 HydrophobicContact CD2-CD1 4.42Å; L173-L176 CarbonylContact O-C 3.59Å; L173-L176 WeakPolarHBondContact O-CA 3.29Å; L173-L176 WeakPolarHBondContact O-CB 3.22Å; L173-L176 PolarHBondContact O-N 2.86Å; L173-N177 PolarHBondContact O-N 2.98Å; L173-V178 CarbonylContact C-O 3.31Å; L173-V178 HydrophobicContact CB-CB 4.41Å; L173-V178 PolarHBondContact O-N 3.5Å; L173-V180 HydrophobicContact CB-CG2 3.57Å; L173-V180 HydrophobicContact CD1-CG2 3.42Å; L173-V180 VanDerWaalsContact CD1-CG2 3.42Å; L173-V180 HydrophobicContact CG-CG2 4.09Å
174E96.2Very high95.1Very high94 Ų9460.8 Ų60.844%0.43931%0.31SS..Hα-helixtrans-63.3-38.3173.6-71.9172173.900111.9R170 K171 L176 N177R170-E174 WeakPolarHBondContact CD-OE1 3.49Å; R170-E174 VanDerWaalsContact CG-CD 3.49Å; R170-E174 HydrophobicContact CG-CG 4.21Å; R170-E174 WeakPolarHBondContact CG-OE1 3.35Å; R170-E174 IonicContact NH1-OE1 3.66Å; R170-E174 WeakPolarHBondContact O-CG 3.44Å; R170-E174 PolarHBondContact O-N 3.42Å; K171-E174 PolarHBondContact O-N 3.04Å; E174-L176 PolarHBondContact O-N 2.82Å; E174-N177 WeakPolarHBondContact O-CA 3.45Å; E174-N177 PolarHBondContact O-N 2.77Å
175D97.1Very high95Very high115 Ų11563.9 Ų63.962%0.61533%0.327SS*.THydrogen-bonded Turntrans-61.6-24.1173.2-69.3-21.9000112.1K171 L173 N177K171-D175 WeakPolarHBondContact O-CB 3.27Å; K171-D175 PolarHBondContact O-N 3.02Å; L173-D175 VanDerWaalsContact C-N 3.32Å; L173-D175 PolarHBondContact O-N 3.15Å; D175-N177 VanDerWaalsContact C-N 3.34Å
176L96.7Very high95Very high58 Ų5862.5 Ų62.530%0.30432%0.319SS..THydrogen-bonded Turntrans-90.87.3172.4-60.1173.1000113.2E142 V145 R172 L173 E174 V178E142-L176 HydrophobicContact CB-CD1 3.93Å; E142-L176 HydrophobicContact CG-CD1 3.84Å; V145-L176 HydrophobicContact CB-CD1 4.48Å; V145-L176 HydrophobicContact CG1-CD1 4.36Å; R172-L176 WeakPolarHBondContact O-CG 3.47Å; L173-L176 HydrophobicContact CD2-CD1 4.42Å; L173-L176 CarbonylContact O-C 3.59Å; L173-L176 WeakPolarHBondContact O-CA 3.29Å; L173-L176 WeakPolarHBondContact O-CB 3.22Å; L173-L176 PolarHBondContact O-N 2.86Å; E174-L176 PolarHBondContact O-N 2.82Å; L176-V178 HydrophobicContact CB-CG2 4.34Å; L176-V178 PolarHBondContact O-N 2.84Å
177N97.2Very high95.4Very high146 Ų14659.2 Ų59.278%0.78130%0.3SS*.THydrogen-bonded Turntrans58.331.2-172.5-58.6-77.8000113.9L173 E174 D175 P179L173-N177 PolarHBondContact O-N 2.98Å; E174-N177 WeakPolarHBondContact O-CA 3.45Å; E174-N177 PolarHBondContact O-N 2.77Å; D175-N177 VanDerWaalsContact C-N 3.34Å; N177-P179 WeakPolarHBondContact O-CD 3.5Å
178V98Very high95.7Very high6 Ų658.9 Ų58.94%0.03630%0.299CS..  trans-109.6104.2177.5177.60000109.6V145 V155 S158 L173 L176V145-V178 HydrophobicContact CG1-CG2 3.89Å; V145-V178 HydrophobicContact CG2-CB 4.39Å; V145-V178 HydrophobicContact CG2-CG1 4.26Å; V145-V178 HydrophobicContact CG2-CG2 3.84Å; V155-V178 HydrophobicContact CB-CG1 4.41Å; V155-V178 HydrophobicContact CB-CG2 4.15Å; V155-V178 HydrophobicContact CG1-CG1 3.57Å; V155-V178 HydrophobicContact CG1-CG2 4.21Å; S158-V178 WeakPolarHBondContact OG-CG1 3.29Å; L173-V178 CarbonylContact C-O 3.31Å; L173-V178 HydrophobicContact CB-CB 4.41Å; L173-V178 PolarHBondContact O-N 3.5Å; L176-V178 HydrophobicContact CB-CG2 4.34Å; L176-V178 PolarHBondContact O-N 2.84Å
179P97.8Very high96.1Very high38 Ų3857.5 Ų57.525%0.24728%0.282CS..  trans-60.6145.5175.8-22.133.2000111.8F157 S158 N177 Y181F157-P179 CarbonylContact C-O 3.53Å; F157-P179 VanDerWaalsContact CA-O 3.29Å; F157-P179 WeakPolarHBondContact CA-O 3.42Å; F157-P179 HydrophobicContact CB-CB 4.11Å; F157-P179 WeakPolarHBondContact CB-O 3.28Å; S158-P179 PolarHBondContact N-O 3.2Å; N177-P179 WeakPolarHBondContact O-CD 3.5Å; P179-Y181 HydrophobicContact CB-CE2 3.97Å
180V97.7Very high96.2Very high5 Ų560.7 Ų60.73%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-119.5131.5178.3-172.50000110.1L135 S158 V160 R170 L173L135-V180 HydrophobicContact CD2-CB 4.44Å; L135-V180 HydrophobicContact CD2-CG1 3.54Å; L135-V180 HydrophobicContact CD2-CG2 4.42Å; S158-V180 WeakPolarHBondContact O-CA 3.46Å; V160-V180 HydrophobicContact CG2-CG1 4.5Å; R170-V180 PolarHBondContact NH1-O 3.44Å; R170-V180 PolarHBondContact NH2-O 2.78Å; R170-V180 VanDerWaalsContact NH2-O 3.11Å; L173-V180 HydrophobicContact CB-CG2 3.57Å; L173-V180 HydrophobicContact CD1-CG2 3.42Å; L173-V180 VanDerWaalsContact CD1-CG2 3.42Å; L173-V180 HydrophobicContact CG-CG2 4.09Å
181Y98.1Very high96.2Very high55 Ų5560 Ų6022%0.21630%0.299CS..EExtended strand (participates in β ladder)trans-118.4137170.7-55.3-84.4000109.8V51 E55 F157 S158 L159 V160 P179V51-Y181 HydrophobicContact CG1-CG 4.19Å; E55-Y181 HydrophobicContact CB-CE2 3.96Å; E55-Y181 HydrophobicContact CG-CD1 3.9Å; E55-Y181 HydrophobicContact CG-CD2 4Å; E55-Y181 HydrophobicContact CG-CE1 3.54Å; E55-Y181 HydrophobicContact CG-CE2 3.67Å; E55-Y181 HydrophobicContact CG-CG 4.1Å; E55-Y181 VanDerWaalsContact CG-CZ 3.41Å; E55-Y181 VanDerWaalsContact OE2-CE1 3.25Å; E55-Y181 WeakPolarHBondContact OE2-CE1 3.44Å; E55-Y181 PolarHBondContact OE2-OH 2.72Å; F157-Y181 HydrophobicContact CB-CD2 3.88Å; F157-Y181 HydrophobicContact CB-CE2 3.55Å; F157-Y181 HydrophobicContact CD1-CE2 4.31Å; F157-Y181 AromaticContact CD2-CD2 3.7Å; F157-Y181 HydrophobicContact CD2-CD2 3.7Å; F157-Y181 AromaticContact CD2-CE2 3.92Å; F157-Y181 HydrophobicContact CD2-CE2 3.92Å; F157-Y181 HydrophobicContact CE2-CD2 4.46Å; F157-Y181 AromaticContact CG-CD2 3.95Å; F157-Y181 HydrophobicContact CG-CD2 3.95Å; F157-Y181 AromaticContact CG-CE2 3.69Å; F157-Y181 HydrophobicContact CG-CE2 3.69Å; S158-Y181 PolarHBondContact O-N 2.83Å; L159-Y181 CarbonylContact C-O 3.49Å; L159-Y181 WeakPolarHBondContact CA-O 3.08Å; V160-Y181 PolarHBondContact N-O 2.91Å; P179-Y181 HydrophobicContact CB-CE2 3.97Å
182S97.5Very high96.2Very high27 Ų2755.3 Ų55.319%0.18928%0.281CS..EExtended strand (participates in β ladder)trans-129.4145.6179.351.50000109.2V160 E163 N185V160-S182 WeakPolarHBondContact O-CA 3.29Å; E163-S182 PolarHBondContact OE2-OG 3.38Å; S182-N185 PolarHBondContact OG-OD1 2.95Å
183L97.5Very high96.3Very high20 Ų2052.5 Ų52.511%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-84.7-35.6174.4-60.5-177.9000111.7L8 L44 E47 L48 V51 V160 Y161L8-L183 HydrophobicContact CD2-CB 4.46Å; L44-L183 HydrophobicContact CD1-CD1 3.47Å; L44-L183 VanDerWaalsContact CD1-CD1 3.47Å; E47-L183 HydrophobicContact CB-CD1 3.96Å; E47-L183 HydrophobicContact CB-CD2 4.16Å; L48-L183 HydrophobicContact CD2-CD1 3.71Å; L48-L183 HydrophobicContact CD2-CG 4.24Å; L48-L183 HydrophobicContact CG-CD1 4.08Å; V51-L183 HydrophobicContact CG2-CD2 3.84Å; V160-L183 PolarHBondContact O-N 3.17Å; Y161-L183 WeakPolarHBondContact O-CB 3.44Å; Y161-L183 PolarHBondContact O-N 3.26Å; Y161-L183 VanDerWaalsContact O-N 3.1Å
184F96Very high96.2Very high9 Ų956.5 Ų56.54%0.03930%0.296CS..EExtended strand (participates in β ladder)trans-126.4131.2-179.2-48.4-71.4000109.9L8 I11 E12 I15 Y161 M162 E163 I186L8-F184 HydrophobicContact CB-CE1 4.19Å; L8-F184 HydrophobicContact CD2-CE1 4Å; L8-F184 HydrophobicContact CD2-CZ 4.03Å; L8-F184 WeakPolarHBondContact O-CE1 3.34Å; I11-F184 HydrophobicContact CB-CZ 3.83Å; I11-F184 HydrophobicContact CD1-CZ 4.44Å; I11-F184 HydrophobicContact CG2-CE2 3.8Å; I11-F184 HydrophobicContact CG2-CZ 3.51Å; E12-F184 HydrophobicContact CB-CD1 4.11Å; E12-F184 HydrophobicContact CB-CE1 3.91Å; E12-F184 HydrophobicContact CG-CD1 4.33Å; I15-F184 HydrophobicContact CD1-CD2 4.07Å; I15-F184 HydrophobicContact CD1-CE2 4.15Å; Y161-F184 WeakPolarHBondContact O-CD2 3.46Å; Y161-F184 PolarHBondContact O-N 3.28Å; M162-F184 CarbonylContact C-O 3.6Å; M162-F184 VanDerWaalsContact CA-O 3.3Å; M162-F184 WeakPolarHBondContact CA-O 3.4Å; M162-F184 HydrophobicContact CG-CB 4.13Å; M162-F184 HydrophobicContact CG-CD2 3.98Å; M162-F184 HydrophobicContact CG-CG 4.5Å; E163-F184 PolarHBondContact N-O 3.48Å; F184-I186 HydrophobicContact CB-CD1 4.34Å; F184-I186 HydrophobicContact CB-CG1 4.27Å
185N93Very high96.2Very high97 Ų9753.4 Ų53.452%0.51928%0.284SS..EExtended strand (participates in β ladder)trans-104.8124.5170.9-65.6-49.3000108E163 S182E163-N185 PolarHBondContact OE2-OD1 3.16Å; S182-N185 PolarHBondContact OG-OD1 2.95Å
186I87.9Confident96.1Very high65 Ų6547.8 Ų47.833%0.33325%0.254SS..  trans-128.30-170.8-51.2-179.9000110.7R29 M162 E163 L164 N165 F184R29-I186 HydrophobicContact CG-CD1 4.36Å; M162-I186 HydrophobicContact CB-CD1 4.01Å; M162-I186 HydrophobicContact CG-CD1 3.76Å; M162-I186 HydrophobicContact SD-CD1 3.82Å; E163-I186 PolarHBondContact O-N 3.37Å; L164-I186 WeakPolarHBondContact CA-O 3.33Å; L164-I186 HydrophobicContact CD2-CB 4.29Å; N165-I186 PolarHBondContact N-O 3.03Å; N165-I186 PolarHBondContact ND2-O 3.48Å; F184-I186 HydrophobicContact CB-CD1 4.34Å; F184-I186 HydrophobicContact CB-CG1 4.27Å

Retrieved 186 of 186 residues in 46.6 ms (Link to these results)

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