A0A077ZDP8_TRITR Loading...

Proteasome subunit alpha type

The proteasome is a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession A0A077ZDP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 246 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
1M51.4Low78.5Confident214 Ų21491.1 Ų91.1100%1.05451%0.507SS*.  0100.60-70.3-101-97.600107.1R3M1-R3 PolarHBondContact O-N 3.01Å
2S62.7Low79.7Confident55 Ų5592.7 Ų92.739%0.38551%0.508SS..  trans-56.7131.4164.828.20000108T5 E19S2-T5 WeakPolarHBondContact CB-OG1 3.31Å; S2-E19 VanDerWaalsContact O-OE1 3.12Å; S2-E19 WeakPolarHBondContact OG-CG 3.31Å
3R68.9Low80.8Confident216 Ų21690.2 Ų90.282%0.81549%0.493SS*.  trans-127.7110.8175.3-74.8-169.6-176.8179.62.8109.1M1 T5 E19M1-R3 PolarHBondContact O-N 3.01Å; R3-T5 VanDerWaalsContact C-N 3.27Å; R3-T5 PolarHBondContact O-N 3.11Å; R3-E19 WeakPolarHBondContact CA-OE1 3.21Å; R3-E19 PolarHBondContact N-OE1 2.65Å
4G69.3Low81.8Confident41 Ų4184.6 Ų84.642%0.42346%0.463SS..SBendtrans68.313.1-179.300000115.9S6 R11 E19G4-S6 PolarHBondContact O-N 2.84Å; G4-R11 PolarHBondContact O-NH2 3.31Å; G4-R11 VanDerWaalsContact O-NH2 3.1Å; G4-E19 WeakPolarHBondContact CA-OE1 3.34Å; G4-E19 PolarHBondContact N-OE1 3.03Å
5T76.3Confident82.7Confident62 Ų6283.5 Ų83.538%0.3846%0.455SS..  trans-72.6126.8-175.356.50000110.4S2 R3 E19S2-T5 WeakPolarHBondContact CB-OG1 3.31Å; R3-T5 VanDerWaalsContact C-N 3.27Å; R3-T5 PolarHBondContact O-N 3.11Å; T5-E19 PolarHBondContact N-OE1 3.39Å
6S82.7Confident83.5Confident63 Ų6387.8 Ų87.844%0.44147%0.468SS..  trans-94.8139.7172.4-164.30000109.1G4 D10 R11G4-S6 PolarHBondContact O-N 2.84Å; S6-D10 WeakPolarHBondContact CA-OD2 3.22Å; S6-D10 PolarHBondContact OG-OD1 3.23Å; S6-R11 WeakPolarHBondContact OG-CD 3.4Å; S6-R11 PolarHBondContact OG-NE 2.86Å
7A84Confident84.1Confident51 Ų5183 Ų8342%0.42144%0.444SS..  trans-131.6129.117100000110.5F9 D10 P18A7-F9 PolarHBondContact O-N 3.41Å; A7-D10 PolarHBondContact N-OD1 2.99Å; A7-D10 PolarHBondContact N-OD2 2.84Å; A7-D10 WeakPolarHBondContact O-CB 3.09Å; A7-D10 VanDerWaalsContact O-CG 3.25Å; A7-D10 PolarHBondContact O-N 2.96Å; A7-P18 HydrophobicContact CB-CG 3.62Å
8G90.7Very high84.7Confident68 Ų6882.4 Ų82.470%0.70145%0.445SS*.THydrogen-bonded Turntrans59.8-121.317800000112.6
9F92.6Very high85.1Confident142 Ų14281 Ų8162%0.62344%0.435SS*.THydrogen-bonded Turntrans-107.320-175.6-60.4-73.8000113.8A7 R11 Q12 I13 I15A7-F9 PolarHBondContact O-N 3.41Å; F9-R11 PolarHBondContact O-N 3.14Å; F9-R11 VanDerWaalsContact O-N 3.07Å; F9-Q12 VanDerWaalsContact C-OE1 3.22Å; F9-Q12 VanDerWaalsContact CA-OE1 3.23Å; F9-Q12 PolarHBondContact O-N 3.41Å; F9-Q12 PolarHBondContact O-OE1 2.97Å; F9-I13 HydrophobicContact CB-CD1 4.22Å; F9-I13 HydrophobicContact CB-CG1 4.01Å; F9-I13 WeakPolarHBondContact O-CG1 3.36Å; F9-I13 PolarHBondContact O-N 3.09Å; F9-I13 VanDerWaalsContact O-N 3.09Å; F9-I15 HydrophobicContact CB-CD1 4.47Å
10D92.6Very high85.5Confident0 Ų079.5 Ų79.50%044%0.44CS..THydrogen-bonded Turntrans-61.7-16.8-175.167.1-3.8000115.1S6 A7 I15 S17 P18 Y23S6-D10 WeakPolarHBondContact CA-OD2 3.22Å; S6-D10 PolarHBondContact OG-OD1 3.23Å; A7-D10 PolarHBondContact N-OD1 2.99Å; A7-D10 PolarHBondContact N-OD2 2.84Å; A7-D10 WeakPolarHBondContact O-CB 3.09Å; A7-D10 VanDerWaalsContact O-CG 3.25Å; A7-D10 PolarHBondContact O-N 2.96Å; D10-I15 HydrophobicContact CB-CD1 4.43Å; D10-I15 HydrophobicContact CB-CG1 4.08Å; D10-S17 WeakPolarHBondContact OD2-CA 3.35Å; D10-S17 WeakPolarHBondContact OD2-CB 3.3Å; D10-P18 WeakPolarHBondContact OD2-CD 3.49Å; D10-Y23 WeakPolarHBondContact O-CD2 3.46Å
11R92.2Very high86Confident90 Ų9080.4 Ų80.434%0.3444%0.437SS..THydrogen-bonded Turntrans-96-13174.5-70.8179.3-176.6-113.25.4113.6G4 S6 F9 Y23 Q24G4-R11 PolarHBondContact O-NH2 3.31Å; G4-R11 VanDerWaalsContact O-NH2 3.1Å; S6-R11 WeakPolarHBondContact OG-CD 3.4Å; S6-R11 PolarHBondContact OG-NE 2.86Å; F9-R11 PolarHBondContact O-N 3.14Å; F9-R11 VanDerWaalsContact O-N 3.07Å; R11-Y23 HydrophobicContact CG-CD2 3.62Å; R11-Y23 HydrophobicContact CG-CE2 4.15Å; R11-Y23 HydrophobicContact CG-CG 4.15Å; R11-Q24 PolarHBondContact O-NE2 2.93Å
12Q92.8Very high88.1Confident110 Ų11072.1 Ų72.151%0.51440%0.396SS..THydrogen-bonded Turntrans-104.2-36.1-174.1-67.482.2-4.800112.1F9 Q24F9-Q12 VanDerWaalsContact C-OE1 3.22Å; F9-Q12 VanDerWaalsContact CA-OE1 3.23Å; F9-Q12 PolarHBondContact O-N 3.41Å; F9-Q12 PolarHBondContact O-OE1 2.97Å; Q12-Q24 PolarHBondContact O-NE2 2.83Å
13I94.6Very high89.7Confident60 Ų6069.9 Ų69.931%0.30838%0.38SS..SBendtrans-125.7170.7-179.659.7170.8000111F9 I15 A129F9-I13 HydrophobicContact CB-CD1 4.22Å; F9-I13 HydrophobicContact CB-CG1 4.01Å; F9-I13 WeakPolarHBondContact O-CG1 3.36Å; F9-I13 PolarHBondContact O-N 3.09Å; F9-I13 VanDerWaalsContact O-N 3.09Å; I13-I15 HydrophobicContact CD1-CD1 4.3Å; I13-I15 HydrophobicContact CD1-CG1 4.48Å; I13-I15 HydrophobicContact CD1-CG2 3.8Å; I13-I15 HydrophobicContact CG1-CD1 4.27Å; I13-I15 HydrophobicContact CG1-CG1 4.09Å; I13-I15 HydrophobicContact CG1-CG2 4.03Å; I13-I15 PolarHBondContact O-N 3.16Å; I13-A129 HydrophobicContact CB-CB 4.32Å; I13-A129 HydrophobicContact CD1-CB 4.26Å
14T94.7Very high91Very high13 Ų1361.5 Ų61.58%0.0835%0.35CS..SBendtrans-80.255.3-176.344.90000112.8Q24 T126 N128 A129 P133T14-Q24 HydrophobicContact CG2-CB 3.91Å; T14-T126 WeakPolarHBondContact CB-O 3.32Å; T14-N128 PolarHBondContact OG1-O 3.13Å; T14-N128 VanDerWaalsContact OG1-O 3.05Å; T14-A129 WeakPolarHBondContact OG1-CA 3.35Å; T14-P133 HydrophobicContact CG2-CG 4.36Å
15I95.2Very high92.3Very high67 Ų6760.2 Ų60.234%0.34433%0.334SS..  trans-110.2157.2171.567176.4000111F9 D10 I13 L22F9-I15 HydrophobicContact CB-CD1 4.47Å; D10-I15 HydrophobicContact CB-CD1 4.43Å; D10-I15 HydrophobicContact CB-CG1 4.08Å; I13-I15 HydrophobicContact CD1-CD1 4.3Å; I13-I15 HydrophobicContact CD1-CG1 4.48Å; I13-I15 HydrophobicContact CD1-CG2 3.8Å; I13-I15 HydrophobicContact CG1-CD1 4.27Å; I13-I15 HydrophobicContact CG1-CG1 4.09Å; I13-I15 HydrophobicContact CG1-CG2 4.03Å; I13-I15 PolarHBondContact O-N 3.16Å; I15-L22 WeakPolarHBondContact O-CD2 3.44Å
16F95.8Very high93.3Very high152 Ų15260 Ų6067%0.66733%0.328SS*.  trans-67.3135.1177.7-69.7-69.3000111.9L22F16-L22 HydrophobicContact CD1-CD2 3.8Å; F16-L22 HydrophobicContact CD1-CG 4.22Å; F16-L22 HydrophobicContact CE1-CD1 4.48Å; F16-L22 HydrophobicContact CE1-CD2 4.01Å; F16-L22 HydrophobicContact CE1-CG 4.13Å; F16-L22 HydrophobicContact CG-CD2 4.25Å
17S94.1Very high94Very high7 Ų760.6 Ų60.65%0.04932%0.322CS..  trans-71.8166.116378.10000111.1D10 E19 G20 R21 Y23D10-S17 WeakPolarHBondContact OD2-CA 3.35Å; D10-S17 WeakPolarHBondContact OD2-CB 3.3Å; S17-E19 PolarHBondContact O-N 3.33Å; S17-E19 PolarHBondContact OG-N 3.46Å; S17-G20 PolarHBondContact O-N 2.93Å; S17-R21 PolarHBondContact N-O 3.31Å; S17-R21 PolarHBondContact OG-N 2.87Å; S17-Y23 VanDerWaalsContact CB-CE2 3.42Å
18P93.6Very high94.6Very high73 Ų7358.6 Ų58.647%0.47431%0.305SS..THydrogen-bonded Turntrans-57-14.6171.9-25.635.1000114.7A7 D10A7-P18 HydrophobicContact CB-CG 3.62Å; D10-P18 WeakPolarHBondContact OD2-CD 3.49Å
19E93Very high94.9Very high55 Ų5558 Ų5826%0.25728%0.283SS..THydrogen-bonded Turntrans-94.8-0.5176.4-69.7166-157.700113.1S2 R3 G4 T5 S17 R21S2-E19 VanDerWaalsContact O-OE1 3.12Å; S2-E19 WeakPolarHBondContact OG-CG 3.31Å; R3-E19 WeakPolarHBondContact CA-OE1 3.21Å; R3-E19 PolarHBondContact N-OE1 2.65Å; G4-E19 WeakPolarHBondContact CA-OE1 3.34Å; G4-E19 PolarHBondContact N-OE1 3.03Å; T5-E19 PolarHBondContact N-OE1 3.39Å; S17-E19 PolarHBondContact O-N 3.33Å; S17-E19 PolarHBondContact OG-N 3.46Å; E19-R21 HydrophobicContact CB-CG 4.22Å; E19-R21 IonicContact OE2-NH1 3.71Å
20G93.6Very high95Very high51 Ų5157.5 Ų57.553%0.52628%0.281SS..SBendtrans76.922.1-175.500000114S17S17-G20 PolarHBondContact O-N 2.93Å
21R94.7Very high95.2Very high98 Ų9858.5 Ų58.537%0.3729%0.289SS..  trans-100.5155.2-179.8-61.317264.4178.74.9111.4S17 E19 E26S17-R21 PolarHBondContact N-O 3.31Å; S17-R21 PolarHBondContact OG-N 2.87Å; E19-R21 HydrophobicContact CB-CG 4.22Å; E19-R21 IonicContact OE2-NH1 3.71Å; R21-E26 IonicContact CZ-OE1 3.15Å; R21-E26 IonicContact CZ-OE2 3.66Å; R21-E26 IonicContact NE-OE1 2.74Å; R21-E26 PolarHBondContact NE-OE1 2.62Å; R21-E26 IonicContact NE-OE2 3.97Å; R21-E26 IonicContact NH2-OE1 2.77Å; R21-E26 PolarHBondContact NH2-OE1 3.11Å; R21-E26 IonicContact NH2-OE2 2.71Å; R21-E26 PolarHBondContact NH2-OE2 2.7Å
22L96Very high95.3Very high40 Ų4054.2 Ų54.221%0.20927%0.273CS..  trans-112.194.6172.2-64.3178.1000109.5I15 F16 Q24 V25 E26I15-L22 WeakPolarHBondContact O-CD2 3.44Å; F16-L22 HydrophobicContact CD1-CD2 3.8Å; F16-L22 HydrophobicContact CD1-CG 4.22Å; F16-L22 HydrophobicContact CE1-CD1 4.48Å; F16-L22 HydrophobicContact CE1-CD2 4.01Å; F16-L22 HydrophobicContact CE1-CG 4.13Å; F16-L22 HydrophobicContact CG-CD2 4.25Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.43Å; L22-V25 HydrophobicContact CB-CB 4.18Å; L22-V25 HydrophobicContact CB-CG2 3.91Å; L22-V25 HydrophobicContact CD1-CG2 4.17Å; L22-V25 PolarHBondContact O-N 2.94Å; L22-V25 VanDerWaalsContact O-N 3.16Å; L22-E26 PolarHBondContact O-N 3.27Å
23Y95.9Very high95.3Very high8 Ų853.1 Ų53.13%0.03127%0.266CS..Hα-helixtrans-63.6-34-174-68.9-57.7000113.1D10 R11 S17 V25 E26 Y27D10-Y23 WeakPolarHBondContact O-CD2 3.46Å; R11-Y23 HydrophobicContact CG-CD2 3.62Å; R11-Y23 HydrophobicContact CG-CE2 4.15Å; R11-Y23 HydrophobicContact CG-CG 4.15Å; S17-Y23 VanDerWaalsContact CB-CE2 3.42Å; Y23-V25 VanDerWaalsContact C-N 3.3Å; Y23-V25 PolarHBondContact O-N 2.78Å; Y23-E26 WeakPolarHBondContact O-CB 3.43Å; Y23-E26 PolarHBondContact O-N 2.8Å; Y23-Y27 WeakPolarHBondContact O-CD1 3.44Å; Y23-Y27 WeakPolarHBondContact O-CD2 3.3Å; Y23-Y27 PolarHBondContact O-N 2.98Å
24Q96.8Very high95.2Very high41 Ų4154.3 Ų54.319%0.19228%0.28CS..Hα-helixtrans-62.6-34.6176.3-78.5-64.4-4300113.1R11 Q12 T14 L22 Y27 A28R11-Q24 PolarHBondContact O-NE2 2.93Å; Q12-Q24 PolarHBondContact O-NE2 2.83Å; T14-Q24 HydrophobicContact CG2-CB 3.91Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.43Å; Q24-Y27 PolarHBondContact O-N 3.31Å; Q24-A28 PolarHBondContact O-N 2.96Å
25V97.1Very high94.8Very high14 Ų1455.2 Ų55.29%0.08529%0.286CS..Hα-helixtrans-69.4-42.9174.7178.10000110.3L22 Y23 Y27 A28 F29 T126 P133 A157L22-V25 HydrophobicContact CB-CB 4.18Å; L22-V25 HydrophobicContact CB-CG2 3.91Å; L22-V25 HydrophobicContact CD1-CG2 4.17Å; L22-V25 PolarHBondContact O-N 2.94Å; L22-V25 VanDerWaalsContact O-N 3.16Å; Y23-V25 VanDerWaalsContact C-N 3.3Å; Y23-V25 PolarHBondContact O-N 2.78Å; V25-Y27 VanDerWaalsContact C-N 3.27Å; V25-Y27 PolarHBondContact O-N 3.49Å; V25-A28 WeakPolarHBondContact O-CB 2.94Å; V25-A28 PolarHBondContact O-N 3.16Å; V25-A28 VanDerWaalsContact O-N 3.13Å; V25-F29 HydrophobicContact CG1-CD2 4.1Å; V25-F29 HydrophobicContact CG1-CE2 3.84Å; V25-F29 VanDerWaalsContact O-CD2 3.3Å; V25-F29 WeakPolarHBondContact O-CD2 3.27Å; V25-F29 PolarHBondContact O-N 3.3Å; V25-T126 HydrophobicContact CG2-CG2 3.86Å; V25-P133 HydrophobicContact CG2-CG 4.14Å; V25-A157 HydrophobicContact CG1-CB 3.75Å
26E96.6Very high94.6Very high56 Ų5656 Ų5626%0.26229%0.291SS..Hα-helixtrans-61.6-36.3175.4-63.3-178.5-168.900112.6R21 L22 Y23 F29 K30R21-E26 IonicContact CZ-OE1 3.15Å; R21-E26 IonicContact CZ-OE2 3.66Å; R21-E26 IonicContact NE-OE1 2.74Å; R21-E26 PolarHBondContact NE-OE1 2.62Å; R21-E26 IonicContact NE-OE2 3.97Å; R21-E26 IonicContact NH2-OE1 2.77Å; R21-E26 PolarHBondContact NH2-OE1 3.11Å; R21-E26 IonicContact NH2-OE2 2.71Å; R21-E26 PolarHBondContact NH2-OE2 2.7Å; L22-E26 PolarHBondContact O-N 3.27Å; Y23-E26 WeakPolarHBondContact O-CB 3.43Å; Y23-E26 PolarHBondContact O-N 2.8Å; E26-F29 PolarHBondContact O-N 3.31Å; E26-K30 WeakPolarHBondContact O-CG 3.35Å; E26-K30 PolarHBondContact O-N 2.69Å
27Y96.9Very high94.6Very high77 Ų7749.7 Ų49.730%0.30226%0.264SS..Hα-helixtrans-67.9-37174.8-61.7-14.7000111.8Y23 Q24 V25 K30 A31Y23-Y27 WeakPolarHBondContact O-CD1 3.44Å; Y23-Y27 WeakPolarHBondContact O-CD2 3.3Å; Y23-Y27 PolarHBondContact O-N 2.98Å; Q24-Y27 PolarHBondContact O-N 3.31Å; V25-Y27 VanDerWaalsContact C-N 3.27Å; V25-Y27 PolarHBondContact O-N 3.49Å; Y27-K30 HydrophobicContact CD1-CD 4.43Å; Y27-K30 WeakPolarHBondContact O-CB 3.36Å; Y27-K30 PolarHBondContact O-N 2.9Å; Y27-A31 PolarHBondContact O-N 3.16Å
28A97.3Very high94.7Very high9 Ų949.3 Ų49.37%0.07426%0.261CS..Hα-helixtrans-62.7-41.3173.200000112Q24 V25 K30 A31 V32 P133 P156Q24-A28 PolarHBondContact O-N 2.96Å; V25-A28 WeakPolarHBondContact O-CB 2.94Å; V25-A28 PolarHBondContact O-N 3.16Å; V25-A28 VanDerWaalsContact O-N 3.13Å; A28-K30 PolarHBondContact O-N 2.78Å; A28-A31 WeakPolarHBondContact O-CB 3.05Å; A28-A31 PolarHBondContact O-N 2.55Å; A28-A31 VanDerWaalsContact O-N 3.14Å; A28-V32 PolarHBondContact O-N 3.13Å; A28-V32 VanDerWaalsContact O-N 3.1Å; A28-P133 HydrophobicContact CB-CB 3.93Å; A28-P156 HydrophobicContact CB-CB 3.66Å; A28-P156 HydrophobicContact CB-CG 4.09Å
29F96.7Very high94.9Very high54 Ų5445.9 Ų45.924%0.23724%0.239CC..Hα-helixtrans-60.4-43.3171.3-82.2-75.2000112.3V25 E26 A31 V32 F33 D155 A157V25-F29 HydrophobicContact CG1-CD2 4.1Å; V25-F29 HydrophobicContact CG1-CE2 3.84Å; V25-F29 VanDerWaalsContact O-CD2 3.3Å; V25-F29 WeakPolarHBondContact O-CD2 3.27Å; V25-F29 PolarHBondContact O-N 3.3Å; E26-F29 PolarHBondContact O-N 3.31Å; F29-A31 PolarHBondContact O-N 2.88Å; F29-V32 WeakPolarHBondContact O-CB 3.35Å; F29-V32 PolarHBondContact O-N 2.91Å; F29-V32 VanDerWaalsContact O-N 3.1Å; F29-F33 HydrophobicContact CB-CD2 4.32Å; F29-F33 HydrophobicContact CB-CE2 4.04Å; F29-F33 HydrophobicContact CD1-CE2 4Å; F29-F33 HydrophobicContact CD1-CZ 4.46Å; F29-F33 HydrophobicContact CG-CE2 4.47Å; F29-F33 WeakPolarHBondContact O-CD2 3.04Å; F29-F33 PolarHBondContact O-N 3.01Å; F29-D155 HydrophobicContact CE1-CB 3.84Å; F29-D155 HydrophobicContact CZ-CB 3.92Å; F29-D155 WeakPolarHBondContact CZ-OD2 3.46Å; F29-A157 HydrophobicContact CE2-CB 3.98Å; F29-A157 HydrophobicContact CZ-CB 4.16Å
30K95.9Very high95.2Very high132 Ų13243.2 Ų43.257%0.57423%0.226SC*.Hα-helixtrans-58.5-38174.4-70.9177.4-175.9178.30111.8E26 Y27 A28 F33 S34E26-K30 WeakPolarHBondContact O-CG 3.35Å; E26-K30 PolarHBondContact O-N 2.69Å; Y27-K30 HydrophobicContact CD1-CD 4.43Å; Y27-K30 WeakPolarHBondContact O-CB 3.36Å; Y27-K30 PolarHBondContact O-N 2.9Å; A28-K30 PolarHBondContact O-N 2.78Å; K30-F33 PolarHBondContact O-N 3.02Å; K30-S34 VanDerWaalsContact O-CB 3.24Å; K30-S34 WeakPolarHBondContact O-CB 3.09Å; K30-S34 PolarHBondContact O-N 2.89Å; K30-S34 PolarHBondContact O-OG 2.74Å
31A95.6Very high95.4Very high21 Ų2140.8 Ų40.817%0.17420%0.201CC..Hα-helixtrans-60.9-44.4174.700000111.4Y27 A28 F29 F33 S34 L83Y27-A31 PolarHBondContact O-N 3.16Å; A28-A31 WeakPolarHBondContact O-CB 3.05Å; A28-A31 PolarHBondContact O-N 2.55Å; A28-A31 VanDerWaalsContact O-N 3.14Å; F29-A31 PolarHBondContact O-N 2.88Å; A31-F33 PolarHBondContact O-N 2.9Å; A31-S34 PolarHBondContact O-N 3.45Å; A31-S34 PolarHBondContact O-OG 3.26Å; A31-L83 HydrophobicContact CB-CD1 4.45Å; A31-L83 HydrophobicContact CB-CG 4.37Å
32V95.3Very high95.6Very high1 Ų136.1 Ų36.11%0.00618%0.184CC..Hα-helixtrans-58.6-48.3174.8178.70000111.5A28 F29 S34 V81 P156A28-V32 PolarHBondContact O-N 3.13Å; A28-V32 VanDerWaalsContact O-N 3.1Å; F29-V32 WeakPolarHBondContact O-CB 3.35Å; F29-V32 PolarHBondContact O-N 2.91Å; F29-V32 VanDerWaalsContact O-N 3.1Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 3.48Å; V32-V81 HydrophobicContact CG1-CG1 4.29Å; V32-P156 HydrophobicContact CG2-CG 4.04Å
33F92.6Very high95.7Very high86 Ų8637.4 Ų37.438%0.37719%0.188SC..Hα-helixtrans-74.9-18.7-176.8-63.6-59.1000114.2F29 K30 A31 G169 T170 S172F29-F33 HydrophobicContact CB-CD2 4.32Å; F29-F33 HydrophobicContact CB-CE2 4.04Å; F29-F33 HydrophobicContact CD1-CE2 4Å; F29-F33 HydrophobicContact CD1-CZ 4.46Å; F29-F33 HydrophobicContact CG-CE2 4.47Å; F29-F33 WeakPolarHBondContact O-CD2 3.04Å; F29-F33 PolarHBondContact O-N 3.01Å; K30-F33 PolarHBondContact O-N 3.02Å; A31-F33 PolarHBondContact O-N 2.9Å; F33-G169 WeakPolarHBondContact CD1-O 3.48Å; F33-T170 PolarHBondContact O-OG1 3.01Å; F33-S172 WeakPolarHBondContact CE1-OG 3.46Å
34S90.8Very high95.7Very high85 Ų8537.1 Ų37.159%0.59419%0.188SC*.Hα-helixtrans-77.1-22.8179.5720000113.7K30 A31 V32 N36K30-S34 VanDerWaalsContact O-CB 3.24Å; K30-S34 WeakPolarHBondContact O-CB 3.09Å; K30-S34 PolarHBondContact O-N 2.89Å; K30-S34 PolarHBondContact O-OG 2.74Å; A31-S34 PolarHBondContact O-N 3.45Å; A31-S34 PolarHBondContact O-OG 3.26Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 3.48Å; S34-N36 PolarHBondContact O-N 3.3Å
35V87.1Confident95.6Very high33 Ų3340.4 Ų40.420%0.220%0.201CC..SBendtrans-76.4108.9175.2-179.80000107.2L37 G82 T170V35-L37 HydrophobicContact CG1-CB 4.24Å; V35-L37 HydrophobicContact CG1-CD1 3.8Å; V35-L37 HydrophobicContact CG1-CG 3.96Å; V35-L37 PolarHBondContact O-N 3Å; V35-G82 WeakPolarHBondContact CG2-O 3.13Å; V35-T170 PolarHBondContact O-OG1 2.98Å
36N91.9Very high95.6Very high83 Ų8343.6 Ų43.644%0.44422%0.218SC..SBendtrans-65.358.2-176.9-169.37000112.6S34 R55 T170S34-N36 PolarHBondContact O-N 3.3Å; N36-R55 PolarHBondContact ND2-NH1 3.49Å; N36-R55 PolarHBondContact O-NE 3.24Å; N36-R55 PolarHBondContact O-NH1 3.46Å; N36-R55 PolarHBondContact O-NH2 3.43Å; N36-R55 VanDerWaalsContact O-NH2 3.16Å; N36-R55 PolarHBondContact OD1-NH2 3.12Å; N36-R55 VanDerWaalsContact OD1-NH2 3.17Å; N36-T170 WeakPolarHBondContact CA-OG1 3.28Å
37L95.1Very high95.6Very high19 Ų1941.2 Ų41.210%0.09921%0.207CC..  trans-136.7144.6177.9-66.7177.2000106.9V35 Q53 R55 N68 G169 T170V35-L37 HydrophobicContact CG1-CB 4.24Å; V35-L37 HydrophobicContact CG1-CD1 3.8Å; V35-L37 HydrophobicContact CG1-CG 3.96Å; V35-L37 PolarHBondContact O-N 3Å; L37-Q53 HydrophobicContact CD2-CB 3.84Å; L37-R55 HydrophobicContact CD2-CB 4.25Å; L37-R55 HydrophobicContact CD2-CG 3.86Å; L37-N68 WeakPolarHBondContact CD1-ND2 3.4Å; L37-G169 CarbonylContact O-C 3.57Å; L37-G169 VanDerWaalsContact O-CA 3.25Å; L37-G169 WeakPolarHBondContact O-CA 3.43Å; L37-T170 PolarHBondContact O-N 2.96Å; L37-T170 VanDerWaalsContact O-N 3.07Å
38T96.9Very high95.7Very high0 Ų037.5 Ų37.50%019%0.192CC..EExtended strand (participates in β ladder)trans-130.6136.4175-54.50000107.9Q53 L168 K171 L202T38-Q53 PolarHBondContact O-N 3.47Å; T38-L168 WeakPolarHBondContact CA-O 3.05Å; T38-K171 HydrophobicContact CG2-CB 4.16Å; T38-K171 WeakPolarHBondContact OG1-CB 3.25Å; T38-K171 PolarHBondContact OG1-N 3.06Å; T38-K171 VanDerWaalsContact OG1-N 3.12Å; T38-L202 HydrophobicContact CG2-CD1 4.04Å
39T97.9Very high95.7Very high0 Ų037.1 Ų37.10%019%0.189CC..EExtended strand (participates in β ladder)trans-121.6147.3171.5-175.40000109I51 T79 V81 I139 S167 L168T39-I51 CarbonylContact C-O 3.57Å; T39-I51 VanDerWaalsContact CA-O 3.24Å; T39-I51 WeakPolarHBondContact CA-O 3.48Å; T39-I51 WeakPolarHBondContact CB-O 3.4Å; T39-I51 PolarHBondContact OG1-O 3.2Å; T39-T79 WeakPolarHBondContact OG1-CB 3.44Å; T39-T79 PolarHBondContact OG1-OG1 3.4Å; T39-V81 HydrophobicContact CG2-CG2 3.46Å; T39-V81 VanDerWaalsContact CG2-CG2 3.46Å; T39-I139 HydrophobicContact CG2-CD1 3.62Å; T39-I139 HydrophobicContact CG2-CG1 4.29Å; T39-S167 CarbonylContact O-C 3.58Å; T39-S167 WeakPolarHBondContact O-CA 3.17Å; T39-S167 WeakPolarHBondContact O-CB 3.45Å; T39-L168 HydrophobicContact CG2-CB 3.85Å; T39-L168 PolarHBondContact N-O 3.16Å; T39-L168 PolarHBondContact O-N 2.89Å
40V98.3Very high95.8Very high0 Ų034.5 Ų34.50%018%0.178CC..EExtended strand (participates in β ladder)trans-133.4137.9178.3179.20000107.9V42 A50 I51 I166 A175 L179 C201 L202V40-V42 HydrophobicContact CG1-CG2 3.92Å; V40-A50 WeakPolarHBondContact O-CA 3.46Å; V40-I51 HydrophobicContact CB-CG2 3.81Å; V40-I51 PolarHBondContact N-O 3.04Å; V40-I51 PolarHBondContact O-N 2.94Å; V40-I166 CarbonylContact C-O 3.55Å; V40-I166 WeakPolarHBondContact CA-O 3.31Å; V40-A175 HydrophobicContact CG2-CB 4.22Å; V40-L179 HydrophobicContact CG1-CD1 4.11Å; V40-L179 HydrophobicContact CG1-CD2 4.26Å; V40-C201 HydrophobicContact CG1-CB 4.24Å; V40-L202 HydrophobicContact CG2-CD1 4.41Å
41A98.5Very high95.9Very high0 Ų028.2 Ų28.20%015%0.15CC..EExtended strand (participates in β ladder)trans-127.4132.7168.300000109.6C49 A50 I139 I151 A165 I166A41-C49 CarbonylContact C-O 2.98Å; A41-C49 WeakPolarHBondContact CA-O 3.37Å; A41-A50 HydrophobicContact CB-CB 4.28Å; A41-I139 HydrophobicContact CB-CD1 4.16Å; A41-I139 HydrophobicContact CB-CG2 3.78Å; A41-I151 HydrophobicContact CB-CD1 3.93Å; A41-I151 HydrophobicContact CB-CG2 4.04Å; A41-A165 CarbonylContact O-C 3.54Å; A41-A165 WeakPolarHBondContact O-CA 3.5Å; A41-A165 WeakPolarHBondContact O-CB 3.18Å; A41-I166 HydrophobicContact CB-CG2 4.41Å; A41-I166 PolarHBondContact N-O 2.93Å; A41-I166 PolarHBondContact O-N 3.35Å
42V98.2Very high96Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-125.2130.5-177.4-1750000109.3V40 I48 C49 A165 L179 I183 L189 T194 C197 A198V40-V42 HydrophobicContact CG1-CG2 3.92Å; V42-I48 WeakPolarHBondContact O-CA 3.4Å; V42-C49 PolarHBondContact N-O 3.25Å; V42-C49 PolarHBondContact O-N 3.19Å; V42-A165 HydrophobicContact CB-CB 4.49Å; V42-A165 HydrophobicContact CG1-CB 4.44Å; V42-A165 HydrophobicContact CG2-CB 4.29Å; V42-L179 HydrophobicContact CG2-CD2 3.87Å; V42-I183 HydrophobicContact CG1-CD1 3.98Å; V42-L189 HydrophobicContact CG1-CD1 3.85Å; V42-T194 HydrophobicContact CB-CG2 4.23Å; V42-T194 HydrophobicContact CG1-CG2 4.07Å; V42-T194 WeakPolarHBondContact O-CG2 3.41Å; V42-C197 HydrophobicContact CG1-CB 4.5Å; V42-A198 HydrophobicContact CB-CB 4.41Å; V42-A198 HydrophobicContact CG2-CB 3.85Å
43K97.4Very high96Very high66 Ų6627.7 Ų27.729%0.28714%0.144SC..EExtended strand (participates in β ladder)trans-97.4122.4174.1172.3176.9166.9166.80109.9P149 I151 S164K43-P149 HydrophobicContact CD-CB 4.07Å; K43-P149 VanDerWaalsContact CD-O 3.26Å; K43-P149 WeakPolarHBondContact CD-O 3.47Å; K43-P149 WeakPolarHBondContact CE-O 3.3Å; K43-P149 HydrophobicContact CG-CB 3.8Å; K43-P149 PolarHBondContact NZ-O 3.27Å; K43-I151 HydrophobicContact CB-CD1 3.74Å; K43-I151 HydrophobicContact CB-CG1 4.39Å; K43-S164 WeakPolarHBondContact CB-O 3.24Å; K43-S164 PolarHBondContact N-O 3.34Å
44G96.5Very high96.1Very high3 Ų325.4 Ų25.43%0.03113%0.134CC..  trans-94.7-167164.600000112.3T47 L189 T194G44-T47 WeakPolarHBondContact CA-O 3.47Å; G44-T47 PolarHBondContact N-O 3.21Å; G44-L189 CarbonylContact C-O 3.53Å; G44-L189 VanDerWaalsContact CA-O 3.3Å; G44-L189 WeakPolarHBondContact CA-O 3.25Å; G44-T194 VanDerWaalsContact CA-OG1 3.31Å; G44-T194 WeakPolarHBondContact CA-OG1 3.38Å
45K95.5Very high96.2Very high109 Ų10926.2 Ų26.247%0.47412%0.124SC..SBendtrans-62.9-53.1178.5-173.9-179.2177.3-177.70112.5P188 L189K45-P188 HydrophobicContact CB-CB 4Å; K45-P188 HydrophobicContact CB-CG 4.24Å; K45-P188 HydrophobicContact CG-CG 4.38Å; K45-L189 PolarHBondContact N-O 3.05Å
46N95.9Very high96.5Very high82 Ų8227.1 Ų27.144%0.43913%0.13SC..SBendtrans-128.621.1-176.7-63.8-31.7000111.4T221 T222N46-T221 WeakPolarHBondContact O-CA 3.37Å; N46-T222 WeakPolarHBondContact CB-OG1 3.36Å; N46-T222 PolarHBondContact O-N 3.43Å; N46-T222 VanDerWaalsContact O-N 3.09Å
47T97.3Very high96.3Very high5 Ų528.5 Ų28.53%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-144.7144.1-170.8-61.90000110.5G44 H191 T194 V219 L220 T221G44-T47 WeakPolarHBondContact CA-O 3.47Å; G44-T47 PolarHBondContact N-O 3.21Å; T47-H191 WeakPolarHBondContact CG2-ND1 3.33Å; T47-H191 PolarHBondContact OG1-ND1 2.9Å; T47-T194 HydrophobicContact CG2-CG2 4.21Å; T47-V219 HydrophobicContact CG2-CG1 3.84Å; T47-L220 CarbonylContact C-O 3.51Å; T47-L220 VanDerWaalsContact CA-O 3.24Å; T47-L220 WeakPolarHBondContact CA-O 3.44Å; T47-T221 HydrophobicContact CG2-CG2 4.33Å
48I98.2Very high96.1Very high0 Ų031.3 Ų31.30%016%0.158CC..EExtended strand (participates in β ladder)trans-119.9134163.2-57.3177.1000107.6V42 F141 A142 I143 P149 L150 I151 V219 L220V42-I48 WeakPolarHBondContact O-CA 3.4Å; I48-F141 HydrophobicContact CD1-CB 4.07Å; I48-F141 HydrophobicContact CG2-CB 3.93Å; I48-F141 HydrophobicContact CG2-CD2 4.44Å; I48-F141 HydrophobicContact CG2-CG 4.3Å; I48-A142 VanDerWaalsContact CD1-O 3.25Å; I48-A142 WeakPolarHBondContact CD1-O 3.21Å; I48-I143 HydrophobicContact CD1-CD1 4.2Å; I48-I143 HydrophobicContact CG1-CD1 4.18Å; I48-P149 HydrophobicContact CD1-CB 3.95Å; I48-P149 HydrophobicContact CG1-CB 3.63Å; I48-L150 VanDerWaalsContact CD1-O 3.31Å; I48-L150 WeakPolarHBondContact CD1-O 3.17Å; I48-I151 HydrophobicContact CD1-CG1 4.17Å; I48-I151 HydrophobicContact CG2-CD1 3.97Å; I48-I151 HydrophobicContact CG2-CG1 3.97Å; I48-V219 WeakPolarHBondContact O-CA 3.38Å; I48-L220 HydrophobicContact CB-CB 4.49Å; I48-L220 PolarHBondContact N-O 3.13Å; I48-L220 PolarHBondContact O-N 3.21Å
49C98.3Very high95.9Very high0 Ų041.4 Ų41.40%020%0.202CC..EExtended strand (participates in β ladder)trans-115.8122166.4-1770000108.7A41 V42 T194 I195 A198A41-C49 CarbonylContact C-O 2.98Å; A41-C49 WeakPolarHBondContact CA-O 3.37Å; V42-C49 PolarHBondContact N-O 3.25Å; V42-C49 PolarHBondContact O-N 3.19Å; C49-T194 HydrophobicContact CB-CG2 4.05Å; C49-I195 HydrophobicContact CB-CG1 4.16Å; C49-A198 HydrophobicContact CB-CB 4.08Å
50A98.5Very high95.8Very high0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-112.7128.3169.900000109V40 A41 M69 T79 F141 I217 C218V40-A50 WeakPolarHBondContact O-CA 3.46Å; A41-A50 HydrophobicContact CB-CB 4.28Å; A50-M69 VanDerWaalsContact O-CE 3.29Å; A50-M69 WeakPolarHBondContact O-CE 3.48Å; A50-T79 HydrophobicContact CB-CG2 4.29Å; A50-F141 HydrophobicContact CB-CD1 3.77Å; A50-F141 HydrophobicContact CB-CE1 3.38Å; A50-F141 HydrophobicContact CB-CE2 4.23Å; A50-F141 HydrophobicContact CB-CG 4.34Å; A50-F141 HydrophobicContact CB-CZ 3.65Å; A50-I217 CarbonylContact O-C 3.54Å; A50-I217 WeakPolarHBondContact O-CA 3.4Å; A50-C218 PolarHBondContact N-O 3.36Å; A50-C218 PolarHBondContact O-N 3.05Å
51I98.4Very high95.7Very high0 Ų052.9 Ų52.90%026%0.261CS..EExtended strand (participates in β ladder)trans-125.9140.1179.2-172.8169.9000110T39 V40 A198 I199 L202 L210 V215 E216 I217T39-I51 CarbonylContact C-O 3.57Å; T39-I51 VanDerWaalsContact CA-O 3.24Å; T39-I51 WeakPolarHBondContact CA-O 3.48Å; T39-I51 WeakPolarHBondContact CB-O 3.4Å; T39-I51 PolarHBondContact OG1-O 3.2Å; V40-I51 HydrophobicContact CB-CG2 3.81Å; V40-I51 PolarHBondContact N-O 3.04Å; V40-I51 PolarHBondContact O-N 2.94Å; I51-A198 HydrophobicContact CG2-CB 3.98Å; I51-I199 HydrophobicContact CD1-CG1 4.05Å; I51-L202 HydrophobicContact CD1-CB 4.38Å; I51-L202 HydrophobicContact CD1-CD2 3.69Å; I51-L202 HydrophobicContact CG1-CD2 3.67Å; I51-L202 HydrophobicContact CG2-CB 4.38Å; I51-L202 HydrophobicContact CG2-CD2 4.28Å; I51-L210 HydrophobicContact CD1-CD1 4.31Å; I51-V215 HydrophobicContact CD1-CB 4.3Å; I51-V215 HydrophobicContact CD1-CG1 4.23Å; I51-V215 HydrophobicContact CG1-CB 4.25Å; I51-V215 HydrophobicContact CG1-CG1 4.37Å; I51-E216 WeakPolarHBondContact CA-O 2.98Å; I51-I217 HydrophobicContact CB-CG1 4.2Å; I51-I217 HydrophobicContact CD1-CD1 3.87Å; I51-I217 HydrophobicContact CD1-CG1 3.82Å; I51-I217 HydrophobicContact CG1-CD1 4.37Å; I51-I217 HydrophobicContact CG1-CG1 3.74Å
52V97.4Very high95.4Very high0 Ų057.4 Ų57.40%029%0.285CS..EExtended strand (participates in β ladder)trans-139.2142.5175.263.90000110.7K54 N68 M69 T79 V215 E216V52-K54 PolarHBondContact O-N 2.78Å; V52-N68 HydrophobicContact CG1-CB 4.17Å; V52-N68 HydrophobicContact CG2-CB 3.7Å; V52-M69 HydrophobicContact CG1-CB 4.19Å; V52-M69 HydrophobicContact CG1-CE 4.16Å; V52-T79 HydrophobicContact CB-CG2 4.2Å; V52-T79 HydrophobicContact CG1-CG2 4.24Å; V52-V215 WeakPolarHBondContact O-CA 3.4Å; V52-E216 HydrophobicContact CG1-CB 3.93Å; V52-E216 PolarHBondContact N-O 2.89Å; V52-E216 PolarHBondContact O-N 2.75Å
53Q96Very high95.2Very high10 Ų1059.3 Ų59.35%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-63134.1171.1-67.1-176-74.500110.8L37 T38 L202L37-Q53 HydrophobicContact CD2-CB 3.84Å; T38-Q53 PolarHBondContact O-N 3.47Å; Q53-L202 HydrophobicContact CG-CD1 4.06Å; Q53-L202 HydrophobicContact CG-CD2 4.03Å; Q53-L202 HydrophobicContact CG-CG 4.4Å
54K95Very high94.9Very high38 Ų3861.3 Ų61.317%0.16532%0.322CS..  trans-109.1120.5170.3-176.5171.9-179.4158.40108.8V52 V56 A63 V66 E214 E216V52-K54 PolarHBondContact O-N 2.78Å; K54-V56 HydrophobicContact CG-CG2 4.48Å; K54-A63 WeakPolarHBondContact CE-O 3.48Å; K54-A63 PolarHBondContact NZ-O 3.26Å; K54-V66 WeakPolarHBondContact CE-O 3.37Å; K54-V66 PolarHBondContact NZ-O 2.81Å; K54-E214 PolarHBondContact N-O 2.8Å; K54-E214 CarbonylContact O-C 3.57Å; K54-E214 WeakPolarHBondContact O-CA 3.32Å; K54-E216 HydrophobicContact CB-CG 4.3Å; K54-E216 HydrophobicContact CD-CG 3.97Å
55R92Very high94.8Very high103 Ų10365.3 Ų65.339%0.38935%0.346SS..  trans-126.4115.6177.4-66.6-169.3-177.8-178.412.6109.6N36 L37 P57N36-R55 PolarHBondContact ND2-NH1 3.49Å; N36-R55 PolarHBondContact O-NE 3.24Å; N36-R55 PolarHBondContact O-NH1 3.46Å; N36-R55 PolarHBondContact O-NH2 3.43Å; N36-R55 VanDerWaalsContact O-NH2 3.16Å; N36-R55 PolarHBondContact OD1-NH2 3.12Å; N36-R55 VanDerWaalsContact OD1-NH2 3.17Å; L37-R55 HydrophobicContact CD2-CB 4.25Å; L37-R55 HydrophobicContact CD2-CG 3.86Å; R55-P57 WeakPolarHBondContact O-CD 3.46Å
56V92.5Very high94.8Very high52 Ų5261.1 Ų61.132%0.31533%0.329SS..  trans-102.199.9174.9-1730000106.6K54 D58 M61 A63 V66K54-V56 HydrophobicContact CG-CG2 4.48Å; V56-D58 VanDerWaalsContact C-N 3.27Å; V56-D58 WeakPolarHBondContact CG1-O 3.49Å; V56-D58 PolarHBondContact O-N 3.23Å; V56-M61 HydrophobicContact CG1-CB 3.87Å; V56-A63 HydrophobicContact CG1-CB 4.43Å; V56-A63 HydrophobicContact CG2-CB 3.77Å; V56-V66 HydrophobicContact CG2-CB 4.27Å; V56-V66 HydrophobicContact CG2-CG1 4.5Å; V56-V66 HydrophobicContact CG2-CG2 4.44Å
57P88Confident94.8Very high112 Ų11258.5 Ų58.573%0.72732%0.318SS*.  trans-70.8-23.8-168.927.6-35.2000113.3R55 M61R55-P57 WeakPolarHBondContact O-CD 3.46Å; P57-M61 HydrophobicContact CG-SD 3.63Å
58D91.7Very high94.7Very high78 Ų7859 Ų5942%0.41732%0.32SS..  trans-128134.5-176.7-170.2-23000109.9V56 L60 M61V56-D58 VanDerWaalsContact C-N 3.27Å; V56-D58 WeakPolarHBondContact CG1-O 3.49Å; V56-D58 PolarHBondContact O-N 3.23Å; D58-L60 PolarHBondContact O-N 3.42Å; D58-L60 WeakPolarHBondContact OD1-CB 3.26Å; D58-L60 PolarHBondContact OD1-N 3.37Å; D58-M61 HydrophobicContact CB-CG 4.01Å; D58-M61 HydrophobicContact CB-SD 4.2Å; D58-M61 WeakPolarHBondContact O-CB 3.38Å; D58-M61 PolarHBondContact O-N 3.35Å
59K91.9Very high94.7Very high211 Ų21159.6 Ų59.692%0.91732%0.323SS*.THydrogen-bonded Turntrans-62.6-22.1176.4-64.5-177.2179.2-178.30112.8M61K59-M61 VanDerWaalsContact C-N 3.31Å
60L96.4Very high94.7Very high159 Ų15961.4 Ų61.483%0.83233%0.331SS*.THydrogen-bonded Turntrans-80.9-12.3176.6-59.4179.7000112.9D58D58-L60 PolarHBondContact O-N 3.42Å; D58-L60 WeakPolarHBondContact OD1-CB 3.26Å; D58-L60 PolarHBondContact OD1-N 3.37Å
61M95Very high94.7Very high83 Ų8366.9 Ų66.941%0.40935%0.351SS..SBendtrans-78.4135.9174.4-72.7178.170.900110.6V56 P57 D58 K59 A63 V66V56-M61 HydrophobicContact CG1-CB 3.87Å; P57-M61 HydrophobicContact CG-SD 3.63Å; D58-M61 HydrophobicContact CB-CG 4.01Å; D58-M61 HydrophobicContact CB-SD 4.2Å; D58-M61 WeakPolarHBondContact O-CB 3.38Å; D58-M61 PolarHBondContact O-N 3.35Å; K59-M61 VanDerWaalsContact C-N 3.31Å; M61-A63 PolarHBondContact O-N 3.48Å; M61-V66 HydrophobicContact CE-CG2 3.63Å
62D94.2Very high94.7Very high94 Ų9467.5 Ų67.550%0.50336%0.355SS..  trans-69.4106.6169.3-177.7-0.9000110C64 T65D62-C64 PolarHBondContact O-N 3.3Å; D62-C64 VanDerWaalsContact O-N 3.15Å; D62-C64 VanDerWaalsContact OD1-CB 3.3Å; D62-C64 WeakPolarHBondContact OD1-CB 3.34Å; D62-C64 PolarHBondContact OD1-N 2.94Å; D62-T65 HydrophobicContact CB-CG2 4.09Å; D62-T65 PolarHBondContact O-N 3.49Å; D62-T65 PolarHBondContact O-OG1 3.49Å
63A93.1Very high94.7Very high40 Ų4068.7 Ų68.733%0.33136%0.362SS..G310 helixtrans-55.2-28.9178.500000113K54 V56 M61 T65 V66K54-A63 WeakPolarHBondContact CE-O 3.48Å; K54-A63 PolarHBondContact NZ-O 3.26Å; V56-A63 HydrophobicContact CG1-CB 4.43Å; V56-A63 HydrophobicContact CG2-CB 3.77Å; M61-A63 PolarHBondContact O-N 3.48Å; A63-T65 PolarHBondContact O-N 2.92Å; A63-V66 PolarHBondContact O-N 2.92Å
64C91.9Very high94.7Very high108 Ų10872.9 Ų72.973%0.7338%0.381SS*.G310 helixtrans-67.3-24.1178.8-65.70000112.6D62D62-C64 PolarHBondContact O-N 3.3Å; D62-C64 VanDerWaalsContact O-N 3.15Å; D62-C64 VanDerWaalsContact OD1-CB 3.3Å; D62-C64 WeakPolarHBondContact OD1-CB 3.34Å; D62-C64 PolarHBondContact OD1-N 2.94Å
65T93.5Very high94.8Very high87 Ų8774.8 Ų74.853%0.53439%0.388SS..G310 helixtrans-90.3-10.918070.50000113.6D62 A63D62-T65 HydrophobicContact CB-CG2 4.09Å; D62-T65 PolarHBondContact O-N 3.49Å; D62-T65 PolarHBondContact O-OG1 3.49Å; A63-T65 PolarHBondContact O-N 2.92Å
66V94.9Very high95.1Very high22 Ų2270 Ų7013%0.13337%0.37CS..  trans-94.2101.4177.8-1760000108.6K54 V56 M61 A63K54-V66 WeakPolarHBondContact CE-O 3.37Å; K54-V66 PolarHBondContact NZ-O 2.81Å; V56-V66 HydrophobicContact CG2-CB 4.27Å; V56-V66 HydrophobicContact CG2-CG1 4.5Å; V56-V66 HydrophobicContact CG2-CG2 4.44Å; M61-V66 HydrophobicContact CE-CG2 3.63Å; A63-V66 PolarHBondContact O-N 2.92Å
67S95.6Very high95.4Very high27 Ų2767.5 Ų67.519%0.18936%0.355CS..  trans-141.4145.9178.1-173.30000110.8M69 F70 E216S67-M69 PolarHBondContact OG-N 3.36Å; S67-M69 VanDerWaalsContact OG-N 3.13Å; S67-M69 PolarHBondContact OG-O 2.86Å; S67-F70 WeakPolarHBondContact O-CZ 3.17Å; S67-E216 VanDerWaalsContact CA-OE2 3.32Å; S67-E216 WeakPolarHBondContact CA-OE2 3.27Å; S67-E216 WeakPolarHBondContact CB-OE1 3.3Å; S67-E216 PolarHBondContact OG-OE1 3.08Å; S67-E216 PolarHBondContact OG-OE2 2.89Å
68N96.8Very high95.9Very high15 Ų1562.1 Ų62.18%0.0832%0.32CS..SBendtrans-114.211.6169.1-68.7-66.6000111.5L37 V52 T79 V80 E216L37-N68 WeakPolarHBondContact CD1-ND2 3.4Å; V52-N68 HydrophobicContact CG1-CB 4.17Å; V52-N68 HydrophobicContact CG2-CB 3.7Å; N68-T79 CarbonylContact O-C 3.55Å; N68-T79 VanDerWaalsContact O-CA 3.23Å; N68-T79 WeakPolarHBondContact O-CA 3.34Å; N68-V80 WeakPolarHBondContact CB-O 3.42Å; N68-V80 PolarHBondContact O-N 3.06Å; N68-E216 PolarHBondContact N-OE2 3.04Å; N68-E216 VanDerWaalsContact N-OE2 3.09Å
69M97.9Very high96.2Very high12 Ų1258.4 Ų58.46%0.05930%0.3CS..EExtended strand (participates in β ladder)trans-121.1124.4-177.9-174.1179.6-78.600109.2A50 V52 S67 C78 T79 E216 C218 F227A50-M69 VanDerWaalsContact O-CE 3.29Å; A50-M69 WeakPolarHBondContact O-CE 3.48Å; V52-M69 HydrophobicContact CG1-CB 4.19Å; V52-M69 HydrophobicContact CG1-CE 4.16Å; S67-M69 PolarHBondContact OG-N 3.36Å; S67-M69 VanDerWaalsContact OG-N 3.13Å; S67-M69 PolarHBondContact OG-O 2.86Å; M69-C78 CarbonylContact C-O 3.49Å; M69-C78 WeakPolarHBondContact CA-O 3.37Å; M69-T79 HydrophobicContact CB-CG2 4.32Å; M69-T79 HydrophobicContact CE-CG2 3.86Å; M69-T79 HydrophobicContact CG-CG2 4.21Å; M69-E216 HydrophobicContact CB-CB 4.41Å; M69-E216 HydrophobicContact CE-CB 4.12Å; M69-E216 WeakPolarHBondContact CE-O 3.33Å; M69-E216 HydrophobicContact SD-CB 4.19Å; M69-C218 HydrophobicContact CE-CB 3.81Å; M69-C218 HydrophobicContact CG-CB 4.43Å; M69-C218 HydrophobicContact SD-CB 3.35Å; M69-C218 WeakPolarHBondContact SD-CB 2.98Å; M69-F227 HydrophobicContact CG-CE2 4.17Å; M69-F227 HydrophobicContact CG-CZ 3.93Å; M69-F227 HydrophobicContact SD-CZ 4.3Å
70F98.2Very high96.5Very high38 Ų3848.4 Ų48.417%0.16726%0.257CS..EExtended strand (participates in β ladder)trans-134.1137.5-171.9-58.8-82000111.6S67 C78 V80 V91S67-F70 WeakPolarHBondContact O-CZ 3.17Å; F70-C78 PolarHBondContact N-O 3.15Å; F70-C78 PolarHBondContact O-N 2.89Å; F70-V80 HydrophobicContact CD2-CG2 3.82Å; F70-V80 HydrophobicContact CE2-CG2 3.47Å; F70-V80 VanDerWaalsContact CE2-CG2 3.47Å; F70-V91 HydrophobicContact CB-CG1 3.93Å; F70-V91 HydrophobicContact CB-CG2 4.3Å; F70-V91 HydrophobicContact CD1-CG1 4.39Å; F70-V91 HydrophobicContact CD2-CG1 4.49Å; F70-V91 HydrophobicContact CD2-CG2 3.71Å; F70-V91 HydrophobicContact CE2-CG2 4.29Å; F70-V91 HydrophobicContact CG-CG1 4.02Å; F70-V91 HydrophobicContact CG-CG2 4.07Å
71R98.2Very high96.6Very high115 Ų11540.9 Ų40.943%0.43422%0.217SC..EExtended strand (participates in β ladder)trans-74.8123.5164.4-170.1171.864.6149.25.7109.9T73 E74 R95 F227R71-T73 WeakPolarHBondContact CG-O 3.31Å; R71-E74 IonicContact CZ-OE1 3.64Å; R71-E74 IonicContact CZ-OE2 3.6Å; R71-E74 IonicContact NH1-OE1 3.36Å; R71-E74 PolarHBondContact NH1-OE1 3.15Å; R71-E74 IonicContact NH1-OE2 3.94Å; R71-E74 PolarHBondContact NH1-OE2 3.08Å; R71-E74 IonicContact NH2-OE1 3.04Å; R71-R95 PolarHBondContact O-NE 3.37Å; R71-R95 PolarHBondContact O-NH2 3.4Å; R71-F227 HydrophobicContact CB-CB 4.43Å; R71-F227 HydrophobicContact CB-CD1 3.63Å; R71-F227 HydrophobicContact CB-CD2 4.36Å; R71-F227 HydrophobicContact CB-CE1 3.92Å; R71-F227 HydrophobicContact CB-CG 3.87Å; R71-F227 HydrophobicContact CB-CZ 4.39Å; R71-F227 HydrophobicContact CG-CB 3.8Å; R71-F227 HydrophobicContact CG-CD1 3.85Å; R71-F227 HydrophobicContact CG-CG 3.79Å
72L98.4Very high96.7Very high13 Ų1337 Ų377%0.06820%0.199CC..SBendtrans-97.5-44.8176.8-61.9-177.2000111.6I76 C78 V91 A94 R95 L114 M138 L140L72-I76 HydrophobicContact CB-CB 4.37Å; L72-I76 HydrophobicContact CB-CG2 4.23Å; L72-I76 WeakPolarHBondContact CB-O 3.31Å; L72-I76 HydrophobicContact CD1-CG2 4.06Å; L72-I76 PolarHBondContact N-O 2.85Å; L72-C78 HydrophobicContact CD1-CB 3.82Å; L72-C78 HydrophobicContact CG-CB 4.17Å; L72-V91 HydrophobicContact CD2-CG1 3.91Å; L72-A94 HydrophobicContact CD1-CB 3.92Å; L72-A94 HydrophobicContact CD2-CB 3.85Å; L72-A94 HydrophobicContact CG-CB 4.48Å; L72-R95 HydrophobicContact CD2-CG 4.1Å; L72-L114 HydrophobicContact CD1-CD2 3.96Å; L72-M138 HydrophobicContact CD1-SD 4.36Å; L72-L140 HydrophobicContact CD1-CD2 3.83Å
73T97.8Very high96.8Very high25 Ų2535.9 Ų35.915%0.15319%0.193CC..SBendtrans-133.2-177.1168.570.60000108.5R71 R75 I76 A98 E108R71-T73 WeakPolarHBondContact CG-O 3.31Å; T73-R75 PolarHBondContact O-N 2.77Å; T73-R75 PolarHBondContact OG1-N 2.95Å; T73-I76 HydrophobicContact CG2-CB 4.49Å; T73-I76 HydrophobicContact CG2-CD1 4.34Å; T73-I76 PolarHBondContact N-O 2.99Å; T73-I76 WeakPolarHBondContact OG1-CB 3.37Å; T73-I76 WeakPolarHBondContact OG1-CG1 3.42Å; T73-I76 PolarHBondContact OG1-N 3Å; T73-A98 HydrophobicContact CG2-CB 3.59Å; T73-E108 VanDerWaalsContact CB-OE1 3.3Å; T73-E108 WeakPolarHBondContact CB-OE1 3.26Å; T73-E108 PolarHBondContact OG1-OE1 3.43Å
74E96.5Very high96.9Very high98 Ų9837.7 Ų37.746%0.45820%0.199SC..SBendtrans-60-32173.5-67.4-58.4155.500112.4R71 E226 F227R71-E74 IonicContact CZ-OE1 3.64Å; R71-E74 IonicContact CZ-OE2 3.6Å; R71-E74 IonicContact NH1-OE1 3.36Å; R71-E74 PolarHBondContact NH1-OE1 3.15Å; R71-E74 IonicContact NH1-OE2 3.94Å; R71-E74 PolarHBondContact NH1-OE2 3.08Å; R71-E74 IonicContact NH2-OE1 3.04Å; E74-E226 CarbonylContact O-C 3.59Å; E74-E226 VanDerWaalsContact O-CA 3.27Å; E74-E226 WeakPolarHBondContact O-CA 3.24Å; E74-F227 PolarHBondContact O-N 2.99Å
75R97Very high97.1Very high78 Ų7836.1 Ų36.129%0.29419%0.194SC..SBendtrans-110.8-12.2-176.3-58178.1117-171.13.6115.1T73 E108 A142 P225T73-R75 PolarHBondContact O-N 2.77Å; T73-R75 PolarHBondContact OG1-N 2.95Å; R75-E108 WeakPolarHBondContact CD-OE2 3.36Å; R75-A142 WeakPolarHBondContact O-CB 3.28Å; R75-P225 WeakPolarHBondContact CA-O 3.44Å; R75-P225 VanDerWaalsContact NH2-CG 3.25Å
76I98.3Very high97.3Very high2 Ų232.6 Ų32.61%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-105.9118.3178.8-54.8178000110.2L72 T73 I109 V111 L114 A142L72-I76 HydrophobicContact CB-CB 4.37Å; L72-I76 HydrophobicContact CB-CG2 4.23Å; L72-I76 WeakPolarHBondContact CB-O 3.31Å; L72-I76 HydrophobicContact CD1-CG2 4.06Å; L72-I76 PolarHBondContact N-O 2.85Å; T73-I76 HydrophobicContact CG2-CB 4.49Å; T73-I76 HydrophobicContact CG2-CD1 4.34Å; T73-I76 PolarHBondContact N-O 2.99Å; T73-I76 WeakPolarHBondContact OG1-CB 3.37Å; T73-I76 WeakPolarHBondContact OG1-CG1 3.42Å; T73-I76 PolarHBondContact OG1-N 3Å; I76-I109 HydrophobicContact CD1-CG2 3.77Å; I76-I109 WeakPolarHBondContact CD1-O 3.35Å; I76-V111 HydrophobicContact CG2-CG2 4.26Å; I76-L114 HydrophobicContact CD1-CD2 3.96Å; I76-L114 HydrophobicContact CG2-CD2 4.16Å; I76-A142 HydrophobicContact CG1-CB 3.95Å
77G98.5Very high97.5Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-101.9161.3167.500000112.4F141 F227G77-F141 PolarHBondContact N-O 2.93Å; G77-F141 PolarHBondContact O-N 3.06Å; G77-F227 VanDerWaalsContact CA-CD2 3.45Å
78C98.6Very high97.6Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-142.4154.3166.570.10000112.7M69 F70 L72 M138 I139 L140M69-C78 CarbonylContact C-O 3.49Å; M69-C78 WeakPolarHBondContact CA-O 3.37Å; F70-C78 PolarHBondContact N-O 3.15Å; F70-C78 PolarHBondContact O-N 2.89Å; L72-C78 HydrophobicContact CD1-CB 3.82Å; L72-C78 HydrophobicContact CG-CB 4.17Å; C78-M138 HydrophobicContact CB-CG 3.77Å; C78-M138 HydrophobicContact CB-SD 3.94Å; C78-I139 CarbonylContact C-O 3.56Å; C78-I139 WeakPolarHBondContact CA-O 3.34Å; C78-I139 WeakPolarHBondContact CB-O 3.43Å; C78-L140 HydrophobicContact CB-CG 4.44Å
79T98.3Very high97.6Very high0 Ų039.8 Ų39.80%020%0.202CC..EExtended strand (participates in β ladder)trans-111.6148.6157.960.60000109.7T39 A50 V52 N68 M69 M138 I139 F141T39-T79 WeakPolarHBondContact OG1-CB 3.44Å; T39-T79 PolarHBondContact OG1-OG1 3.4Å; A50-T79 HydrophobicContact CB-CG2 4.29Å; V52-T79 HydrophobicContact CB-CG2 4.2Å; V52-T79 HydrophobicContact CG1-CG2 4.24Å; N68-T79 CarbonylContact O-C 3.55Å; N68-T79 VanDerWaalsContact O-CA 3.23Å; N68-T79 WeakPolarHBondContact O-CA 3.34Å; M69-T79 HydrophobicContact CB-CG2 4.32Å; M69-T79 HydrophobicContact CE-CG2 3.86Å; M69-T79 HydrophobicContact CG-CG2 4.21Å; T79-M138 CarbonylContact O-C 3.55Å; T79-M138 WeakPolarHBondContact O-CA 3.24Å; T79-I139 PolarHBondContact N-O 2.78Å; T79-I139 PolarHBondContact O-N 2.93Å; T79-F141 HydrophobicContact CG2-CE1 4.19Å
80V97.9Very high97.7Very high1 Ų139.3 Ų39.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-129.4142.5-179.2-68.60000110.8N68 F70 C87 V91 S137 M138N68-V80 WeakPolarHBondContact CB-O 3.42Å; N68-V80 PolarHBondContact O-N 3.06Å; F70-V80 HydrophobicContact CD2-CG2 3.82Å; F70-V80 HydrophobicContact CE2-CG2 3.47Å; F70-V80 VanDerWaalsContact CE2-CG2 3.47Å; V80-C87 HydrophobicContact CB-CB 3.93Å; V80-C87 HydrophobicContact CG2-CB 3.7Å; V80-V91 HydrophobicContact CG1-CG2 3.84Å; V80-S137 WeakPolarHBondContact CA-O 3.47Å; V80-M138 HydrophobicContact CG1-CB 4.05Å; V80-M138 HydrophobicContact CG1-CE 3.63Å; V80-M138 HydrophobicContact CG1-CG 3.84Å
81V97.3Very high97.7Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-135.9141.5175.5-179.80000109.6V32 T39 C136 S137V32-V81 HydrophobicContact CG1-CG1 4.29Å; T39-V81 HydrophobicContact CG2-CG2 3.46Å; T39-V81 VanDerWaalsContact CG2-CG2 3.46Å; V81-C136 CarbonylContact O-C 3.56Å; V81-C136 VanDerWaalsContact O-CA 3.28Å; V81-C136 WeakPolarHBondContact O-CA 3.23Å; V81-S137 PolarHBondContact N-O 3.15Å; V81-S137 PolarHBondContact O-N 3.33Å
82G96.6Very high97.7Very high3 Ų337.8 Ų37.83%0.03120%0.198CC..EExtended strand (participates in β ladder)trans126.2-154.6-179.800000111.8V35 V84 G135V35-G82 WeakPolarHBondContact CG2-O 3.13Å; G82-V84 PolarHBondContact O-N 3.3Å; G82-G135 CarbonylContact C-O 3.59Å; G82-G135 VanDerWaalsContact CA-O 3.3Å; G82-G135 WeakPolarHBondContact CA-O 3.39Å
83L96.4Very high97.7Very high70 Ų7041.6 Ų41.637%0.36621%0.212SC..  trans-61.4118.2-178.1-62.7179000110.4A31 A85 D86 C87 G135A31-L83 HydrophobicContact CB-CD1 4.45Å; A31-L83 HydrophobicContact CB-CG 4.37Å; L83-A85 VanDerWaalsContact C-N 3.25Å; L83-A85 PolarHBondContact O-N 3.2Å; L83-A85 VanDerWaalsContact O-N 3.13Å; L83-D86 HydrophobicContact CB-CB 4.14Å; L83-D86 WeakPolarHBondContact O-CB 3.45Å; L83-D86 PolarHBondContact O-N 2.89Å; L83-C87 PolarHBondContact O-N 2.91Å; L83-C87 PolarHBondContact O-SG 3.17Å; L83-C87 VanDerWaalsContact O-SG 3.33Å; L83-G135 PolarHBondContact N-O 2.77Å
84V95.5Very high97.8Very high78 Ų7840.4 Ų40.447%0.47320%0.204SC..Hα-helixtrans-54.6-39-171.7178.20000113G82 R88G82-V84 PolarHBondContact O-N 3.3Å; V84-R88 WeakPolarHBondContact O-CG 3.47Å; V84-R88 PolarHBondContact O-N 3.24Å
85A97.2Very high97.9Very high75 Ų7540.1 Ų40.162%0.6220%0.199SC*.Hα-helixtrans-65.5-43.1177.700000112.3L83 R88 S89L83-A85 VanDerWaalsContact C-N 3.25Å; L83-A85 PolarHBondContact O-N 3.2Å; L83-A85 VanDerWaalsContact O-N 3.13Å; A85-R88 PolarHBondContact O-N 3.31Å; A85-S89 PolarHBondContact O-N 3.47Å
86D97.8Very high97.9Very high12 Ų1241.9 Ų41.96%0.06421%0.207CC..Hα-helixtrans-67.1-43177.6-68.14.2000110.6L83 R88 S89 Q90 R132 L134 G135 C136L83-D86 HydrophobicContact CB-CB 4.14Å; L83-D86 WeakPolarHBondContact O-CB 3.45Å; L83-D86 PolarHBondContact O-N 2.89Å; D86-R88 PolarHBondContact O-N 3.01Å; D86-S89 WeakPolarHBondContact O-CB 3.4Å; D86-S89 PolarHBondContact O-N 2.86Å; D86-Q90 PolarHBondContact O-N 2.85Å; D86-R132 IonicContact OD1-CZ 3.74Å; D86-R132 IonicContact OD1-NH1 3.61Å; D86-R132 IonicContact OD1-NH2 2.91Å; D86-R132 PolarHBondContact OD1-NH2 3.49Å; D86-R132 IonicContact OD2-CZ 3.65Å; D86-R132 IonicContact OD2-NH1 3.96Å; D86-R132 PolarHBondContact OD2-NH1 2.96Å; D86-R132 IonicContact OD2-NH2 3.2Å; D86-R132 PolarHBondContact OD2-NH2 2.96Å; D86-L134 HydrophobicContact CB-CB 4.24Å; D86-L134 HydrophobicContact CB-CD2 4.22Å; D86-G135 PolarHBondContact OD2-N 3.31Å; D86-C136 HydrophobicContact CB-CB 4.17Å
87C97.6Very high98Very high3 Ų342.5 Ų42.52%0.0221%0.209CC..Hα-helixtrans-54-50.4174.5-68.70000111.5V80 L83 S89 Q90 V91 C136V80-C87 HydrophobicContact CB-CB 3.93Å; V80-C87 HydrophobicContact CG2-CB 3.7Å; L83-C87 PolarHBondContact O-N 2.91Å; L83-C87 PolarHBondContact O-SG 3.17Å; L83-C87 VanDerWaalsContact O-SG 3.33Å; C87-S89 PolarHBondContact O-N 3.26Å; C87-Q90 PolarHBondContact O-N 2.88Å; C87-V91 VanDerWaalsContact O-CG2 3.28Å; C87-V91 WeakPolarHBondContact O-CG2 3.41Å; C87-V91 PolarHBondContact O-N 3.47Å; C87-C136 HydrophobicContact CB-CB 4.41Å; C87-C136 WeakPolarHBondContact SG-CB 3.49Å
88R97.9Very high98Very high145 Ų14542.7 Ų42.755%0.54721%0.211SC..Hα-helixtrans-64.2-39.5178.9-73.4178.4176.8171.1-1.7112.3V84 A85 D86 V91 Q92V84-R88 WeakPolarHBondContact O-CG 3.47Å; V84-R88 PolarHBondContact O-N 3.24Å; A85-R88 PolarHBondContact O-N 3.31Å; D86-R88 PolarHBondContact O-N 3.01Å; R88-V91 PolarHBondContact O-N 2.98Å; R88-Q92 WeakPolarHBondContact O-CB 3.35Å; R88-Q92 PolarHBondContact O-N 3.28Å
89S98.3Very high98Very high67 Ų6745.7 Ų45.747%0.46924%0.236SC..Hα-helixtrans-61-46.3174.9-173.80000111.4A85 D86 C87 Q92 R93A85-S89 PolarHBondContact O-N 3.47Å; D86-S89 WeakPolarHBondContact O-CB 3.4Å; D86-S89 PolarHBondContact O-N 2.86Å; C87-S89 PolarHBondContact O-N 3.26Å; S89-Q92 PolarHBondContact O-N 3.03Å; S89-R93 PolarHBondContact O-N 2.9Å
90Q98.3Very high98Very high3 Ų349.9 Ų49.91%0.01425%0.254CS..Hα-helixtrans-66.3-40.3179.1-157.5-178.326.900112.1D86 C87 Q92 R93 A94 N122 L134 C136 M138 T154D86-Q90 PolarHBondContact O-N 2.85Å; C87-Q90 PolarHBondContact O-N 2.88Å; Q90-Q92 PolarHBondContact O-N 2.92Å; Q90-R93 PolarHBondContact O-N 2.86Å; Q90-A94 WeakPolarHBondContact O-CB 3.35Å; Q90-A94 PolarHBondContact O-N 3.41Å; Q90-N122 PolarHBondContact NE2-ND2 3.07Å; Q90-N122 PolarHBondContact NE2-OD1 3.39Å; Q90-L134 HydrophobicContact CB-CD1 4.21Å; Q90-L134 HydrophobicContact CG-CD1 4.34Å; Q90-C136 PolarHBondContact OE1-SG 2.95Å; Q90-M138 HydrophobicContact CB-CE 4.13Å; Q90-M138 HydrophobicContact CG-CE 3.97Å; Q90-T154 PolarHBondContact NE2-OG1 3.22Å
91V98.6Very high98Very high4 Ų451.8 Ų51.82%0.02426%0.261CS..Hα-helixtrans-59.8-44.9173.3168.10000111.1F70 L72 V80 C87 R88 R93 A94 R95 M138F70-V91 HydrophobicContact CB-CG1 3.93Å; F70-V91 HydrophobicContact CB-CG2 4.3Å; F70-V91 HydrophobicContact CD1-CG1 4.39Å; F70-V91 HydrophobicContact CD2-CG1 4.49Å; F70-V91 HydrophobicContact CD2-CG2 3.71Å; F70-V91 HydrophobicContact CE2-CG2 4.29Å; F70-V91 HydrophobicContact CG-CG1 4.02Å; F70-V91 HydrophobicContact CG-CG2 4.07Å; L72-V91 HydrophobicContact CD2-CG1 3.91Å; V80-V91 HydrophobicContact CG1-CG2 3.84Å; C87-V91 VanDerWaalsContact O-CG2 3.28Å; C87-V91 WeakPolarHBondContact O-CG2 3.41Å; C87-V91 PolarHBondContact O-N 3.47Å; R88-V91 PolarHBondContact O-N 2.98Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 3.21Å; V91-A94 WeakPolarHBondContact O-CB 3.29Å; V91-A94 PolarHBondContact O-N 3.4Å; V91-R95 WeakPolarHBondContact O-CG 3.36Å; V91-R95 PolarHBondContact O-N 2.98Å; V91-M138 HydrophobicContact CG2-CE 3.87Å
92Q98.7Very high98Very high117 Ų11755.7 Ų55.755%0.54728%0.282SS..Hα-helixtrans-65.2-39.2178.3-172.859.817.400111.7R88 S89 Q90 R95 Y96R88-Q92 WeakPolarHBondContact O-CB 3.35Å; R88-Q92 PolarHBondContact O-N 3.28Å; S89-Q92 PolarHBondContact O-N 3.03Å; Q90-Q92 PolarHBondContact O-N 2.92Å; Q92-R95 PolarHBondContact O-N 3.09Å; Q92-Y96 PolarHBondContact O-N 3.31Å
93R98.5Very high98.1Very high92 Ų9265.7 Ų65.735%0.34732%0.321SS..Hα-helixtrans-63.8-41174-176.655.1174.2-160.9-8.5111.9S89 Q90 V91 Y96 E97 L118 I121S89-R93 PolarHBondContact O-N 2.9Å; Q90-R93 PolarHBondContact O-N 2.86Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 3.21Å; R93-Y96 PolarHBondContact O-N 3.49Å; R93-E97 HydrophobicContact CG-CG 4.43Å; R93-E97 IonicContact CZ-OE1 3.67Å; R93-E97 IonicContact NE-OE1 2.89Å; R93-E97 PolarHBondContact NE-OE1 2.93Å; R93-E97 VanDerWaalsContact NE-OE1 3.08Å; R93-E97 IonicContact NH1-OE1 2.66Å; R93-E97 IonicContact NH2-OE1 3.15Å; R93-E97 PolarHBondContact NH2-OE1 3.41Å; R93-E97 WeakPolarHBondContact O-CG 3.11Å; R93-E97 PolarHBondContact O-N 2.99Å; R93-L118 HydrophobicContact CG-CD2 4.28Å; R93-I121 HydrophobicContact CG-CD1 3.96Å; R93-I121 VanDerWaalsContact NE-CD1 3.33Å
94A98.8Very high98.2Very high0 Ų070.6 Ų70.60%033%0.334CS..Hα-helixtrans-61.1-46.3177.100000111.9L72 Q90 V91 Y96 E97 A98 L118L72-A94 HydrophobicContact CD1-CB 3.92Å; L72-A94 HydrophobicContact CD2-CB 3.85Å; L72-A94 HydrophobicContact CG-CB 4.48Å; Q90-A94 WeakPolarHBondContact O-CB 3.35Å; Q90-A94 PolarHBondContact O-N 3.41Å; V91-A94 WeakPolarHBondContact O-CB 3.29Å; V91-A94 PolarHBondContact O-N 3.4Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 3.21Å; A94-E97 PolarHBondContact O-N 2.65Å; A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 2.67Å; A94-L118 HydrophobicContact CB-CD1 3.71Å; A94-L118 HydrophobicContact CB-CD2 3.95Å; A94-L118 HydrophobicContact CB-CG 4.34Å
95R98.7Very high98.3Very high93 Ų9371.9 Ų71.935%0.35133%0.331SS..Hα-helixtrans-57.9-45173.7-72.7172.5174.3163.8-1.6112.2R71 L72 V91 Q92 A98 A99R71-R95 PolarHBondContact O-NE 3.37Å; R71-R95 PolarHBondContact O-NH2 3.4Å; L72-R95 HydrophobicContact CD2-CG 4.1Å; V91-R95 WeakPolarHBondContact O-CG 3.36Å; V91-R95 PolarHBondContact O-N 2.98Å; Q92-R95 PolarHBondContact O-N 3.09Å; R95-A98 PolarHBondContact O-N 2.88Å; R95-A99 WeakPolarHBondContact O-CB 3.43Å; R95-A99 PolarHBondContact O-N 2.91Å
96Y98.8Very high98.3Very high115 Ų11571.4 Ų71.445%0.45133%0.334SS..Hα-helixtrans-61.4-48.5177.6172-93.2000112.2Q92 R93 A94 A98 A99 K100Q92-Y96 PolarHBondContact O-N 3.31Å; R93-Y96 PolarHBondContact O-N 3.49Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 3.21Å; Y96-A98 VanDerWaalsContact C-N 3.35Å; Y96-A98 PolarHBondContact O-N 2.97Å; Y96-A99 PolarHBondContact O-N 3.43Å; Y96-K100 HydrophobicContact CE1-CD 3.84Å; Y96-K100 WeakPolarHBondContact O-CB 3.49Å; Y96-K100 PolarHBondContact O-N 3.46Å
97E98.7Very high98.2Very high14 Ų1476.7 Ų76.77%0.06535%0.354CS..Hα-helixtrans-65.8-38.1-179.5-68.3-71.3169.300111.5R93 A94 K100 W101 L114 R117 I121R93-E97 HydrophobicContact CG-CG 4.43Å; R93-E97 IonicContact CZ-OE1 3.67Å; R93-E97 IonicContact NE-OE1 2.89Å; R93-E97 PolarHBondContact NE-OE1 2.93Å; R93-E97 VanDerWaalsContact NE-OE1 3.08Å; R93-E97 IonicContact NH1-OE1 2.66Å; R93-E97 IonicContact NH2-OE1 3.15Å; R93-E97 PolarHBondContact NH2-OE1 3.41Å; R93-E97 WeakPolarHBondContact O-CG 3.11Å; R93-E97 PolarHBondContact O-N 2.99Å; A94-E97 PolarHBondContact O-N 2.65Å; E97-K100 PolarHBondContact O-N 3.06Å; E97-W101 WeakPolarHBondContact O-CB 3.34Å; E97-W101 PolarHBondContact O-N 2.89Å; E97-L114 HydrophobicContact CB-CD1 4.18Å; E97-R117 HydrophobicContact CB-CG 4.11Å; E97-R117 VanDerWaalsContact CD-NE 3.28Å; E97-R117 HydrophobicContact CG-CG 3.93Å; E97-R117 IonicContact OE1-CZ 3.64Å; E97-R117 IonicContact OE1-NE 3.11Å; E97-R117 PolarHBondContact OE1-NE 3.49Å; E97-R117 IonicContact OE1-NH2 2.62Å; E97-R117 PolarHBondContact OE1-NH2 3.28Å; E97-R117 IonicContact OE2-CZ 2.99Å; E97-R117 IonicContact OE2-NE 3.81Å; E97-R117 PolarHBondContact OE2-NE 2.93Å; E97-R117 IonicContact OE2-NH2 2.86Å; E97-I121 HydrophobicContact CG-CD1 4.02Å
98A98.6Very high98.1Very high4 Ų479.8 Ų79.83%0.03337%0.368CS..Hα-helixtrans-65.2-45.9175.100000112.7T73 A94 R95 Y96 W101 N102 I109 L114T73-A98 HydrophobicContact CG2-CB 3.59Å; A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 2.67Å; R95-A98 PolarHBondContact O-N 2.88Å; Y96-A98 VanDerWaalsContact C-N 3.35Å; Y96-A98 PolarHBondContact O-N 2.97Å; A98-W101 WeakPolarHBondContact O-CB 3.33Å; A98-W101 PolarHBondContact O-N 2.88Å; A98-N102 PolarHBondContact O-N 3.38Å; A98-N102 VanDerWaalsContact O-N 3.16Å; A98-I109 HydrophobicContact CB-CG2 3.71Å; A98-L114 HydrophobicContact CB-CD1 4.26Å; A98-L114 HydrophobicContact CB-CD2 4.32Å
99A98.5Very high98.1Very high64 Ų6473.2 Ų73.253%0.52934%0.343SS..Hα-helixtrans-64.7-41.2176.300000111.8R95 Y96 W101 N102 Y103R95-A99 WeakPolarHBondContact O-CB 3.43Å; R95-A99 PolarHBondContact O-N 2.91Å; Y96-A99 PolarHBondContact O-N 3.43Å; A99-W101 VanDerWaalsContact C-N 3.32Å; A99-W101 PolarHBondContact O-N 3.17Å; A99-N102 PolarHBondContact O-N 3.2Å; A99-Y103 PolarHBondContact O-N 2.9Å
100K98.5Very high98.1Very high88 Ų8872 Ų7238%0.38333%0.333SS..Hα-helixtrans-62.2-39.1176.1-178.8178.3-179.31760112Y96 E97 R104Y96-K100 HydrophobicContact CE1-CD 3.84Å; Y96-K100 WeakPolarHBondContact O-CB 3.49Å; Y96-K100 PolarHBondContact O-N 3.46Å; E97-K100 PolarHBondContact O-N 3.06Å; K100-R104 WeakPolarHBondContact O-CB 3.32Å; K100-R104 PolarHBondContact O-N 3.35Å
101W98.6Very high98.1Very high41 Ų4172 Ų7216%0.15533%0.333CS..Hα-helixtrans-59.7-51.8174.5-179.8-75.2000111.1E97 A98 A99 Y103 R104 Y105 Y107 I109 M113E97-W101 WeakPolarHBondContact O-CB 3.34Å; E97-W101 PolarHBondContact O-N 2.89Å; A98-W101 WeakPolarHBondContact O-CB 3.33Å; A98-W101 PolarHBondContact O-N 2.88Å; A99-W101 VanDerWaalsContact C-N 3.32Å; A99-W101 PolarHBondContact O-N 3.17Å; W101-Y103 VanDerWaalsContact C-N 3.34Å; W101-Y103 PolarHBondContact O-N 3.38Å; W101-R104 PolarHBondContact O-N 3.33Å; W101-R104 VanDerWaalsContact O-N 3.11Å; W101-Y105 HydrophobicContact CB-CD2 4.4Å; W101-Y105 AromaticContact CD1-CD2 3.89Å; W101-Y105 AromaticContact CD2-CD2 3.47Å; W101-Y105 HydrophobicContact CD2-CD2 3.47Å; W101-Y105 VanDerWaalsContact CD2-CD2 3.47Å; W101-Y105 AromaticContact CD2-CE2 3.68Å; W101-Y105 HydrophobicContact CD2-CE2 3.68Å; W101-Y105 AromaticContact CE2-CD2 3.6Å; W101-Y105 AromaticContact CE3-CD2 3.94Å; W101-Y105 HydrophobicContact CE3-CD2 3.94Å; W101-Y105 AromaticContact CE3-CE2 3.62Å; W101-Y105 HydrophobicContact CE3-CE2 3.62Å; W101-Y105 AromaticContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CE2 4.21Å; W101-Y105 HydrophobicContact CH2-CE2 4.32Å; W101-Y105 HydrophobicContact CZ2-CD2 4.18Å; W101-Y105 HydrophobicContact CZ2-CE2 4.4Å; W101-Y105 HydrophobicContact CZ3-CD2 4.45Å; W101-Y105 AromaticContact CZ3-CE2 3.95Å; W101-Y105 HydrophobicContact CZ3-CE2 3.95Å; W101-Y105 AromaticContact NE1-CD2 3.82Å; W101-Y105 WeakPolarHBondContact O-CD2 3.2Å; W101-Y105 PolarHBondContact O-N 2.94Å; W101-Y107 VanDerWaalsContact CD1-O 3.27Å; W101-Y107 AromaticContact CE2-CE2 3.98Å; W101-Y107 AromaticContact CZ2-CE2 3.97Å; W101-Y107 HydrophobicContact CZ2-CE2 3.97Å; W101-Y107 AromaticContact CZ2-CZ 3.87Å; W101-Y107 VanDerWaalsContact CZ2-OH 3.3Å; W101-Y107 WeakPolarHBondContact CZ2-OH 3.31Å; W101-Y107 AromaticContact NE1-CD2 3.84Å; W101-Y107 AromaticContact NE1-CE2 3.36Å; W101-Y107 AromaticContact NE1-CZ 3.63Å; W101-I109 HydrophobicContact CB-CB 3.91Å; W101-I109 HydrophobicContact CB-CD1 3.92Å; W101-I109 HydrophobicContact CB-CG1 4.21Å; W101-I109 HydrophobicContact CD2-CB 3.92Å; W101-I109 HydrophobicContact CD2-CD1 3.7Å; W101-I109 HydrophobicContact CD2-CG1 3.55Å; W101-I109 HydrophobicContact CE3-CD1 3.55Å; W101-I109 HydrophobicContact CE3-CG1 3.82Å; W101-I109 HydrophobicContact CG-CB 3.54Å; W101-I109 HydrophobicContact CG-CD1 3.88Å; W101-I109 HydrophobicContact CG-CG1 3.73Å; W101-I109 HydrophobicContact CZ2-CG1 4.49Å; W101-I109 HydrophobicContact CZ3-CD1 4.29Å; W101-I109 HydrophobicContact CZ3-CG1 4.42Å; W101-M113 HydrophobicContact CH2-CB 4.03Å; W101-M113 HydrophobicContact CH2-CE 3.74Å; W101-M113 HydrophobicContact CH2-CG 3.9Å; W101-M113 HydrophobicContact CZ3-CB 4.15Å; W101-M113 HydrophobicContact CZ3-CE 3.71Å; W101-M113 HydrophobicContact CZ3-CG 4.42Å
102N97.5Very high98Very high82 Ų8273.6 Ų73.644%0.43934%0.342SS..Hα-helixtrans-60-44.9179.8-169.35.2000111.4A98 A99 R104 G106 Y107A98-N102 PolarHBondContact O-N 3.38Å; A98-N102 VanDerWaalsContact O-N 3.16Å; A99-N102 PolarHBondContact O-N 3.2Å; N102-R104 VanDerWaalsContact C-N 3.3Å; N102-R104 PolarHBondContact O-N 2.69Å; N102-G106 VanDerWaalsContact O-CA 3.31Å; N102-G106 WeakPolarHBondContact O-CA 3.28Å; N102-G106 PolarHBondContact O-N 3.27Å; N102-Y107 WeakPolarHBondContact CA-O 3.32Å
103Y98.2Very high98Very high213 Ų21371.1 Ų71.184%0.83533%0.331SS*.Hα-helixtrans-57.6-40.7174.9176.4-104.6000113.1A99 W101A99-Y103 PolarHBondContact O-N 2.9Å; W101-Y103 VanDerWaalsContact C-N 3.34Å; W101-Y103 PolarHBondContact O-N 3.38Å
104R98.3Very high98Very high173 Ų17366.8 Ų66.865%0.65332%0.315SS*.Hα-helixtrans-80.4-38.7-175.3-176.1174.8179.3174.31.1113.5K100 W101 N102K100-R104 WeakPolarHBondContact O-CB 3.32Å; K100-R104 PolarHBondContact O-N 3.35Å; W101-R104 PolarHBondContact O-N 3.33Å; W101-R104 VanDerWaalsContact O-N 3.11Å; N102-R104 VanDerWaalsContact C-N 3.3Å; N102-R104 PolarHBondContact O-N 2.69Å
105Y97.9Very high98Very high105 Ų10566.8 Ų66.841%0.41232%0.315SS..Hα-helixtrans-112-12.5-169.1-56-63.7000113.8W101 Y107W101-Y105 HydrophobicContact CB-CD2 4.4Å; W101-Y105 AromaticContact CD1-CD2 3.89Å; W101-Y105 AromaticContact CD2-CD2 3.47Å; W101-Y105 HydrophobicContact CD2-CD2 3.47Å; W101-Y105 VanDerWaalsContact CD2-CD2 3.47Å; W101-Y105 AromaticContact CD2-CE2 3.68Å; W101-Y105 HydrophobicContact CD2-CE2 3.68Å; W101-Y105 AromaticContact CE2-CD2 3.6Å; W101-Y105 AromaticContact CE3-CD2 3.94Å; W101-Y105 HydrophobicContact CE3-CD2 3.94Å; W101-Y105 AromaticContact CE3-CE2 3.62Å; W101-Y105 HydrophobicContact CE3-CE2 3.62Å; W101-Y105 AromaticContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CE2 4.21Å; W101-Y105 HydrophobicContact CH2-CE2 4.32Å; W101-Y105 HydrophobicContact CZ2-CD2 4.18Å; W101-Y105 HydrophobicContact CZ2-CE2 4.4Å; W101-Y105 HydrophobicContact CZ3-CD2 4.45Å; W101-Y105 AromaticContact CZ3-CE2 3.95Å; W101-Y105 HydrophobicContact CZ3-CE2 3.95Å; W101-Y105 AromaticContact NE1-CD2 3.82Å; W101-Y105 WeakPolarHBondContact O-CD2 3.2Å; W101-Y105 PolarHBondContact O-N 2.94Å; Y105-Y107 HydrophobicContact CG-CE1 4.47Å; Y105-Y107 VanDerWaalsContact O-CD1 3.31Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.3Å
106G97.4Very high98Very high65 Ų6567.5 Ų67.567%0.6732%0.32SS*.SBendtrans78.712.2174.900000115.5N102N102-G106 VanDerWaalsContact O-CA 3.31Å; N102-G106 WeakPolarHBondContact O-CA 3.28Å; N102-G106 PolarHBondContact O-N 3.27Å
107Y96.5Very high98Very high123 Ų12366.3 Ų66.348%0.48232%0.315SS..SBendtrans-143.1162.717565.1-87.2000111.2W101 N102 Y105W101-Y107 VanDerWaalsContact CD1-O 3.27Å; W101-Y107 AromaticContact CE2-CE2 3.98Å; W101-Y107 AromaticContact CZ2-CE2 3.97Å; W101-Y107 HydrophobicContact CZ2-CE2 3.97Å; W101-Y107 AromaticContact CZ2-CZ 3.87Å; W101-Y107 VanDerWaalsContact CZ2-OH 3.3Å; W101-Y107 WeakPolarHBondContact CZ2-OH 3.31Å; W101-Y107 AromaticContact NE1-CD2 3.84Å; W101-Y107 AromaticContact NE1-CE2 3.36Å; W101-Y107 AromaticContact NE1-CZ 3.63Å; N102-Y107 WeakPolarHBondContact CA-O 3.32Å; Y105-Y107 HydrophobicContact CG-CE1 4.47Å; Y105-Y107 VanDerWaalsContact O-CD1 3.31Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.3Å
108E95.7Very high98Very high67 Ų6765.7 Ų65.731%0.31331%0.312SS..PPolyproline II helixtrans-67137.4-179.7-167.3173-170.300111.6T73 R75T73-E108 VanDerWaalsContact CB-OE1 3.3Å; T73-E108 WeakPolarHBondContact CB-OE1 3.26Å; T73-E108 PolarHBondContact OG1-OE1 3.43Å; R75-E108 WeakPolarHBondContact CD-OE2 3.36Å
109I97.9Very high98Very high7 Ų765.7 Ų65.74%0.03631%0.312CS..PPolyproline II helixtrans-64.3141.6176.3-166.3167.5000110.2I76 A98 W101 M113 L114I76-I109 HydrophobicContact CD1-CG2 3.77Å; I76-I109 WeakPolarHBondContact CD1-O 3.35Å; A98-I109 HydrophobicContact CB-CG2 3.71Å; W101-I109 HydrophobicContact CB-CB 3.91Å; W101-I109 HydrophobicContact CB-CD1 3.92Å; W101-I109 HydrophobicContact CB-CG1 4.21Å; W101-I109 HydrophobicContact CD2-CB 3.92Å; W101-I109 HydrophobicContact CD2-CD1 3.7Å; W101-I109 HydrophobicContact CD2-CG1 3.55Å; W101-I109 HydrophobicContact CE3-CD1 3.55Å; W101-I109 HydrophobicContact CE3-CG1 3.82Å; W101-I109 HydrophobicContact CG-CB 3.54Å; W101-I109 HydrophobicContact CG-CD1 3.88Å; W101-I109 HydrophobicContact CG-CG1 3.73Å; W101-I109 HydrophobicContact CZ2-CG1 4.49Å; W101-I109 HydrophobicContact CZ3-CD1 4.29Å; W101-I109 HydrophobicContact CZ3-CG1 4.42Å; I109-M113 HydrophobicContact CD1-CB 4.29Å; I109-M113 HydrophobicContact CG1-CB 3.94Å; I109-L114 HydrophobicContact CD1-CB 3.85Å; I109-L114 HydrophobicContact CD1-CD1 4.14Å; I109-L114 HydrophobicContact CG1-CB 4.23Å; I109-L114 HydrophobicContact CG2-CB 4.26Å; I109-L114 HydrophobicContact CG2-CD2 4.46Å
110T97.4Very high98Very high43 Ų4366.4 Ų66.426%0.26431%0.307SS..PPolyproline II helixtrans-79.8151.2171.160.70000110.6D112 M113 L114T110-D112 VanDerWaalsContact C-N 3.28Å; T110-D112 WeakPolarHBondContact CB-OD1 3.28Å; T110-D112 PolarHBondContact O-N 2.91Å; T110-D112 PolarHBondContact OG1-OD1 3.34Å; T110-M113 PolarHBondContact O-N 2.97Å; T110-M113 VanDerWaalsContact O-N 3.16Å; T110-M113 WeakPolarHBondContact OG1-CB 3.48Å; T110-M113 WeakPolarHBondContact OG1-CG 3.17Å; T110-L114 PolarHBondContact O-N 3.36Å
111V98.1Very high97.9Very high2 Ų263 Ų631%0.01229%0.293CS..Hα-helixtrans-63.5-33.1-174.866.40000113.1I76 L114 A115 L140 A142 L150I76-V111 HydrophobicContact CG2-CG2 4.26Å; V111-L114 PolarHBondContact O-N 2.89Å; V111-A115 VanDerWaalsContact O-CB 3.27Å; V111-A115 WeakPolarHBondContact O-CB 3.26Å; V111-A115 PolarHBondContact O-N 2.84Å; V111-L140 HydrophobicContact CG2-CB 3.55Å; V111-A142 HydrophobicContact CB-CB 3.79Å; V111-A142 HydrophobicContact CG1-CB 4.07Å; V111-A142 HydrophobicContact CG2-CB 4.28Å; V111-L150 HydrophobicContact CG1-CB 3.54Å; V111-L150 HydrophobicContact CG1-CD1 3.94Å; V111-L150 HydrophobicContact CG1-CG 4.41Å
112D97.5Very high97.9Very high38 Ų3861.2 Ų61.220%0.20329%0.286CS..Hα-helixtrans-66.2-41.2175.158.9-27.1000111.9T110 K116 K147 H152T110-D112 VanDerWaalsContact C-N 3.28Å; T110-D112 WeakPolarHBondContact CB-OD1 3.28Å; T110-D112 PolarHBondContact O-N 2.91Å; T110-D112 PolarHBondContact OG1-OD1 3.34Å; D112-K116 WeakPolarHBondContact O-CB 3.32Å; D112-K116 PolarHBondContact O-N 2.86Å; D112-K147 IonicContact OD2-NZ 2.69Å; D112-K147 PolarHBondContact OD2-NZ 3.48Å; D112-K147 VanDerWaalsContact OD2-NZ 3.11Å; D112-H152 VanDerWaalsContact CB-CE1 3.49Å; D112-H152 WeakPolarHBondContact CB-CE1 3.03Å
113M97.8Very high97.9Very high65 Ų6560.8 Ų60.832%0.3228%0.281SS..Hα-helixtrans-69.4-38.8176-74.5-55.2-57.700112.4W101 I109 T110 K116 R117W101-M113 HydrophobicContact CH2-CB 4.03Å; W101-M113 HydrophobicContact CH2-CE 3.74Å; W101-M113 HydrophobicContact CH2-CG 3.9Å; W101-M113 HydrophobicContact CZ3-CB 4.15Å; W101-M113 HydrophobicContact CZ3-CE 3.71Å; W101-M113 HydrophobicContact CZ3-CG 4.42Å; I109-M113 HydrophobicContact CD1-CB 4.29Å; I109-M113 HydrophobicContact CG1-CB 3.94Å; T110-M113 PolarHBondContact O-N 2.97Å; T110-M113 VanDerWaalsContact O-N 3.16Å; T110-M113 WeakPolarHBondContact OG1-CB 3.48Å; T110-M113 WeakPolarHBondContact OG1-CG 3.17Å; M113-K116 PolarHBondContact O-N 2.82Å; M113-R117 WeakPolarHBondContact O-CB 3.22Å; M113-R117 PolarHBondContact O-N 2.86Å
114L98.6Very high97.9Very high0 Ų053.7 Ų53.70%026%0.26CS..Hα-helixtrans-64.5-45.7174.7-176.658.1000111.2L72 I76 E97 A98 I109 T110 V111 K116 R117 L118 L140L72-L114 HydrophobicContact CD1-CD2 3.96Å; I76-L114 HydrophobicContact CD1-CD2 3.96Å; I76-L114 HydrophobicContact CG2-CD2 4.16Å; E97-L114 HydrophobicContact CB-CD1 4.18Å; A98-L114 HydrophobicContact CB-CD1 4.26Å; A98-L114 HydrophobicContact CB-CD2 4.32Å; I109-L114 HydrophobicContact CD1-CB 3.85Å; I109-L114 HydrophobicContact CD1-CD1 4.14Å; I109-L114 HydrophobicContact CG1-CB 4.23Å; I109-L114 HydrophobicContact CG2-CB 4.26Å; I109-L114 HydrophobicContact CG2-CD2 4.46Å; T110-L114 PolarHBondContact O-N 3.36Å; V111-L114 PolarHBondContact O-N 2.89Å; L114-K116 PolarHBondContact O-N 3.39Å; L114-R117 PolarHBondContact O-N 3.31Å; L114-L118 HydrophobicContact CD1-CD1 4.45Å; L114-L118 HydrophobicContact CD1-CG 4.46Å; L114-L118 HydrophobicContact CG-CD1 4.26Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 2.93Å; L114-L140 HydrophobicContact CB-CD2 4.45Å; L114-L140 HydrophobicContact CD2-CD2 3.82Å; L114-L140 HydrophobicContact CG-CD2 3.91Å
115A98.5Very high97.9Very high0 Ų048.2 Ų48.20%024%0.24CC..Hα-helixtrans-61.4-44.2177.200000111.7V111 R117 L118 A119 L140 H152 T154 T160V111-A115 VanDerWaalsContact O-CB 3.27Å; V111-A115 WeakPolarHBondContact O-CB 3.26Å; V111-A115 PolarHBondContact O-N 2.84Å; A115-R117 PolarHBondContact O-N 3.34Å; A115-L118 PolarHBondContact O-N 2.9Å; A115-A119 WeakPolarHBondContact O-CB 3.43Å; A115-A119 PolarHBondContact O-N 2.81Å; A115-L140 HydrophobicContact CB-CD1 4.04Å; A115-H152 HydrophobicContact CB-CB 3.64Å; A115-T154 HydrophobicContact CB-CG2 4.23Å; A115-T154 WeakPolarHBondContact O-CG2 3.5Å; A115-T160 WeakPolarHBondContact CB-OG1 3.34Å
116K98.5Very high97.8Very high108 Ų10844 Ų4447%0.4723%0.225SC..Hα-helixtrans-58.2-47.6173.6-177.9177.7178.4178.60111.9D112 M113 L114 L118 A119 D120D112-K116 WeakPolarHBondContact O-CB 3.32Å; D112-K116 PolarHBondContact O-N 2.86Å; M113-K116 PolarHBondContact O-N 2.82Å; L114-K116 PolarHBondContact O-N 3.39Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 2.98Å; K116-A119 WeakPolarHBondContact O-CB 3.39Å; K116-A119 PolarHBondContact O-N 2.89Å; K116-D120 VanDerWaalsContact O-CG 3.26Å; K116-D120 PolarHBondContact O-N 3.36Å
117R98.5Very high97.8Very high91 Ų9147.2 Ų47.234%0.34322%0.223SC..Hα-helixtrans-61.1-41.4-179.7-179.856.5179.2152.411.3112.3E97 M113 L114 A115 I121E97-R117 HydrophobicContact CB-CG 4.11Å; E97-R117 VanDerWaalsContact CD-NE 3.28Å; E97-R117 HydrophobicContact CG-CG 3.93Å; E97-R117 IonicContact OE1-CZ 3.64Å; E97-R117 IonicContact OE1-NE 3.11Å; E97-R117 PolarHBondContact OE1-NE 3.49Å; E97-R117 IonicContact OE1-NH2 2.62Å; E97-R117 PolarHBondContact OE1-NH2 3.28Å; E97-R117 IonicContact OE2-CZ 2.99Å; E97-R117 IonicContact OE2-NE 3.81Å; E97-R117 PolarHBondContact OE2-NE 2.93Å; E97-R117 IonicContact OE2-NH2 2.86Å; M113-R117 WeakPolarHBondContact O-CB 3.22Å; M113-R117 PolarHBondContact O-N 2.86Å; L114-R117 PolarHBondContact O-N 3.31Å; A115-R117 PolarHBondContact O-N 3.34Å; R117-I121 HydrophobicContact CG-CD1 4.29Å; R117-I121 WeakPolarHBondContact O-CD1 3.47Å; R117-I121 VanDerWaalsContact O-CG1 3.31Å; R117-I121 WeakPolarHBondContact O-CG1 3.15Å; R117-I121 PolarHBondContact O-N 3.12Å; R117-I121 VanDerWaalsContact O-N 3.15Å
118L98.6Very high97.8Very high1 Ų144 Ų441%0.00521%0.214CC..Hα-helixtrans-67.4-40.3176.2-72.7173000112.1R93 A94 L114 A115 K116 I121 N122 M138 L140 T154R93-L118 HydrophobicContact CG-CD2 4.28Å; A94-L118 HydrophobicContact CB-CD1 3.71Å; A94-L118 HydrophobicContact CB-CD2 3.95Å; A94-L118 HydrophobicContact CB-CG 4.34Å; L114-L118 HydrophobicContact CD1-CD1 4.45Å; L114-L118 HydrophobicContact CD1-CG 4.46Å; L114-L118 HydrophobicContact CG-CD1 4.26Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 2.93Å; A115-L118 PolarHBondContact O-N 2.9Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 2.98Å; L118-I121 PolarHBondContact O-N 2.98Å; L118-N122 PolarHBondContact O-N 2.89Å; L118-N122 PolarHBondContact O-OD1 2.99Å; L118-M138 HydrophobicContact CD1-SD 3.97Å; L118-L140 HydrophobicContact CD1-CD1 4.49Å; L118-L140 HydrophobicContact CD1-CD2 3.96Å; L118-T154 HydrophobicContact CB-CG2 3.87Å
119A98.5Very high97.7Very high3 Ų343.1 Ų43.13%0.02522%0.218CC..Hα-helixtrans-62.1-43.8174.800000111.9A115 K116 I121 N122 Q123 T154 G158 T160A115-A119 WeakPolarHBondContact O-CB 3.43Å; A115-A119 PolarHBondContact O-N 2.81Å; K116-A119 WeakPolarHBondContact O-CB 3.39Å; K116-A119 PolarHBondContact O-N 2.89Å; A119-I121 VanDerWaalsContact C-N 3.3Å; A119-I121 PolarHBondContact O-N 3.12Å; A119-N122 PolarHBondContact O-N 3.3Å; A119-N122 VanDerWaalsContact O-N 3.17Å; A119-Q123 PolarHBondContact O-N 3.29Å; A119-T154 HydrophobicContact CB-CG2 4.45Å; A119-G158 WeakPolarHBondContact CB-O 3.03Å; A119-G158 VanDerWaalsContact O-CA 3.28Å; A119-G158 WeakPolarHBondContact O-CA 3.15Å; A119-T160 HydrophobicContact CB-CG2 3.93Å
120D98.5Very high97.5Very high79 Ų7949.3 Ų49.342%0.42225%0.247SC..Hα-helixtrans-60.1-39.3174.8-66.3-21.6000111.6K116 Q123 V124K116-D120 VanDerWaalsContact O-CG 3.26Å; K116-D120 PolarHBondContact O-N 3.36Å; D120-Q123 PolarHBondContact O-N 3.14Å; D120-V124 PolarHBondContact O-N 3.38Å
121I98.2Very high97.4Very high17 Ų1751 Ų519%0.08725%0.254CS..Hα-helixtrans-66.8-44175.3-68.5158.1000110.8R93 E97 R117 L118 A119 Q123 V124 Y125R93-I121 HydrophobicContact CG-CD1 3.96Å; R93-I121 VanDerWaalsContact NE-CD1 3.33Å; E97-I121 HydrophobicContact CG-CD1 4.02Å; R117-I121 HydrophobicContact CG-CD1 4.29Å; R117-I121 WeakPolarHBondContact O-CD1 3.47Å; R117-I121 VanDerWaalsContact O-CG1 3.31Å; R117-I121 WeakPolarHBondContact O-CG1 3.15Å; R117-I121 PolarHBondContact O-N 3.12Å; R117-I121 VanDerWaalsContact O-N 3.15Å; L118-I121 PolarHBondContact O-N 2.98Å; A119-I121 VanDerWaalsContact C-N 3.3Å; A119-I121 PolarHBondContact O-N 3.12Å; I121-Q123 VanDerWaalsContact C-N 3.26Å; I121-Q123 PolarHBondContact O-N 3.03Å; I121-V124 WeakPolarHBondContact O-CB 3.43Å; I121-V124 PolarHBondContact O-N 3.48Å; I121-Y125 HydrophobicContact CG2-CE2 4.12Å
122N98.1Very high97.3Very high3 Ų356.9 Ų56.92%0.01628%0.276CS..Hα-helixtrans-62.2-36.4177.8-76.67.5000111.7Q90 L118 A119 V124 Y125 T126 D155Q90-N122 PolarHBondContact NE2-ND2 3.07Å; Q90-N122 PolarHBondContact NE2-OD1 3.39Å; L118-N122 PolarHBondContact O-N 2.89Å; L118-N122 PolarHBondContact O-OD1 2.99Å; A119-N122 PolarHBondContact O-N 3.3Å; A119-N122 VanDerWaalsContact O-N 3.17Å; N122-V124 VanDerWaalsContact C-N 3.26Å; N122-V124 PolarHBondContact O-N 3.19Å; N122-Y125 WeakPolarHBondContact O-CB 3.35Å; N122-Y125 PolarHBondContact O-N 3.44Å; N122-Y125 VanDerWaalsContact O-N 3.07Å; N122-T126 PolarHBondContact O-N 3.18Å; N122-D155 PolarHBondContact ND2-O 3.17Å
123Q98.1Very high97.3Very high73 Ų7355.2 Ų55.234%0.34127%0.267SS..Hα-helixtrans-61.3-33.4176.6-172.1-79.9-24.400112.2A119 D120 I121 Y125 T126 Q127A119-Q123 PolarHBondContact O-N 3.29Å; D120-Q123 PolarHBondContact O-N 3.14Å; I121-Q123 VanDerWaalsContact C-N 3.26Å; I121-Q123 PolarHBondContact O-N 3.03Å; Q123-Y125 VanDerWaalsContact C-N 3.25Å; Q123-Y125 PolarHBondContact O-N 3.46Å; Q123-T126 PolarHBondContact O-N 2.93Å; Q123-T126 PolarHBondContact O-OG1 3.31Å; Q123-Q127 PolarHBondContact O-N 2.87Å
124V98.1Very high97.3Very high64 Ų6453.1 Ų53.139%0.38826%0.257SS..Hα-helixtrans-59.3-39.4174.3178.80000111D120 I121 N122 T126 Q127 N128D120-V124 PolarHBondContact O-N 3.38Å; I121-V124 WeakPolarHBondContact O-CB 3.43Å; I121-V124 PolarHBondContact O-N 3.48Å; N122-V124 VanDerWaalsContact C-N 3.26Å; N122-V124 PolarHBondContact O-N 3.19Å; V124-T126 PolarHBondContact O-N 3.03Å; V124-Q127 PolarHBondContact O-N 3.06Å; V124-N128 WeakPolarHBondContact O-CB 3.13Å; V124-N128 PolarHBondContact O-N 3.41Å
125Y97.1Very high97.3Very high58 Ų5853.1 Ų53.123%0.22726%0.257CS..Hα-helixtrans-69.1-16.4177-53.5-46.2000113.8I121 N122 Q123 L131 L134I121-Y125 HydrophobicContact CG2-CE2 4.12Å; N122-Y125 WeakPolarHBondContact O-CB 3.35Å; N122-Y125 PolarHBondContact O-N 3.44Å; N122-Y125 VanDerWaalsContact O-N 3.07Å; Q123-Y125 VanDerWaalsContact C-N 3.25Å; Q123-Y125 PolarHBondContact O-N 3.46Å; Y125-L131 HydrophobicContact CD1-CB 4.12Å; Y125-L131 HydrophobicContact CD1-CD1 3.81Å; Y125-L131 HydrophobicContact CE1-CD1 3.98Å; Y125-L134 HydrophobicContact CD2-CG 4.06Å; Y125-L134 HydrophobicContact CE2-CD1 3.91Å; Y125-L134 HydrophobicContact CE2-CG 3.86Å
126T97Very high97.2Very high16 Ų1653.1 Ų53.110%0.09826%0.257CS..Hα-helixtrans-91-13.4176.473.40000112.8T14 V25 N122 Q123 V124 P133 P156T14-T126 WeakPolarHBondContact CB-O 3.32Å; V25-T126 HydrophobicContact CG2-CG2 3.86Å; N122-T126 PolarHBondContact O-N 3.18Å; Q123-T126 PolarHBondContact O-N 2.93Å; Q123-T126 PolarHBondContact O-OG1 3.31Å; V124-T126 PolarHBondContact O-N 3.03Å; T126-P133 HydrophobicContact CG2-CG 4.33Å; T126-P156 VanDerWaalsContact CG2-O 3.31Å; T126-P156 WeakPolarHBondContact CG2-O 3.42Å
127Q96.7Very high97.2Very high134 Ų13448.2 Ų48.263%0.62624%0.236SC*.Hα-helixtrans-108.9-27.2-177.8-168169.43.800113Q123 V124Q123-Q127 PolarHBondContact O-N 2.87Å; V124-Q127 PolarHBondContact O-N 3.06Å
128N95.6Very high97.2Very high56 Ų5643.9 Ų43.930%0.29922%0.22SC..  trans-88.1123.5176.3-77.224.7000110.7T14 V124 E130T14-N128 PolarHBondContact OG1-O 3.13Å; T14-N128 VanDerWaalsContact OG1-O 3.05Å; V124-N128 WeakPolarHBondContact O-CB 3.13Å; V124-N128 PolarHBondContact O-N 3.41Å; N128-E130 VanDerWaalsContact C-N 3.33Å; N128-E130 WeakPolarHBondContact CB-OE1 3.42Å; N128-E130 PolarHBondContact ND2-OE1 3.49Å; N128-E130 PolarHBondContact O-N 3.09Å
129A94.3Very high97.2Very high47 Ų4743.8 Ų43.839%0.38822%0.22SC..THydrogen-bonded Turntrans-75.9-20.1-175.300000113.7I13 T14 L131I13-A129 HydrophobicContact CB-CB 4.32Å; I13-A129 HydrophobicContact CD1-CB 4.26Å; T14-A129 WeakPolarHBondContact OG1-CA 3.35Å; A129-L131 VanDerWaalsContact C-N 3.3Å
130E95Very high97.2Very high138 Ų13843.7 Ų43.765%0.64522%0.219SC*.THydrogen-bonded Turntrans-81.3-9.1-17972.4-72.7175.900113.8N128N128-E130 VanDerWaalsContact C-N 3.33Å; N128-E130 WeakPolarHBondContact CB-OE1 3.42Å; N128-E130 PolarHBondContact ND2-OE1 3.49Å; N128-E130 PolarHBondContact O-N 3.09Å
131L94.5Very high97.2Very high79 Ų7939.9 Ų39.941%0.41420%0.198SC..SBendtrans-122.1148.9179.5-63.8171000110.2Y125 A129Y125-L131 HydrophobicContact CD1-CB 4.12Å; Y125-L131 HydrophobicContact CD1-CD1 3.81Å; Y125-L131 HydrophobicContact CE1-CD1 3.98Å; A129-L131 VanDerWaalsContact C-N 3.3Å
132R96.4Very high97.2Very high124 Ų12439.4 Ų39.447%0.46820%0.197SC..PPolyproline II helixtrans-92.6148.5168.464.4169.7-175.378.1-1.4110.1D86D86-R132 IonicContact OD1-CZ 3.74Å; D86-R132 IonicContact OD1-NH1 3.61Å; D86-R132 IonicContact OD1-NH2 2.91Å; D86-R132 PolarHBondContact OD1-NH2 3.49Å; D86-R132 IonicContact OD2-CZ 3.65Å; D86-R132 IonicContact OD2-NH1 3.96Å; D86-R132 PolarHBondContact OD2-NH1 2.96Å; D86-R132 IonicContact OD2-NH2 3.2Å; D86-R132 PolarHBondContact OD2-NH2 2.96Å
133P97.6Very high97.2Very high4 Ų439.9 Ų39.93%0.02620%0.199CC..PPolyproline II helixtrans-55.5148.4163.9-23.233.5000111.3T14 V25 A28 T126 G135 P156T14-P133 HydrophobicContact CG2-CG 4.36Å; V25-P133 HydrophobicContact CG2-CG 4.14Å; A28-P133 HydrophobicContact CB-CB 3.93Å; T126-P133 HydrophobicContact CG2-CG 4.33Å; P133-G135 PolarHBondContact O-N 3.13Å; P133-P156 HydrophobicContact CB-CB 4.26Å
134L97.6Very high97.1Very high20 Ų2037.4 Ų37.411%0.10519%0.188CC..PPolyproline II helixtrans-68.5131.2172.2-62.5-177.8000109.2D86 Q90 Y125 C136 P156D86-L134 HydrophobicContact CB-CB 4.24Å; D86-L134 HydrophobicContact CB-CD2 4.22Å; Q90-L134 HydrophobicContact CB-CD1 4.21Å; Q90-L134 HydrophobicContact CG-CD1 4.34Å; Y125-L134 HydrophobicContact CD2-CG 4.06Å; Y125-L134 HydrophobicContact CE2-CD1 3.91Å; Y125-L134 HydrophobicContact CE2-CG 3.86Å; L134-C136 PolarHBondContact O-N 3.01Å; L134-P156 VanDerWaalsContact O-CB 3.3Å; L134-P156 WeakPolarHBondContact O-CB 3.34Å; L134-P156 VanDerWaalsContact O-CG 3.28Å; L134-P156 WeakPolarHBondContact O-CG 3.26Å
135G97.4Very high96.8Very high1 Ų141.2 Ų41.21%0.0121%0.205CC..SBendtrans-81.843.6177.300000112G82 L83 D86 P133G82-G135 CarbonylContact C-O 3.59Å; G82-G135 VanDerWaalsContact CA-O 3.3Å; G82-G135 WeakPolarHBondContact CA-O 3.39Å; L83-G135 PolarHBondContact N-O 2.77Å; D86-G135 PolarHBondContact OD2-N 3.31Å; P133-G135 PolarHBondContact O-N 3.13Å
136C97.4Very high96.7Very high0 Ų047 Ų470%023%0.234CC..EExtended strand (participates in β ladder)trans-137150.9-179.764.20000111.7V81 D86 C87 Q90 L134V81-C136 CarbonylContact O-C 3.56Å; V81-C136 VanDerWaalsContact O-CA 3.28Å; V81-C136 WeakPolarHBondContact O-CA 3.23Å; D86-C136 HydrophobicContact CB-CB 4.17Å; C87-C136 HydrophobicContact CB-CB 4.41Å; C87-C136 WeakPolarHBondContact SG-CB 3.49Å; Q90-C136 PolarHBondContact OE1-SG 2.95Å; L134-C136 PolarHBondContact O-N 3.01Å
137S97.6Very high96.5Very high4 Ų451.8 Ų51.83%0.02825%0.254CS..EExtended strand (participates in β ladder)trans-125.7147.2168-59.10000109.3V80 V81 T154V80-S137 WeakPolarHBondContact CA-O 3.47Å; V81-S137 PolarHBondContact N-O 3.15Å; V81-S137 PolarHBondContact O-N 3.33Å; S137-T154 WeakPolarHBondContact CA-O 3.46Å
138M98.4Very high96.5Very high0 Ų046.2 Ų46.20%023%0.232CC..EExtended strand (participates in β ladder)trans-124.8134.4-175.7-176.8-178.8-70.300109.5L72 C78 T79 V80 Q90 V91 L118 L140 I153 T154L72-M138 HydrophobicContact CD1-SD 4.36Å; C78-M138 HydrophobicContact CB-CG 3.77Å; C78-M138 HydrophobicContact CB-SD 3.94Å; T79-M138 CarbonylContact O-C 3.55Å; T79-M138 WeakPolarHBondContact O-CA 3.24Å; V80-M138 HydrophobicContact CG1-CB 4.05Å; V80-M138 HydrophobicContact CG1-CE 3.63Å; V80-M138 HydrophobicContact CG1-CG 3.84Å; Q90-M138 HydrophobicContact CB-CE 4.13Å; Q90-M138 HydrophobicContact CG-CE 3.97Å; V91-M138 HydrophobicContact CG2-CE 3.87Å; L118-M138 HydrophobicContact CD1-SD 3.97Å; M138-L140 HydrophobicContact CB-CD1 4.4Å; M138-L140 HydrophobicContact CG-CD1 3.89Å; M138-L140 HydrophobicContact CG-CG 4.02Å; M138-L140 HydrophobicContact SD-CD1 3.87Å; M138-L140 HydrophobicContact SD-CD2 4.06Å; M138-L140 HydrophobicContact SD-CG 3.79Å; M138-I153 CarbonylContact O-C 3.6Å; M138-I153 WeakPolarHBondContact O-CA 3.38Å; M138-T154 PolarHBondContact N-O 2.97Å; M138-T154 PolarHBondContact O-N 3.37Å
139I98.6Very high96.6Very high0 Ų043.8 Ų43.80%022%0.219CC..EExtended strand (participates in β ladder)trans-97.7125161.2-53.6179.5000106.7T39 A41 C78 T79 F141 I151 H152 I153 I166 L168T39-I139 HydrophobicContact CG2-CD1 3.62Å; T39-I139 HydrophobicContact CG2-CG1 4.29Å; A41-I139 HydrophobicContact CB-CD1 4.16Å; A41-I139 HydrophobicContact CB-CG2 3.78Å; C78-I139 CarbonylContact C-O 3.56Å; C78-I139 WeakPolarHBondContact CA-O 3.34Å; C78-I139 WeakPolarHBondContact CB-O 3.43Å; T79-I139 PolarHBondContact N-O 2.78Å; T79-I139 PolarHBondContact O-N 2.93Å; I139-F141 HydrophobicContact CG2-CD1 4.42Å; I139-I151 HydrophobicContact CG2-CG2 3.57Å; I139-H152 CarbonylContact C-O 3.58Å; I139-H152 WeakPolarHBondContact CA-O 3.2Å; I139-I153 HydrophobicContact CG1-CG2 4.28Å; I139-I166 HydrophobicContact CD1-CG2 3.85Å; I139-I166 HydrophobicContact CG1-CG2 4.2Å; I139-I166 HydrophobicContact CG2-CG2 4.09Å; I139-L168 HydrophobicContact CD1-CD1 4.14Å; I139-L168 HydrophobicContact CD1-CG 4.1Å; I139-L168 HydrophobicContact CG1-CD1 3.41Å; I139-L168 VanDerWaalsContact CG1-CD1 3.41Å; I139-L168 HydrophobicContact CG1-CG 3.91Å
140L98.7Very high96.8Very high0 Ų042.2 Ų42.20%020%0.204CC..EExtended strand (participates in β ladder)trans-104.9141170.4-59.295.7000109.2L72 C78 V111 L114 A115 L118 M138 I151 H152 T154L72-L140 HydrophobicContact CD1-CD2 3.83Å; C78-L140 HydrophobicContact CB-CG 4.44Å; V111-L140 HydrophobicContact CG2-CB 3.55Å; L114-L140 HydrophobicContact CB-CD2 4.45Å; L114-L140 HydrophobicContact CD2-CD2 3.82Å; L114-L140 HydrophobicContact CG-CD2 3.91Å; A115-L140 HydrophobicContact CB-CD1 4.04Å; L118-L140 HydrophobicContact CD1-CD1 4.49Å; L118-L140 HydrophobicContact CD1-CD2 3.96Å; M138-L140 HydrophobicContact CB-CD1 4.4Å; M138-L140 HydrophobicContact CG-CD1 3.89Å; M138-L140 HydrophobicContact CG-CG 4.02Å; M138-L140 HydrophobicContact SD-CD1 3.87Å; M138-L140 HydrophobicContact SD-CD2 4.06Å; M138-L140 HydrophobicContact SD-CG 3.79Å; L140-I151 CarbonylContact O-C 3.54Å; L140-I151 WeakPolarHBondContact O-CA 3.43Å; L140-H152 PolarHBondContact N-O 3.27Å; L140-H152 PolarHBondContact O-N 2.83Å; L140-H152 VanDerWaalsContact O-O 3.14Å; L140-T154 HydrophobicContact CD1-CG2 3.96Å
141F98.6Very high96.9Very high0 Ų035.6 Ų35.60%017%0.173CC..EExtended strand (participates in β ladder)trans-145.2141.4178.452.2-92000111.4I48 A50 G77 T79 I139 L150 I151 C218 L220 F227I48-F141 HydrophobicContact CD1-CB 4.07Å; I48-F141 HydrophobicContact CG2-CB 3.93Å; I48-F141 HydrophobicContact CG2-CD2 4.44Å; I48-F141 HydrophobicContact CG2-CG 4.3Å; A50-F141 HydrophobicContact CB-CD1 3.77Å; A50-F141 HydrophobicContact CB-CE1 3.38Å; A50-F141 HydrophobicContact CB-CE2 4.23Å; A50-F141 HydrophobicContact CB-CG 4.34Å; A50-F141 HydrophobicContact CB-CZ 3.65Å; G77-F141 PolarHBondContact N-O 2.93Å; G77-F141 PolarHBondContact O-N 3.06Å; T79-F141 HydrophobicContact CG2-CE1 4.19Å; I139-F141 HydrophobicContact CG2-CD1 4.42Å; F141-L150 WeakPolarHBondContact CA-O 3.5Å; F141-I151 HydrophobicContact CB-CG1 4.31Å; F141-C218 HydrophobicContact CE2-CB 4.13Å; F141-C218 HydrophobicContact CZ-CB 4.07Å; F141-L220 HydrophobicContact CD2-CD1 3.61Å; F141-L220 HydrophobicContact CD2-CG 4.27Å; F141-L220 HydrophobicContact CE2-CD1 4.18Å; F141-L220 HydrophobicContact CE2-CG 4.48Å; F141-F227 HydrophobicContact CE2-CD2 4.39Å; F141-F227 HydrophobicContact CE2-CE2 4.4Å; F141-F227 HydrophobicContact CZ-CE2 4.23Å
142A98.4Very high97.1Very high6 Ų632.8 Ų32.85%0.0516%0.158CC..EExtended strand (participates in β ladder)trans-158.9162.1178.700000110.8I48 R75 I76 V111 L150I48-A142 VanDerWaalsContact CD1-O 3.25Å; I48-A142 WeakPolarHBondContact CD1-O 3.21Å; R75-A142 WeakPolarHBondContact O-CB 3.28Å; I76-A142 HydrophobicContact CG1-CB 3.95Å; V111-A142 HydrophobicContact CB-CB 3.79Å; V111-A142 HydrophobicContact CG1-CB 4.07Å; V111-A142 HydrophobicContact CG2-CB 4.28Å; A142-L150 PolarHBondContact N-O 3.31Å; A142-L150 VanDerWaalsContact N-O 3.08Å; A142-L150 PolarHBondContact O-N 3.29Å
143I98Very high97.2Very high14 Ų1427.4 Ų27.47%0.07214%0.139CC..EExtended strand (participates in β ladder)trans-93.3110.2165.6-53.8-60.4000108.1I48 P149 L220 P225I48-I143 HydrophobicContact CD1-CD1 4.2Å; I48-I143 HydrophobicContact CG1-CD1 4.18Å; I143-P149 HydrophobicContact CD1-CB 4.13Å; I143-P149 HydrophobicContact CD1-CG 3.91Å; I143-L220 HydrophobicContact CD1-CB 3.97Å; I143-L220 HydrophobicContact CG1-CB 3.82Å; I143-P225 HydrophobicContact CB-CB 3.92Å; I143-P225 HydrophobicContact CG1-CB 4.19Å; I143-P225 HydrophobicContact CG2-CB 4.41Å
144D95.8Very high97.2Very high21 Ų2127.2 Ų27.211%0.11214%0.137CC..EExtended strand (participates in β ladder)trans-77.6141.8172-172.2-88.3000110.5E146 K147 G148 L150D144-E146 VanDerWaalsContact C-N 3.3Å; D144-E146 PolarHBondContact O-N 3.31Å; D144-E146 PolarHBondContact OD1-N 3.35Å; D144-K147 HydrophobicContact CB-CB 4.08Å; D144-K147 PolarHBondContact OD1-N 3.04Å; D144-G148 WeakPolarHBondContact CB-O 3.49Å; D144-G148 PolarHBondContact N-O 3.36Å; D144-G148 WeakPolarHBondContact O-CA 3.34Å; D144-G148 PolarHBondContact O-N 3.09Å; D144-L150 HydrophobicContact CB-CD1 3.61Å; D144-L150 HydrophobicContact CB-CG 4.06Å
145I93Very high97.1Very high143 Ų14327.2 Ų27.273%0.73314%0.137SC*.THydrogen-bonded Turntrans-66.6-34.5-175.3-62.1172.4000111.3
146E93.3Very high97.1Very high179 Ų17927.2 Ų27.284%0.83614%0.137SC*.THydrogen-bonded Turntrans-99.6-40.5-175.7-62-178.8177.400112D144D144-E146 VanDerWaalsContact C-N 3.3Å; D144-E146 PolarHBondContact O-N 3.31Å; D144-E146 PolarHBondContact OD1-N 3.35Å
147K94.5Very high97.1Very high118 Ų11829 Ų2951%0.51315%0.152SC..THydrogen-bonded Turntrans-95.5-9.4-173.2-60167.1-176.2165.20113.3D112 D144 L150D112-K147 IonicContact OD2-NZ 2.69Å; D112-K147 PolarHBondContact OD2-NZ 3.48Å; D112-K147 VanDerWaalsContact OD2-NZ 3.11Å; D144-K147 HydrophobicContact CB-CB 4.08Å; D144-K147 PolarHBondContact OD1-N 3.04Å; K147-L150 HydrophobicContact CB-CD1 4.17Å; K147-L150 HydrophobicContact CB-CD2 4.19Å; K147-L150 HydrophobicContact CB-CG 4.32Å; K147-L150 HydrophobicContact CD-CD1 3.96Å
148G95.9Very high97.1Very high17 Ų1729.9 Ų29.918%0.17516%0.162CC..EExtended strand (participates in β ladder)trans71.3-147.3-175.200000112.6D144 L150D144-G148 WeakPolarHBondContact CB-O 3.49Å; D144-G148 PolarHBondContact N-O 3.36Å; D144-G148 WeakPolarHBondContact O-CA 3.34Å; D144-G148 PolarHBondContact O-N 3.09Å; G148-L150 PolarHBondContact O-N 2.99Å
149P97.5Very high97.1Very high5 Ų534.7 Ų34.73%0.03218%0.183CC..EExtended strand (participates in β ladder)trans-54.7126.6-179.6-3037.7000113.7K43 I48 I143K43-P149 HydrophobicContact CD-CB 4.07Å; K43-P149 VanDerWaalsContact CD-O 3.26Å; K43-P149 WeakPolarHBondContact CD-O 3.47Å; K43-P149 WeakPolarHBondContact CE-O 3.3Å; K43-P149 HydrophobicContact CG-CB 3.8Å; K43-P149 PolarHBondContact NZ-O 3.27Å; I48-P149 HydrophobicContact CD1-CB 3.95Å; I48-P149 HydrophobicContact CG1-CB 3.63Å; I143-P149 HydrophobicContact CD1-CB 4.13Å; I143-P149 HydrophobicContact CD1-CG 3.91Å
150L97.8Very high97Very high13 Ų1336.6 Ų36.67%0.06819%0.194CC..EExtended strand (participates in β ladder)trans-130.7134.5174.8-67.8-178.8000111.7I48 V111 F141 A142 D144 K147 G148I48-L150 VanDerWaalsContact CD1-O 3.31Å; I48-L150 WeakPolarHBondContact CD1-O 3.17Å; V111-L150 HydrophobicContact CG1-CB 3.54Å; V111-L150 HydrophobicContact CG1-CD1 3.94Å; V111-L150 HydrophobicContact CG1-CG 4.41Å; F141-L150 WeakPolarHBondContact CA-O 3.5Å; A142-L150 PolarHBondContact N-O 3.31Å; A142-L150 VanDerWaalsContact N-O 3.08Å; A142-L150 PolarHBondContact O-N 3.29Å; D144-L150 HydrophobicContact CB-CD1 3.61Å; D144-L150 HydrophobicContact CB-CG 4.06Å; K147-L150 HydrophobicContact CB-CD1 4.17Å; K147-L150 HydrophobicContact CB-CD2 4.19Å; K147-L150 HydrophobicContact CB-CG 4.32Å; K147-L150 HydrophobicContact CD-CD1 3.96Å; G148-L150 PolarHBondContact O-N 2.99Å
151I98.4Very high97Very high0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-121.7127.3172.5-58.2171.7000107.6A41 K43 I48 I139 L140 F141 S162 F163 I166A41-I151 HydrophobicContact CB-CD1 3.93Å; A41-I151 HydrophobicContact CB-CG2 4.04Å; K43-I151 HydrophobicContact CB-CD1 3.74Å; K43-I151 HydrophobicContact CB-CG1 4.39Å; I48-I151 HydrophobicContact CD1-CG1 4.17Å; I48-I151 HydrophobicContact CG2-CD1 3.97Å; I48-I151 HydrophobicContact CG2-CG1 3.97Å; I139-I151 HydrophobicContact CG2-CG2 3.57Å; L140-I151 CarbonylContact O-C 3.54Å; L140-I151 WeakPolarHBondContact O-CA 3.43Å; F141-I151 HydrophobicContact CB-CG1 4.31Å; I151-S162 CarbonylContact O-C 3.45Å; I151-S162 VanDerWaalsContact O-CA 3.26Å; I151-S162 WeakPolarHBondContact O-CA 3.4Å; I151-S162 PolarHBondContact O-OG 3Å; I151-F163 PolarHBondContact O-N 3.17Å; I151-I166 HydrophobicContact CG2-CG2 3.82Å
152H98.5Very high96.9Very high19 Ų1941.9 Ų41.99%0.08823%0.231CC..EExtended strand (participates in β ladder)trans-125.6159.3175.8-81-106.3000110.4D112 A115 I139 L140 C161 S162D112-H152 VanDerWaalsContact CB-CE1 3.49Å; D112-H152 WeakPolarHBondContact CB-CE1 3.03Å; A115-H152 HydrophobicContact CB-CB 3.64Å; I139-H152 CarbonylContact C-O 3.58Å; I139-H152 WeakPolarHBondContact CA-O 3.2Å; L140-H152 PolarHBondContact N-O 3.27Å; L140-H152 PolarHBondContact O-N 2.83Å; L140-H152 VanDerWaalsContact O-O 3.14Å; H152-C161 WeakPolarHBondContact CA-O 3.32Å; H152-S162 WeakPolarHBondContact NE2-CB 3.47Å; H152-S162 PolarHBondContact NE2-OG 3.39Å
153I98.1Very high96.8Very high12 Ų1244.4 Ų44.46%0.06224%0.24CC..EExtended strand (participates in β ladder)trans-122.2161.7170.270.2177.1000111.6M138 I139 F159 T160 C161 F163 I166M138-I153 CarbonylContact O-C 3.6Å; M138-I153 WeakPolarHBondContact O-CA 3.38Å; I139-I153 HydrophobicContact CG1-CG2 4.28Å; I153-F159 HydrophobicContact CD1-CD1 4.26Å; I153-F159 HydrophobicContact CD1-CE1 4.16Å; I153-T160 VanDerWaalsContact O-CA 3.26Å; I153-T160 WeakPolarHBondContact O-CA 3.42Å; I153-T160 WeakPolarHBondContact O-CB 3.38Å; I153-T160 PolarHBondContact O-OG1 3.07Å; I153-C161 PolarHBondContact N-O 3.28Å; I153-F163 HydrophobicContact CD1-CD2 4.45Å; I153-F163 HydrophobicContact CD1-CE2 3.55Å; I153-F163 HydrophobicContact CD1-CZ 3.99Å; I153-F163 HydrophobicContact CG1-CD2 4.4Å; I153-F163 HydrophobicContact CG1-CE2 3.76Å; I153-F163 HydrophobicContact CG2-CD2 4.23Å; I153-F163 HydrophobicContact CG2-CE2 4.32Å; I153-I166 HydrophobicContact CG2-CB 4.43Å; I153-I166 HydrophobicContact CG2-CG1 3.85Å; I153-I166 HydrophobicContact CG2-CG2 3.87Å
154T97.7Very high96.7Very high0 Ų047.2 Ų47.20%026%0.262CS..EExtended strand (participates in β ladder)trans-132.8142.8158.166.50000109.4Q90 A115 L118 A119 S137 M138 L140 F159Q90-T154 PolarHBondContact NE2-OG1 3.22Å; A115-T154 HydrophobicContact CB-CG2 4.23Å; A115-T154 WeakPolarHBondContact O-CG2 3.5Å; L118-T154 HydrophobicContact CB-CG2 3.87Å; A119-T154 HydrophobicContact CB-CG2 4.45Å; S137-T154 WeakPolarHBondContact CA-O 3.46Å; M138-T154 PolarHBondContact N-O 2.97Å; M138-T154 PolarHBondContact O-N 3.37Å; L140-T154 HydrophobicContact CD1-CG2 3.96Å; T154-F159 WeakPolarHBondContact CA-O 3.41Å
155D96.4Very high96.7Very high20 Ų2047.1 Ų47.111%0.10726%0.264CS..  trans-125.5173.9178.572.815000112.2F29 N122 A157 G158 F159F29-D155 HydrophobicContact CE1-CB 3.84Å; F29-D155 HydrophobicContact CZ-CB 3.92Å; F29-D155 WeakPolarHBondContact CZ-OD2 3.46Å; N122-D155 PolarHBondContact ND2-O 3.17Å; D155-A157 PolarHBondContact O-N 2.96Å; D155-A157 VanDerWaalsContact O-N 3.16Å; D155-A157 WeakPolarHBondContact OD1-CA 3.44Å; D155-A157 WeakPolarHBondContact OD1-CB 3.39Å; D155-A157 PolarHBondContact OD1-N 2.94Å; D155-G158 PolarHBondContact O-N 3.22Å; D155-G158 PolarHBondContact OD1-N 3.2Å; D155-F159 PolarHBondContact N-O 2.86Å; D155-F159 WeakPolarHBondContact OD1-CB 3.44Å; D155-F159 PolarHBondContact OD1-N 3.46Å; D155-F159 WeakPolarHBondContact OD2-CB 3.41Å
156P97.4Very high97Very high1 Ų141.6 Ų41.61%0.00624%0.235CC..THydrogen-bonded Turntrans-61.5-19179.6-26.636.2000114.8A28 V32 T126 P133 L134 G158A28-P156 HydrophobicContact CB-CB 3.66Å; A28-P156 HydrophobicContact CB-CG 4.09Å; V32-P156 HydrophobicContact CG2-CG 4.04Å; T126-P156 VanDerWaalsContact CG2-O 3.31Å; T126-P156 WeakPolarHBondContact CG2-O 3.42Å; P133-P156 HydrophobicContact CB-CB 4.26Å; L134-P156 VanDerWaalsContact O-CB 3.3Å; L134-P156 WeakPolarHBondContact O-CB 3.34Å; L134-P156 VanDerWaalsContact O-CG 3.28Å; L134-P156 WeakPolarHBondContact O-CG 3.26Å; P156-G158 VanDerWaalsContact C-N 3.32Å
157A97.6Very high97.2Very high38 Ų3833.5 Ų33.531%0.31420%0.198SC..THydrogen-bonded Turntrans-82.9-10.7-179.800000113V25 F29 D155V25-A157 HydrophobicContact CG1-CB 3.75Å; F29-A157 HydrophobicContact CE2-CB 3.98Å; F29-A157 HydrophobicContact CZ-CB 4.16Å; D155-A157 PolarHBondContact O-N 2.96Å; D155-A157 VanDerWaalsContact O-N 3.16Å; D155-A157 WeakPolarHBondContact OD1-CA 3.44Å; D155-A157 WeakPolarHBondContact OD1-CB 3.39Å; D155-A157 PolarHBondContact OD1-N 2.94Å
158G97.3Very high97.3Very high22 Ų2228.8 Ų28.823%0.22718%0.179CC..SBendtrans81.127.4-171.200000112.8A119 D155 P156A119-G158 WeakPolarHBondContact CB-O 3.03Å; A119-G158 VanDerWaalsContact O-CA 3.28Å; A119-G158 WeakPolarHBondContact O-CA 3.15Å; D155-G158 PolarHBondContact O-N 3.22Å; D155-G158 PolarHBondContact OD1-N 3.2Å; P156-G158 VanDerWaalsContact C-N 3.32Å
159F97.5Very high97.3Very high101 Ų10128 Ų2844%0.44317%0.171SC..  trans-90.7142172.4172.5-98.9000111.1I153 T154 D155 C161I153-F159 HydrophobicContact CD1-CD1 4.26Å; I153-F159 HydrophobicContact CD1-CE1 4.16Å; T154-F159 WeakPolarHBondContact CA-O 3.41Å; D155-F159 PolarHBondContact N-O 2.86Å; D155-F159 WeakPolarHBondContact OD1-CB 3.44Å; D155-F159 PolarHBondContact OD1-N 3.46Å; D155-F159 WeakPolarHBondContact OD2-CB 3.41Å; F159-C161 HydrophobicContact CE1-CB 3.77Å; F159-C161 HydrophobicContact CE2-CB 4.3Å; F159-C161 HydrophobicContact CZ-CB 3.47Å; F159-C161 VanDerWaalsContact CZ-CB 3.47Å
160T97.9Very high97.2Very high40 Ų4029.9 Ų29.925%0.24518%0.182CC..  trans-139.9143.4168.6-172.30000110.7A115 A119 I153A115-T160 WeakPolarHBondContact CB-OG1 3.34Å; A119-T160 HydrophobicContact CB-CG2 3.93Å; I153-T160 VanDerWaalsContact O-CA 3.26Å; I153-T160 WeakPolarHBondContact O-CA 3.42Å; I153-T160 WeakPolarHBondContact O-CB 3.38Å; I153-T160 PolarHBondContact O-OG1 3.07Å
161C96.8Very high97.1Very high55 Ų5532.7 Ų32.737%0.37219%0.194SC..  trans-156.2159.6174.3-169.80000109.8H152 I153 F159 F163H152-C161 WeakPolarHBondContact CA-O 3.32Å; I153-C161 PolarHBondContact N-O 3.28Å; F159-C161 HydrophobicContact CE1-CB 3.77Å; F159-C161 HydrophobicContact CE2-CB 4.3Å; F159-C161 HydrophobicContact CZ-CB 3.47Å; F159-C161 VanDerWaalsContact CZ-CB 3.47Å; C161-F163 HydrophobicContact CB-CE2 3.76Å; C161-F163 HydrophobicContact CB-CZ 4.23Å; C161-F163 WeakPolarHBondContact O-CD2 3.46Å
162S96.7Very high96.9Very high55 Ų5533.3 Ų33.339%0.38520%0.198SC..BIsolated β-bridgetrans-88141.4174-161.30000110.9I151 H152I151-S162 CarbonylContact O-C 3.45Å; I151-S162 VanDerWaalsContact O-CA 3.26Å; I151-S162 WeakPolarHBondContact O-CA 3.4Å; I151-S162 PolarHBondContact O-OG 3Å; H152-S162 WeakPolarHBondContact NE2-CB 3.47Å; H152-S162 PolarHBondContact NE2-OG 3.39Å
163F96.8Very high96.8Very high59 Ų5935.9 Ų35.926%0.25922%0.216SC..  trans-130.9146.4-178.3-70.6-93.2000112.1I151 I153 C161 I166I151-F163 PolarHBondContact O-N 3.17Å; I153-F163 HydrophobicContact CD1-CD2 4.45Å; I153-F163 HydrophobicContact CD1-CE2 3.55Å; I153-F163 HydrophobicContact CD1-CZ 3.99Å; I153-F163 HydrophobicContact CG1-CD2 4.4Å; I153-F163 HydrophobicContact CG1-CE2 3.76Å; I153-F163 HydrophobicContact CG2-CD2 4.23Å; I153-F163 HydrophobicContact CG2-CE2 4.32Å; C161-F163 HydrophobicContact CB-CE2 3.76Å; C161-F163 HydrophobicContact CB-CZ 4.23Å; C161-F163 WeakPolarHBondContact O-CD2 3.46Å; F163-I166 HydrophobicContact CB-CB 3.92Å; F163-I166 HydrophobicContact CB-CG2 4.37Å; F163-I166 HydrophobicContact CD1-CB 4.26Å; F163-I166 HydrophobicContact CD1-CD1 3.78Å; F163-I166 HydrophobicContact CD1-CG1 4.26Å; F163-I166 HydrophobicContact CD2-CB 4.37Å; F163-I166 HydrophobicContact CD2-CG1 4.28Å; F163-I166 HydrophobicContact CE1-CD1 3.75Å; F163-I166 HydrophobicContact CE2-CD1 4.49Å; F163-I166 HydrophobicContact CG-CB 3.93Å; F163-I166 HydrophobicContact CG-CD1 4.19Å; F163-I166 HydrophobicContact CG-CG1 4.15Å; F163-I166 HydrophobicContact CZ-CD1 4.12Å
164S95Very high96.7Very high74 Ų7439.4 Ų39.452%0.51723%0.233SC..SBendtrans-75.6-32.3166.9-55.50000111.8K43K43-S164 WeakPolarHBondContact CB-O 3.24Å; K43-S164 PolarHBondContact N-O 3.34Å
165A97.6Very high96.7Very high19 Ų1939.4 Ų39.416%0.15723%0.233CC..EExtended strand (participates in β ladder)trans-157.1151.7163.700000108.7A41 V42 L179 I183A41-A165 CarbonylContact O-C 3.54Å; A41-A165 WeakPolarHBondContact O-CA 3.5Å; A41-A165 WeakPolarHBondContact O-CB 3.18Å; V42-A165 HydrophobicContact CB-CB 4.49Å; V42-A165 HydrophobicContact CG1-CB 4.44Å; V42-A165 HydrophobicContact CG2-CB 4.29Å; A165-L179 HydrophobicContact CB-CB 4.49Å; A165-L179 HydrophobicContact CB-CD1 4Å; A165-L179 HydrophobicContact CB-CD2 3.97Å; A165-L179 HydrophobicContact CB-CG 4.37Å; A165-I183 HydrophobicContact CB-CD1 3.22Å
166I97.8Very high96.7Very high27 Ų2743.9 Ų43.914%0.13825%0.251CS..EExtended strand (participates in β ladder)trans-150.3151.2-178.4-166.955.9000110.1V40 A41 I139 I151 I153 F163V40-I166 CarbonylContact C-O 3.55Å; V40-I166 WeakPolarHBondContact CA-O 3.31Å; A41-I166 HydrophobicContact CB-CG2 4.41Å; A41-I166 PolarHBondContact N-O 2.93Å; A41-I166 PolarHBondContact O-N 3.35Å; I139-I166 HydrophobicContact CD1-CG2 3.85Å; I139-I166 HydrophobicContact CG1-CG2 4.2Å; I139-I166 HydrophobicContact CG2-CG2 4.09Å; I151-I166 HydrophobicContact CG2-CG2 3.82Å; I153-I166 HydrophobicContact CG2-CB 4.43Å; I153-I166 HydrophobicContact CG2-CG1 3.85Å; I153-I166 HydrophobicContact CG2-CG2 3.87Å; F163-I166 HydrophobicContact CB-CB 3.92Å; F163-I166 HydrophobicContact CB-CG2 4.37Å; F163-I166 HydrophobicContact CD1-CB 4.26Å; F163-I166 HydrophobicContact CD1-CD1 3.78Å; F163-I166 HydrophobicContact CD1-CG1 4.26Å; F163-I166 HydrophobicContact CD2-CB 4.37Å; F163-I166 HydrophobicContact CD2-CG1 4.28Å; F163-I166 HydrophobicContact CE1-CD1 3.75Å; F163-I166 HydrophobicContact CE2-CD1 4.49Å; F163-I166 HydrophobicContact CG-CB 3.93Å; F163-I166 HydrophobicContact CG-CD1 4.19Å; F163-I166 HydrophobicContact CG-CG1 4.15Å; F163-I166 HydrophobicContact CZ-CD1 4.12Å
167S97.5Very high96.7Very high8 Ų848.1 Ų48.16%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-128.7146.317362.80000110T39 S172T39-S167 CarbonylContact O-C 3.58Å; T39-S167 WeakPolarHBondContact O-CA 3.17Å; T39-S167 WeakPolarHBondContact O-CB 3.45Å; S167-S172 WeakPolarHBondContact OG-CA 3.41Å; S167-S172 WeakPolarHBondContact OG-CB 3.15Å; S167-S172 PolarHBondContact OG-O 3.47Å
168L96.9Very high96.7Very high20 Ų2047.3 Ų47.311%0.10526%0.263CS..EExtended strand (participates in β ladder)trans-133156.2173.7-56.7176.2000110T38 T39 I139T38-L168 WeakPolarHBondContact CA-O 3.05Å; T39-L168 HydrophobicContact CG2-CB 3.85Å; T39-L168 PolarHBondContact N-O 3.16Å; T39-L168 PolarHBondContact O-N 2.89Å; I139-L168 HydrophobicContact CD1-CD1 4.14Å; I139-L168 HydrophobicContact CD1-CG 4.1Å; I139-L168 HydrophobicContact CG1-CD1 3.41Å; I139-L168 VanDerWaalsContact CG1-CD1 3.41Å; I139-L168 HydrophobicContact CG1-CG 3.91Å
169G95.3Very high96.7Very high0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans98.6-169.9-179.800000114.5F33 L37 K171 S172F33-G169 WeakPolarHBondContact CD1-O 3.48Å; L37-G169 CarbonylContact O-C 3.57Å; L37-G169 VanDerWaalsContact O-CA 3.25Å; L37-G169 WeakPolarHBondContact O-CA 3.43Å; G169-K171 VanDerWaalsContact C-N 3.34Å; G169-K171 PolarHBondContact O-N 2.97Å; G169-S172 VanDerWaalsContact O-CB 3.27Å; G169-S172 WeakPolarHBondContact O-CB 3.38Å; G169-S172 PolarHBondContact O-N 3.34Å; G169-S172 VanDerWaalsContact O-N 3.08Å; G169-S172 PolarHBondContact O-OG 2.94Å
170T95.4Very high96.6Very high44 Ų4447.8 Ų47.827%0.2726%0.261SS..THydrogen-bonded Turntrans-58-39.5-164.5-56.30000114.2F33 V35 N36 L37F33-T170 PolarHBondContact O-OG1 3.01Å; V35-T170 PolarHBondContact O-OG1 2.98Å; N36-T170 WeakPolarHBondContact CA-OG1 3.28Å; L37-T170 PolarHBondContact O-N 2.96Å; L37-T170 VanDerWaalsContact O-N 3.07Å
171K96.3Very high96.5Very high72 Ų7254.2 Ų54.231%0.31329%0.286SS..THydrogen-bonded Turntrans-100.518.4-178.4-56.9-65.5-172.2169.30113.3T38 G169 P173 Q174 A175 S205T38-K171 HydrophobicContact CG2-CB 4.16Å; T38-K171 WeakPolarHBondContact OG1-CB 3.25Å; T38-K171 PolarHBondContact OG1-N 3.06Å; T38-K171 VanDerWaalsContact OG1-N 3.12Å; G169-K171 VanDerWaalsContact C-N 3.34Å; G169-K171 PolarHBondContact O-N 2.97Å; K171-P173 VanDerWaalsContact C-CD 3.43Å; K171-P173 VanDerWaalsContact C-N 3.35Å; K171-Q174 PolarHBondContact O-N 3.34Å; K171-Q174 PolarHBondContact O-OE1 2.89Å; K171-A175 PolarHBondContact O-N 3.36Å; K171-S205 WeakPolarHBondContact CB-O 3.4Å; K171-S205 WeakPolarHBondContact CG-O 3.39Å
172S95.1Very high96.3Very high14 Ų1456.4 Ų56.410%0.09829%0.289CS..Hα-helixtrans-57-36.517854.90000114.2F33 S167 G169 Q174 A175 K176F33-S172 WeakPolarHBondContact CE1-OG 3.46Å; S167-S172 WeakPolarHBondContact OG-CA 3.41Å; S167-S172 WeakPolarHBondContact OG-CB 3.15Å; S167-S172 PolarHBondContact OG-O 3.47Å; G169-S172 VanDerWaalsContact O-CB 3.27Å; G169-S172 WeakPolarHBondContact O-CB 3.38Å; G169-S172 PolarHBondContact O-N 3.34Å; G169-S172 VanDerWaalsContact O-N 3.08Å; G169-S172 PolarHBondContact O-OG 2.94Å; S172-Q174 PolarHBondContact O-N 2.92Å; S172-A175 PolarHBondContact O-N 2.85Å; S172-K176 VanDerWaalsContact O-CB 3.25Å; S172-K176 WeakPolarHBondContact O-CB 3.36Å; S172-K176 PolarHBondContact O-N 2.9Å
173P95.3Very high96.1Very high72 Ų7255.7 Ų55.747%0.46828%0.28SS..Hα-helixtrans-63.3-41.6176.3-23.235.8000113.2K171 N177K171-P173 VanDerWaalsContact C-CD 3.43Å; K171-P173 VanDerWaalsContact C-N 3.35Å; P173-N177 VanDerWaalsContact O-CG 3.29Å; P173-N177 PolarHBondContact O-N 3.13Å; P173-N177 VanDerWaalsContact O-N 3.15Å; P173-N177 PolarHBondContact O-ND2 3.18Å
174Q96.9Very high95.7Very high87 Ų8759.3 Ų59.341%0.40730%0.296SS..Hα-helixtrans-66.6-47.2176.9-66.279.7-0.500110.9K171 S172 K176 N177 F178K171-Q174 PolarHBondContact O-N 3.34Å; K171-Q174 PolarHBondContact O-OE1 2.89Å; S172-Q174 PolarHBondContact O-N 2.92Å; Q174-K176 VanDerWaalsContact C-N 3.32Å; Q174-K176 PolarHBondContact O-N 2.97Å; Q174-N177 PolarHBondContact O-N 3.33Å; Q174-F178 PolarHBondContact O-N 3.17Å; Q174-F178 VanDerWaalsContact O-N 3.1Å
175A97.5Very high95.1Very high0 Ų065.8 Ų65.80%032%0.315CS..Hα-helixtrans-59.4-42.4176.500000111.8V40 K171 S172 N177 F178 L179V40-A175 HydrophobicContact CG2-CB 4.22Å; K171-A175 PolarHBondContact O-N 3.36Å; S172-A175 PolarHBondContact O-N 2.85Å; A175-N177 PolarHBondContact O-N 3.04Å; A175-F178 WeakPolarHBondContact O-CB 3.41Å; A175-F178 PolarHBondContact O-N 2.91Å; A175-L179 VanDerWaalsContact O-CG 3.26Å; A175-L179 WeakPolarHBondContact O-CG 3.39Å; A175-L179 PolarHBondContact O-N 3.37Å
176K97Very high94.6Very high113 Ų11371.5 Ų71.549%0.49134%0.343SS..Hα-helixtrans-59.4-47.2176.7179178.6170.8-1790111.4S172 Q174 F178 L179 E180S172-K176 VanDerWaalsContact O-CB 3.25Å; S172-K176 WeakPolarHBondContact O-CB 3.36Å; S172-K176 PolarHBondContact O-N 2.9Å; Q174-K176 VanDerWaalsContact C-N 3.32Å; Q174-K176 PolarHBondContact O-N 2.97Å; K176-F178 VanDerWaalsContact C-N 3.26Å; K176-F178 PolarHBondContact O-N 3.49Å; K176-L179 PolarHBondContact O-N 2.76Å; K176-E180 WeakPolarHBondContact CE-OE1 3.39Å; K176-E180 HydrophobicContact CG-CG 4.39Å; K176-E180 IonicContact NZ-OE1 2.7Å; K176-E180 WeakPolarHBondContact O-CG 2.86Å; K176-E180 PolarHBondContact O-N 2.89Å
177N97.1Very high94.3Very high90 Ų9076.5 Ų76.548%0.48136%0.364SS..Hα-helixtrans-61.1-35.4178-69.2-19.6000112.5P173 Q174 A175 K181P173-N177 VanDerWaalsContact O-CG 3.29Å; P173-N177 PolarHBondContact O-N 3.13Å; P173-N177 VanDerWaalsContact O-N 3.15Å; P173-N177 PolarHBondContact O-ND2 3.18Å; Q174-N177 PolarHBondContact O-N 3.33Å; A175-N177 PolarHBondContact O-N 3.04Å; N177-K181 WeakPolarHBondContact O-CG 3.34Å; N177-K181 PolarHBondContact O-N 2.91Å
178F97.3Very high94Very high21 Ų2179.4 Ų79.49%0.09238%0.382CS..Hα-helixtrans-65.7-51.2173.4176.3-91.2000111.4Q174 A175 K176 E180 K181 K182 Q200 C201 E204Q174-F178 PolarHBondContact O-N 3.17Å; Q174-F178 VanDerWaalsContact O-N 3.1Å; A175-F178 WeakPolarHBondContact O-CB 3.41Å; A175-F178 PolarHBondContact O-N 2.91Å; K176-F178 VanDerWaalsContact C-N 3.26Å; K176-F178 PolarHBondContact O-N 3.49Å; F178-E180 VanDerWaalsContact C-N 3.32Å; F178-E180 PolarHBondContact O-N 3.36Å; F178-K181 PolarHBondContact O-N 3.04Å; F178-K181 VanDerWaalsContact O-N 3.09Å; F178-K182 HydrophobicContact CE1-CB 4.24Å; F178-K182 HydrophobicContact CE1-CG 4.4Å; F178-K182 HydrophobicContact CZ-CD 4.39Å; F178-K182 HydrophobicContact CZ-CG 4.44Å; F178-K182 PolarHBondContact O-N 3.22Å; F178-Q200 HydrophobicContact CE1-CB 4.39Å; F178-Q200 HydrophobicContact CZ-CB 3.76Å; F178-C201 VanDerWaalsContact CD1-CA 3.42Å; F178-C201 HydrophobicContact CD1-CB 3.36Å; F178-C201 VanDerWaalsContact CE1-CA 3.47Å; F178-C201 HydrophobicContact CE1-CB 3.54Å; F178-C201 HydrophobicContact CG-CB 4.3Å; F178-E204 HydrophobicContact CD2-CB 4.37Å; F178-E204 VanDerWaalsContact CD2-CD 3.44Å; F178-E204 HydrophobicContact CD2-CG 4.36Å; F178-E204 WeakPolarHBondContact CD2-OE2 3.5Å; F178-E204 HydrophobicContact CE2-CG 4.29Å; F178-E204 WeakPolarHBondContact CE2-OE1 3.13Å; F178-E204 WeakPolarHBondContact CE2-OE2 3.43Å
179L97.1Very high94Very high10 Ų1079.5 Ų79.55%0.05238%0.383CS..Hα-helixtrans-60.3-40.9-178.3-67167.7000111.8V40 V42 A165 A175 K176 K181 K182 I183 C201V40-L179 HydrophobicContact CG1-CD1 4.11Å; V40-L179 HydrophobicContact CG1-CD2 4.26Å; V42-L179 HydrophobicContact CG2-CD2 3.87Å; A165-L179 HydrophobicContact CB-CB 4.49Å; A165-L179 HydrophobicContact CB-CD1 4Å; A165-L179 HydrophobicContact CB-CD2 3.97Å; A165-L179 HydrophobicContact CB-CG 4.37Å; A175-L179 VanDerWaalsContact O-CG 3.26Å; A175-L179 WeakPolarHBondContact O-CG 3.39Å; A175-L179 PolarHBondContact O-N 3.37Å; K176-L179 PolarHBondContact O-N 2.76Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.06Å; L179-K182 PolarHBondContact O-N 2.66Å; L179-I183 HydrophobicContact CB-CD1 4.27Å; L179-I183 HydrophobicContact CD2-CD1 3.86Å; L179-I183 WeakPolarHBondContact O-CB 3.35Å; L179-I183 PolarHBondContact O-N 3.22Å; L179-C201 HydrophobicContact CD2-CB 4.11Å
180E95.6Very high94Very high123 Ų12384.4 Ų84.458%0.57541%0.405SS*.Hα-helixtrans-62.2-31.6177-75.7179.9171.500113K176 F178K176-E180 WeakPolarHBondContact CE-OE1 3.39Å; K176-E180 HydrophobicContact CG-CG 4.39Å; K176-E180 IonicContact NZ-OE1 2.7Å; K176-E180 WeakPolarHBondContact O-CG 2.86Å; K176-E180 PolarHBondContact O-N 2.89Å; F178-E180 VanDerWaalsContact C-N 3.32Å; F178-E180 PolarHBondContact O-N 3.36Å
181K94.8Very high94Very high175 Ų17585.3 Ų85.376%0.76141%0.407SS*.Hα-helixtrans-79.7-37.5176.7-68.4171.9-175.5178.90112.5N177 F178 L179N177-K181 WeakPolarHBondContact O-CG 3.34Å; N177-K181 PolarHBondContact O-N 2.91Å; F178-K181 PolarHBondContact O-N 3.04Å; F178-K181 VanDerWaalsContact O-N 3.09Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.06Å
182K93.1Very high94Very high101 Ų10185.3 Ų85.344%0.43941%0.41SS..Hα-helixtrans-84.2-38.1-172.8-163.477.7172.1-153.20112.8F178 L179F178-K182 HydrophobicContact CE1-CB 4.24Å; F178-K182 HydrophobicContact CE1-CG 4.4Å; F178-K182 HydrophobicContact CZ-CD 4.39Å; F178-K182 HydrophobicContact CZ-CG 4.44Å; F178-K182 PolarHBondContact O-N 3.22Å; L179-K182 PolarHBondContact O-N 2.66Å
183I92.3Very high94Very high40 Ų4088.3 Ų88.321%0.20542%0.423CS..  trans-92.6117.5-171.8-60.9175.8000110.4V42 A165 L179V42-I183 HydrophobicContact CG1-CD1 3.98Å; A165-I183 HydrophobicContact CB-CD1 3.22Å; L179-I183 HydrophobicContact CB-CD1 4.27Å; L179-I183 HydrophobicContact CD2-CD1 3.86Å; L179-I183 WeakPolarHBondContact O-CB 3.35Å; L179-I183 PolarHBondContact O-N 3.22Å
184K89.8Confident94.1Very high135 Ų13584.9 Ų84.959%0.58740%0.4SS*.BIsolated β-bridgetrans-106.3137.6175.4-57.6-175177.9-178.20110.2D186 K187K184-D186 VanDerWaalsContact C-N 3.29Å; K184-D186 VanDerWaalsContact CB-OD1 3.31Å; K184-D186 WeakPolarHBondContact CB-OD1 3.31Å; K184-D186 PolarHBondContact O-N 3.34Å; K184-K187 PolarHBondContact O-N 3.1Å
185K81.5Confident94.2Very high211 Ų21180.8 Ų80.892%0.91738%0.381SS*.THydrogen-bonded Turntrans-66.9-29.3-175-70.4-175.7178179.70113.6
186D87.4Confident94.1Very high139 Ų13981.1 Ų81.174%0.74338%0.382SS*.THydrogen-bonded Turntrans-86.4-13.8-176.459.2-42.3000113.7K184K184-D186 VanDerWaalsContact C-N 3.29Å; K184-D186 VanDerWaalsContact CB-OD1 3.31Å; K184-D186 WeakPolarHBondContact CB-OD1 3.31Å; K184-D186 PolarHBondContact O-N 3.34Å
187K91.5Very high94.1Very high132 Ų13275.8 Ų75.857%0.57436%0.36SS*.BIsolated β-bridgetrans-129.587.7-179.1-169.3-178.6177.3-172.50110.3K184K184-K187 PolarHBondContact O-N 3.1Å
188P91.8Very high94.2Very high69 Ų6971.5 Ų71.545%0.44834%0.337SS..PPolyproline II helixtrans-63.4141.7175.328.7-34.5000110.1K45K45-P188 HydrophobicContact CB-CB 4Å; K45-P188 HydrophobicContact CB-CG 4.24Å; K45-P188 HydrophobicContact CG-CG 4.38Å
189L95.3Very high94.2Very high22 Ų2270.5 Ų70.512%0.11533%0.332CS..PPolyproline II helixtrans-70139.9-179.2-60.5175.7000110.8V42 G44 K45 E193 T194 C197V42-L189 HydrophobicContact CG1-CD1 3.85Å; G44-L189 CarbonylContact C-O 3.53Å; G44-L189 VanDerWaalsContact CA-O 3.3Å; G44-L189 WeakPolarHBondContact CA-O 3.25Å; K45-L189 PolarHBondContact N-O 3.05Å; L189-E193 HydrophobicContact CB-CB 4.12Å; L189-E193 HydrophobicContact CD2-CB 4.21Å; L189-T194 WeakPolarHBondContact CB-OG1 3.27Å; L189-C197 HydrophobicContact CD1-CB 3.83Å
190E96.1Very high94.2Very high102 Ų10271 Ų7148%0.47733%0.334SS..PPolyproline II helixtrans-73.4172.3168.3-66.6-60.4153.500110.8N192 E193 T194E190-N192 PolarHBondContact O-N 3.25Å; E190-E193 HydrophobicContact CB-CG 4.4Å; E190-E193 PolarHBondContact N-OE2 3.15Å; E190-E193 VanDerWaalsContact N-OE2 3.13Å; E190-E193 PolarHBondContact O-N 3.42Å; E190-T194 WeakPolarHBondContact O-CB 3.39Å; E190-T194 PolarHBondContact O-N 2.81Å; E190-T194 PolarHBondContact O-OG1 3.39Å
191H96Very high94.3Very high64 Ų6465.1 Ų65.130%0.29631%0.307SS..Hα-helixtrans-52.1-59.6-172.3179.571.6000113.8T47 E193 T194 I195T47-H191 WeakPolarHBondContact CG2-ND1 3.33Å; T47-H191 PolarHBondContact OG1-ND1 2.9Å; H191-E193 PolarHBondContact O-N 3.48Å; H191-T194 WeakPolarHBondContact O-CB 3.28Å; H191-T194 PolarHBondContact O-N 3.05Å; H191-I195 PolarHBondContact O-N 2.74Å
192N95.8Very high94.4Very high72 Ų7256.8 Ų56.839%0.38527%0.271SS..Hα-helixtrans-66-38.4-179.8-71-5.8000111.5E190 T194 I195 H196E190-N192 PolarHBondContact O-N 3.25Å; N192-T194 PolarHBondContact O-N 3.08Å; N192-I195 PolarHBondContact O-N 3.23Å; N192-H196 WeakPolarHBondContact O-CB 3.3Å; N192-H196 PolarHBondContact O-CD2 3.47Å; N192-H196 VanDerWaalsContact O-CG 3.26Å; N192-H196 PolarHBondContact O-N 2.89Å
193E95.9Very high94.6Very high77 Ų7753.4 Ų53.436%0.3626%0.256SS..Hα-helixtrans-60.5-36.1177.1-62.2-176.1146.300112L189 E190 H191 C197L189-E193 HydrophobicContact CB-CB 4.12Å; L189-E193 HydrophobicContact CD2-CB 4.21Å; E190-E193 HydrophobicContact CB-CG 4.4Å; E190-E193 PolarHBondContact N-OE2 3.15Å; E190-E193 VanDerWaalsContact N-OE2 3.13Å; E190-E193 PolarHBondContact O-N 3.42Å; H191-E193 PolarHBondContact O-N 3.48Å; E193-C197 WeakPolarHBondContact O-CB 3.42Å; E193-C197 PolarHBondContact O-N 3.42Å
194T97.4Very high94.7Very high0 Ų057.6 Ų57.60%028%0.275CS..Hα-helixtrans-64-46176.8-55.10000111.1V42 G44 T47 C49 L189 E190 H191 N192 A198V42-T194 HydrophobicContact CB-CG2 4.23Å; V42-T194 HydrophobicContact CG1-CG2 4.07Å; V42-T194 WeakPolarHBondContact O-CG2 3.41Å; G44-T194 VanDerWaalsContact CA-OG1 3.31Å; G44-T194 WeakPolarHBondContact CA-OG1 3.38Å; T47-T194 HydrophobicContact CG2-CG2 4.21Å; C49-T194 HydrophobicContact CB-CG2 4.05Å; L189-T194 WeakPolarHBondContact CB-OG1 3.27Å; E190-T194 WeakPolarHBondContact O-CB 3.39Å; E190-T194 PolarHBondContact O-N 2.81Å; E190-T194 PolarHBondContact O-OG1 3.39Å; H191-T194 WeakPolarHBondContact O-CB 3.28Å; H191-T194 PolarHBondContact O-N 3.05Å; N192-T194 PolarHBondContact O-N 3.08Å; T194-A198 PolarHBondContact O-N 3.31Å
195I97.4Very high95Very high0 Ų051.4 Ų51.40%025%0.249CC..Hα-helixtrans-67.4-47.2179.8-60.8170.4000110.3C49 H191 N192 C197 A198 I199 V219 Y238C49-I195 HydrophobicContact CB-CG1 4.16Å; H191-I195 PolarHBondContact O-N 2.74Å; N192-I195 PolarHBondContact O-N 3.23Å; I195-C197 VanDerWaalsContact C-N 3.32Å; I195-C197 PolarHBondContact O-N 2.99Å; I195-A198 PolarHBondContact O-N 3.48Å; I195-A198 VanDerWaalsContact O-N 3.15Å; I195-I199 HydrophobicContact CG2-CD1 3.95Å; I195-I199 WeakPolarHBondContact O-CG1 3.3Å; I195-I199 PolarHBondContact O-N 3.01Å; I195-V219 HydrophobicContact CD1-CG1 4.18Å; I195-V219 HydrophobicContact CD1-CG2 3.93Å; I195-V219 HydrophobicContact CG1-CG2 4.08Å; I195-Y238 HydrophobicContact CB-CD1 4.43Å; I195-Y238 HydrophobicContact CB-CE1 4.42Å; I195-Y238 HydrophobicContact CD1-CD1 4.47Å; I195-Y238 HydrophobicContact CD1-CE1 3.71Å; I195-Y238 HydrophobicContact CD1-CE2 4.01Å; I195-Y238 VanDerWaalsContact CD1-CZ 3.45Å; I195-Y238 WeakPolarHBondContact CD1-OH 3.39Å; I195-Y238 HydrophobicContact CG2-CD1 3.81Å; I195-Y238 HydrophobicContact CG2-CD2 4.06Å; I195-Y238 HydrophobicContact CG2-CE1 4.13Å; I195-Y238 HydrophobicContact CG2-CE2 4.38Å; I195-Y238 HydrophobicContact CG2-CG 3.77Å
196H96.8Very high95.6Very high7 Ų742.6 Ų42.63%0.03221%0.213CC..Hα-helixtrans-61.9-41.9179.3-68.3-148.9000110.9N192 A198 I199 Q200 E241 V242 K245N192-H196 WeakPolarHBondContact O-CB 3.3Å; N192-H196 PolarHBondContact O-CD2 3.47Å; N192-H196 VanDerWaalsContact O-CG 3.26Å; N192-H196 PolarHBondContact O-N 2.89Å; H196-A198 VanDerWaalsContact C-N 3.31Å; H196-A198 PolarHBondContact O-N 3.24Å; H196-I199 PolarHBondContact O-N 2.79Å; H196-Q200 WeakPolarHBondContact O-CB 3.42Å; H196-Q200 VanDerWaalsContact O-CG 3.32Å; H196-Q200 WeakPolarHBondContact O-CG 3.25Å; H196-Q200 PolarHBondContact O-N 3.1Å; H196-E241 IonicContact CE1-OE2 3.73Å; H196-E241 IonicContact NE2-OE2 3.08Å; H196-E241 PolarHBondContact NE2-OE2 2.9Å; H196-V242 HydrophobicContact CB-CG2 3.92Å; H196-K245 PolarHBondContact CE1-NZ 3.1Å; H196-K245 VanDerWaalsContact CE1-NZ 3.31Å; H196-K245 PolarHBondContact ND1-NZ 3.1Å
197C97.2Very high95.9Very high2 Ų239 Ų391%0.01421%0.209CC..Hα-helixtrans-60.2-40.2176.6-176.80000112.1V42 L189 E193 I195 C201V42-C197 HydrophobicContact CG1-CB 4.5Å; L189-C197 HydrophobicContact CD1-CB 3.83Å; E193-C197 WeakPolarHBondContact O-CB 3.42Å; E193-C197 PolarHBondContact O-N 3.42Å; I195-C197 VanDerWaalsContact C-N 3.32Å; I195-C197 PolarHBondContact O-N 2.99Å; C197-C201 WeakPolarHBondContact O-CB 3.39Å; C197-C201 PolarHBondContact O-N 3.07Å
198A98Very high95.9Very high0 Ų037.5 Ų37.50%021%0.206CC..Hα-helixtrans-67.4-43.2178.200000111.8V42 C49 I51 T194 I195 H196 L202V42-A198 HydrophobicContact CB-CB 4.41Å; V42-A198 HydrophobicContact CG2-CB 3.85Å; C49-A198 HydrophobicContact CB-CB 4.08Å; I51-A198 HydrophobicContact CG2-CB 3.98Å; T194-A198 PolarHBondContact O-N 3.31Å; I195-A198 PolarHBondContact O-N 3.48Å; I195-A198 VanDerWaalsContact O-N 3.15Å; H196-A198 VanDerWaalsContact C-N 3.31Å; H196-A198 PolarHBondContact O-N 3.24Å; A198-L202 PolarHBondContact O-N 3.42Å; A198-L202 VanDerWaalsContact O-N 3.12Å
199I97.7Very high96Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-63.3-53.9177.3-68.6172.2000110.8I51 I195 H196 C201 L202 Q203 I217 L239 V242I51-I199 HydrophobicContact CD1-CG1 4.05Å; I195-I199 HydrophobicContact CG2-CD1 3.95Å; I195-I199 WeakPolarHBondContact O-CG1 3.3Å; I195-I199 PolarHBondContact O-N 3.01Å; H196-I199 PolarHBondContact O-N 2.79Å; I199-C201 VanDerWaalsContact C-N 3.3Å; I199-C201 PolarHBondContact O-N 3.37Å; I199-L202 PolarHBondContact O-N 3.45Å; I199-Q203 PolarHBondContact O-N 3.18Å; I199-I217 HydrophobicContact CD1-CD1 3.97Å; I199-I217 HydrophobicContact CG1-CD1 3.95Å; I199-L239 HydrophobicContact CG2-CD2 3.7Å; I199-V242 HydrophobicContact CB-CG2 4.32Å; I199-V242 HydrophobicContact CD1-CG2 4.49Å; I199-V242 HydrophobicContact CG2-CB 4.46Å; I199-V242 HydrophobicContact CG2-CG1 4.38Å; I199-V242 HydrophobicContact CG2-CG2 4.07Å
200Q96.9Very high95.9Very high20 Ų2039.9 Ų39.99%0.09322%0.215CC..Hα-helixtrans-57.8-42.8178.2-72.6-176.6-32.800111.4F178 H196 L202 Q203 E204 V242 D246F178-Q200 HydrophobicContact CE1-CB 4.39Å; F178-Q200 HydrophobicContact CZ-CB 3.76Å; H196-Q200 WeakPolarHBondContact O-CB 3.42Å; H196-Q200 VanDerWaalsContact O-CG 3.32Å; H196-Q200 WeakPolarHBondContact O-CG 3.25Å; H196-Q200 PolarHBondContact O-N 3.1Å; Q200-L202 VanDerWaalsContact C-N 3.28Å; Q200-L202 PolarHBondContact O-N 3.12Å; Q200-Q203 PolarHBondContact O-N 3.02Å; Q200-E204 WeakPolarHBondContact O-CB 3.25Å; Q200-E204 PolarHBondContact O-N 3.39Å; Q200-V242 HydrophobicContact CG-CG1 3.6Å; Q200-D246 PolarHBondContact NE2-OD1 2.98Å
201C97.7Very high95.9Very high0 Ų041.1 Ų41.10%022%0.215CC..Hα-helixtrans-58-42.7176.3-177.90000111.9V40 F178 L179 C197 I199 S205V40-C201 HydrophobicContact CG1-CB 4.24Å; F178-C201 VanDerWaalsContact CD1-CA 3.42Å; F178-C201 HydrophobicContact CD1-CB 3.36Å; F178-C201 VanDerWaalsContact CE1-CA 3.47Å; F178-C201 HydrophobicContact CE1-CB 3.54Å; F178-C201 HydrophobicContact CG-CB 4.3Å; L179-C201 HydrophobicContact CD2-CB 4.11Å; C197-C201 WeakPolarHBondContact O-CB 3.39Å; C197-C201 PolarHBondContact O-N 3.07Å; I199-C201 VanDerWaalsContact C-N 3.3Å; I199-C201 PolarHBondContact O-N 3.37Å; C201-S205 WeakPolarHBondContact O-CB 3.38Å; C201-S205 PolarHBondContact O-N 2.76Å; C201-S205 PolarHBondContact O-OG 3.45Å
202L97.2Very high95.8Very high0 Ų039.5 Ų39.50%021%0.21CC..Hα-helixtrans-71.8-45.1-179.5-171.363.1000111.1T38 V40 I51 Q53 A198 I199 Q200 S205 V206 L210 V215T38-L202 HydrophobicContact CG2-CD1 4.04Å; V40-L202 HydrophobicContact CG2-CD1 4.41Å; I51-L202 HydrophobicContact CD1-CB 4.38Å; I51-L202 HydrophobicContact CD1-CD2 3.69Å; I51-L202 HydrophobicContact CG1-CD2 3.67Å; I51-L202 HydrophobicContact CG2-CB 4.38Å; I51-L202 HydrophobicContact CG2-CD2 4.28Å; Q53-L202 HydrophobicContact CG-CD1 4.06Å; Q53-L202 HydrophobicContact CG-CD2 4.03Å; Q53-L202 HydrophobicContact CG-CG 4.4Å; A198-L202 PolarHBondContact O-N 3.42Å; A198-L202 VanDerWaalsContact O-N 3.12Å; I199-L202 PolarHBondContact O-N 3.45Å; Q200-L202 VanDerWaalsContact C-N 3.28Å; Q200-L202 PolarHBondContact O-N 3.12Å; L202-S205 PolarHBondContact O-N 2.79Å; L202-S205 PolarHBondContact O-OG 3.16Å; L202-V206 HydrophobicContact CD1-CG2 3.9Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CB 3.49Å; L202-V206 VanDerWaalsContact O-CG2 3.25Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.17Å; L202-L210 HydrophobicContact CB-CD1 4.07Å; L202-L210 HydrophobicContact CD2-CD1 3.95Å; L202-L210 HydrophobicContact CD2-CD2 4.33Å; L202-L210 HydrophobicContact CG-CD1 4.09Å; L202-L210 HydrophobicContact CG-CD2 4.41Å; L202-V215 HydrophobicContact CD2-CG1 3.92Å
203Q96.3Very high95.8Very high29 Ų2940 Ų4014%0.13621%0.213CC..Hα-helixtrans-54.6-53.6174.6-80.1174.5-64.200111.8I199 Q200 S205 V206 G207 I208 D209 L210I199-Q203 PolarHBondContact O-N 3.18Å; Q200-Q203 PolarHBondContact O-N 3.02Å; Q203-S205 PolarHBondContact O-N 2.67Å; Q203-V206 PolarHBondContact O-N 3.18Å; Q203-G207 WeakPolarHBondContact O-CA 3.42Å; Q203-G207 PolarHBondContact O-N 3.38Å; Q203-I208 PolarHBondContact O-N 2.7Å; Q203-D209 PolarHBondContact NE2-OD1 2.87Å; Q203-L210 HydrophobicContact CG-CB 4.37Å; Q203-L210 HydrophobicContact CG-CD1 3.65Å; Q203-L210 HydrophobicContact CG-CG 3.63Å
204E95.9Very high95.7Very high128 Ų12838.8 Ų38.860%0.59821%0.207SC*.Hα-helixtrans-65.6-38.8-178.5-74.2-166.2-15600112.6F178 Q200 V206F178-E204 HydrophobicContact CD2-CB 4.37Å; F178-E204 VanDerWaalsContact CD2-CD 3.44Å; F178-E204 HydrophobicContact CD2-CG 4.36Å; F178-E204 WeakPolarHBondContact CD2-OE2 3.5Å; F178-E204 HydrophobicContact CE2-CG 4.29Å; F178-E204 WeakPolarHBondContact CE2-OE1 3.13Å; F178-E204 WeakPolarHBondContact CE2-OE2 3.43Å; Q200-E204 WeakPolarHBondContact O-CB 3.25Å; Q200-E204 PolarHBondContact O-N 3.39Å; E204-V206 VanDerWaalsContact C-N 3.35Å
205S95.7Very high95.7Very high6 Ų639 Ų394%0.04221%0.209CC..Hα-helixtrans-69.5-33.6-179.469.70000113.1K171 C201 L202 Q203K171-S205 WeakPolarHBondContact CB-O 3.4Å; K171-S205 WeakPolarHBondContact CG-O 3.39Å; C201-S205 WeakPolarHBondContact O-CB 3.38Å; C201-S205 PolarHBondContact O-N 2.76Å; C201-S205 PolarHBondContact O-OG 3.45Å; L202-S205 PolarHBondContact O-N 2.79Å; L202-S205 PolarHBondContact O-OG 3.16Å; Q203-S205 PolarHBondContact O-N 2.67Å
206V94.1Very high95.7Very high25 Ų2540.6 Ų40.615%0.15222%0.216CC..Hα-helixtrans-87-32.1179.51780000111.3L202 Q203 E204 I208L202-V206 HydrophobicContact CD1-CG2 3.9Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CB 3.49Å; L202-V206 VanDerWaalsContact O-CG2 3.25Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.17Å; Q203-V206 PolarHBondContact O-N 3.18Å; E204-V206 VanDerWaalsContact C-N 3.35Å; V206-I208 HydrophobicContact CG1-CB 4.25Å; V206-I208 HydrophobicContact CG1-CD1 3.94Å; V206-I208 HydrophobicContact CG1-CG1 4.03Å
207G93.6Very high95.8Very high64 Ų6440.3 Ų40.366%0.6622%0.215SC*.THydrogen-bonded Turntrans7929.9-176.800000113.8Q203Q203-G207 WeakPolarHBondContact O-CA 3.42Å; Q203-G207 PolarHBondContact O-N 3.38Å
208I91.7Very high95.8Very high100 Ų10040.2 Ų40.251%0.51321%0.214SC..SBendtrans-142.6142.4-177.6-52.3173.8000109Q203 V206 L210Q203-I208 PolarHBondContact O-N 2.7Å; V206-I208 HydrophobicContact CG1-CB 4.25Å; V206-I208 HydrophobicContact CG1-CD1 3.94Å; V206-I208 HydrophobicContact CG1-CG1 4.03Å; I208-L210 PolarHBondContact O-N 2.95Å
209D92.6Very high95.8Very high127 Ų12740.9 Ų40.968%0.67922%0.218SC*.PPolyproline II helixtrans-69.7124.1168.1-66.1-40.5000111Q203Q203-D209 PolarHBondContact NE2-OD1 2.87Å
210L94.2Very high95.8Very high15 Ų1540.9 Ų40.98%0.07922%0.218CC..PPolyproline II helixtrans-78.4135.3-174-60.3166.7000110.2I51 L202 Q203 I208 V215 L239I51-L210 HydrophobicContact CD1-CD1 4.31Å; L202-L210 HydrophobicContact CB-CD1 4.07Å; L202-L210 HydrophobicContact CD2-CD1 3.95Å; L202-L210 HydrophobicContact CD2-CD2 4.33Å; L202-L210 HydrophobicContact CG-CD1 4.09Å; L202-L210 HydrophobicContact CG-CD2 4.41Å; Q203-L210 HydrophobicContact CG-CB 4.37Å; Q203-L210 HydrophobicContact CG-CD1 3.65Å; Q203-L210 HydrophobicContact CG-CG 3.63Å; I208-L210 PolarHBondContact O-N 2.95Å; L210-V215 HydrophobicContact CB-CG1 4.27Å; L210-V215 HydrophobicContact CD1-CG1 3.97Å; L210-V215 HydrophobicContact CD2-CG1 3.83Å; L210-V215 HydrophobicContact CG-CG1 4.23Å; L210-L239 HydrophobicContact CB-CD2 4.02Å; L210-L239 WeakPolarHBondContact O-CD1 3.36Å
211R95.2Very high95.8Very high128 Ų12841 Ų4148%0.48322%0.22SC..PPolyproline II helixtrans-92.5152.7167.4-56.2-178.7-67.3123.30.8110.5D213 E214R211-D213 WeakPolarHBondContact CB-OD1 3.45Å; R211-D213 IonicContact CZ-OD1 3.52Å; R211-D213 IonicContact CZ-OD2 2.79Å; R211-D213 IonicContact NH1-OD1 3.59Å; R211-D213 PolarHBondContact NH1-OD1 3.16Å; R211-D213 IonicContact NH1-OD2 3.72Å; R211-D213 PolarHBondContact NH1-OD2 3.28Å; R211-D213 IonicContact NH2-OD2 3.18Å; R211-D213 PolarHBondContact O-N 3.31Å; R211-D213 VanDerWaalsContact O-N 3.13Å; R211-E214 HydrophobicContact CB-CG 4.03Å; R211-E214 IonicContact CZ-OE1 3.79Å; R211-E214 PolarHBondContact N-OE2 3.41Å; R211-E214 IonicContact NE-OE1 3.4Å; R211-E214 PolarHBondContact NE-OE1 3.04Å; R211-E214 IonicContact NE-OE2 2.91Å; R211-E214 IonicContact NH2-OE1 3.72Å; R211-E214 PolarHBondContact NH2-OE1 3.43Å; R211-E214 WeakPolarHBondContact O-CB 3.39Å; R211-E214 PolarHBondContact O-N 3.39Å
212P95.5Very high95.8Very high30 Ų3044 Ų4420%0.19524%0.239CC..G310 helixtrans-56.4-31.6-178.9-24.131.6000114.3E214 L232 I235 E236 L239P212-E214 VanDerWaalsContact C-N 3.33Å; P212-L232 HydrophobicContact CB-CD2 4.19Å; P212-L232 VanDerWaalsContact O-CD2 3.28Å; P212-L232 WeakPolarHBondContact O-CD2 3.43Å; P212-I235 HydrophobicContact CB-CB 4.44Å; P212-I235 HydrophobicContact CB-CG2 4.09Å; P212-E236 HydrophobicContact CB-CB 4.46Å; P212-E236 HydrophobicContact CG-CB 3.81Å; P212-E236 HydrophobicContact CG-CG 4.19Å; P212-L239 HydrophobicContact CB-CD1 4.44Å; P212-L239 HydrophobicContact CG-CD1 3.92Å
213D94.4Very high95.7Very high81 Ų8151.2 Ų51.243%0.43328%0.277SS..G310 helixtrans-78.5-11178.259.3-48.1000114.3R211R211-D213 WeakPolarHBondContact CB-OD1 3.45Å; R211-D213 IonicContact CZ-OD1 3.52Å; R211-D213 IonicContact CZ-OD2 2.79Å; R211-D213 IonicContact NH1-OD1 3.59Å; R211-D213 PolarHBondContact NH1-OD1 3.16Å; R211-D213 IonicContact NH1-OD2 3.72Å; R211-D213 PolarHBondContact NH1-OD2 3.28Å; R211-D213 IonicContact NH2-OD2 3.18Å; R211-D213 PolarHBondContact O-N 3.31Å; R211-D213 VanDerWaalsContact O-N 3.13Å
214E94.7Very high95.7Very high53 Ų5354.9 Ų54.925%0.24830%0.295CS..G310 helixtrans-98.50.5-176.7-66179153.600113.7K54 R211 P212K54-E214 PolarHBondContact N-O 2.8Å; K54-E214 CarbonylContact O-C 3.57Å; K54-E214 WeakPolarHBondContact O-CA 3.32Å; R211-E214 HydrophobicContact CB-CG 4.03Å; R211-E214 IonicContact CZ-OE1 3.79Å; R211-E214 PolarHBondContact N-OE2 3.41Å; R211-E214 IonicContact NE-OE1 3.4Å; R211-E214 PolarHBondContact NE-OE1 3.04Å; R211-E214 IonicContact NE-OE2 2.91Å; R211-E214 IonicContact NH2-OE1 3.72Å; R211-E214 PolarHBondContact NH2-OE1 3.43Å; R211-E214 WeakPolarHBondContact O-CB 3.39Å; R211-E214 PolarHBondContact O-N 3.39Å; P212-E214 VanDerWaalsContact C-N 3.33Å
215V96.8Very high95.7Very high4 Ų449.6 Ų49.62%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-140.2154.9179.9-670000112.4I51 V52 L202 L210 I217 I235I51-V215 HydrophobicContact CD1-CB 4.3Å; I51-V215 HydrophobicContact CD1-CG1 4.23Å; I51-V215 HydrophobicContact CG1-CB 4.25Å; I51-V215 HydrophobicContact CG1-CG1 4.37Å; V52-V215 WeakPolarHBondContact O-CA 3.4Å; L202-V215 HydrophobicContact CD2-CG1 3.92Å; L210-V215 HydrophobicContact CB-CG1 4.27Å; L210-V215 HydrophobicContact CD1-CG1 3.97Å; L210-V215 HydrophobicContact CD2-CG1 3.83Å; L210-V215 HydrophobicContact CG-CG1 4.23Å; V215-I217 HydrophobicContact CG2-CG1 4.47Å; V215-I235 HydrophobicContact CG2-CG2 3.86Å
216E97.5Very high95.7Very high33 Ų3355.4 Ų55.415%0.15430%0.298CS..EExtended strand (participates in β ladder)trans-117.5132.2164.4-61.2175.2116.400107.8I51 V52 K54 S67 N68 M69I51-E216 WeakPolarHBondContact CA-O 2.98Å; V52-E216 HydrophobicContact CG1-CB 3.93Å; V52-E216 PolarHBondContact N-O 2.89Å; V52-E216 PolarHBondContact O-N 2.75Å; K54-E216 HydrophobicContact CB-CG 4.3Å; K54-E216 HydrophobicContact CD-CG 3.97Å; S67-E216 VanDerWaalsContact CA-OE2 3.32Å; S67-E216 WeakPolarHBondContact CA-OE2 3.27Å; S67-E216 WeakPolarHBondContact CB-OE1 3.3Å; S67-E216 PolarHBondContact OG-OE1 3.08Å; S67-E216 PolarHBondContact OG-OE2 2.89Å; N68-E216 PolarHBondContact N-OE2 3.04Å; N68-E216 VanDerWaalsContact N-OE2 3.09Å; M69-E216 HydrophobicContact CB-CB 4.41Å; M69-E216 HydrophobicContact CE-CB 4.12Å; M69-E216 WeakPolarHBondContact CE-O 3.33Å; M69-E216 HydrophobicContact SD-CB 4.19Å
217I98.2Very high95.9Very high1 Ų156 Ų561%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-122130.4177.9-58.9-179.7000108.5A50 I51 I199 V215 V219 A229 L230 I235A50-I217 CarbonylContact O-C 3.54Å; A50-I217 WeakPolarHBondContact O-CA 3.4Å; I51-I217 HydrophobicContact CB-CG1 4.2Å; I51-I217 HydrophobicContact CD1-CD1 3.87Å; I51-I217 HydrophobicContact CD1-CG1 3.82Å; I51-I217 HydrophobicContact CG1-CD1 4.37Å; I51-I217 HydrophobicContact CG1-CG1 3.74Å; I199-I217 HydrophobicContact CD1-CD1 3.97Å; I199-I217 HydrophobicContact CG1-CD1 3.95Å; V215-I217 HydrophobicContact CG2-CG1 4.47Å; I217-V219 HydrophobicContact CG2-CG2 3.97Å; I217-A229 CarbonylContact O-C 3.56Å; I217-A229 WeakPolarHBondContact O-CA 3.45Å; I217-L230 HydrophobicContact CB-CB 4.43Å; I217-L230 HydrophobicContact CB-CD1 3.99Å; I217-L230 HydrophobicContact CB-CG 4.26Å; I217-L230 HydrophobicContact CG2-CD1 3.63Å; I217-L230 HydrophobicContact CG2-CG 4.11Å; I217-L230 PolarHBondContact O-N 3.35Å; I217-I235 HydrophobicContact CB-CG1 4.38Å; I217-I235 HydrophobicContact CD1-CG1 4.21Å; I217-I235 HydrophobicContact CD1-CG2 4.17Å; I217-I235 HydrophobicContact CG1-CG1 4.37Å
218C98.3Very high95.8Very high0 Ų058.1 Ų58.10%029%0.286CS..EExtended strand (participates in β ladder)trans-117134.3167.8177.10000109.2A50 M69 F141 F227 R228A50-C218 PolarHBondContact N-O 3.36Å; A50-C218 PolarHBondContact O-N 3.05Å; M69-C218 HydrophobicContact CE-CB 3.81Å; M69-C218 HydrophobicContact CG-CB 4.43Å; M69-C218 HydrophobicContact SD-CB 3.35Å; M69-C218 WeakPolarHBondContact SD-CB 2.98Å; F141-C218 HydrophobicContact CE2-CB 4.13Å; F141-C218 HydrophobicContact CZ-CB 4.07Å; C218-F227 HydrophobicContact CB-CE2 4.19Å; C218-R228 WeakPolarHBondContact CA-O 3.46Å; C218-R228 PolarHBondContact SG-O 2.92Å
219V98Very high96Very high14 Ų1456 Ų569%0.08528%0.284CS..EExtended strand (participates in β ladder)trans-123.1129178.1-176.30000108.9T47 I48 I195 I217 T221 R228 L230T47-V219 HydrophobicContact CG2-CG1 3.84Å; I48-V219 WeakPolarHBondContact O-CA 3.38Å; I195-V219 HydrophobicContact CD1-CG1 4.18Å; I195-V219 HydrophobicContact CD1-CG2 3.93Å; I195-V219 HydrophobicContact CG1-CG2 4.08Å; I217-V219 HydrophobicContact CG2-CG2 3.97Å; V219-T221 HydrophobicContact CG1-CG2 4.3Å; V219-R228 PolarHBondContact N-O 3.05Å; V219-L230 HydrophobicContact CB-CD2 4.41Å; V219-L230 HydrophobicContact CG2-CD1 3.89Å; V219-L230 HydrophobicContact CG2-CD2 4.14Å; V219-L230 HydrophobicContact CG2-CG 4.08Å
220L97.9Very high96.2Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-115.9141.7170.7-62.1176.6000108.7T47 I48 F141 I143 E226T47-L220 CarbonylContact C-O 3.51Å; T47-L220 VanDerWaalsContact CA-O 3.24Å; T47-L220 WeakPolarHBondContact CA-O 3.44Å; I48-L220 HydrophobicContact CB-CB 4.49Å; I48-L220 PolarHBondContact N-O 3.13Å; I48-L220 PolarHBondContact O-N 3.21Å; F141-L220 HydrophobicContact CD2-CD1 3.61Å; F141-L220 HydrophobicContact CD2-CG 4.27Å; F141-L220 HydrophobicContact CE2-CD1 4.18Å; F141-L220 HydrophobicContact CE2-CG 4.48Å; I143-L220 HydrophobicContact CD1-CB 3.97Å; I143-L220 HydrophobicContact CG1-CB 3.82Å; L220-E226 VanDerWaalsContact CD2-C 3.45Å; L220-E226 WeakPolarHBondContact CD2-O 3.36Å
221T97.2Very high96.3Very high22 Ų2252.8 Ų52.814%0.13527%0.271CS..EExtended strand (participates in β ladder)trans-130161.8172.271.20000111.1N46 T47 V219 D223 Q224 P225N46-T221 WeakPolarHBondContact O-CA 3.37Å; T47-T221 HydrophobicContact CG2-CG2 4.33Å; V219-T221 HydrophobicContact CG1-CG2 4.3Å; T221-D223 PolarHBondContact O-N 3.47Å; T221-Q224 PolarHBondContact N-O 2.95Å; T221-Q224 CarbonylContact O-C 3.57Å; T221-Q224 PolarHBondContact O-N 3.2Å; T221-Q224 VanDerWaalsContact O-N 3.14Å; T221-Q224 VanDerWaalsContact O-O 3.07Å; T221-Q224 PolarHBondContact OG1-N 3.14Å; T221-P225 WeakPolarHBondContact O-CA 3.33Å; T221-P225 VanDerWaalsContact O-N 3.11Å
222T96.2Very high96.3Very high65 Ų6551.7 Ų51.740%0.39927%0.274SS..SBendtrans-56.4-35174.9-52.50000112.3N46N46-T222 WeakPolarHBondContact CB-OG1 3.36Å; N46-T222 PolarHBondContact O-N 3.43Å; N46-T222 VanDerWaalsContact O-N 3.09Å
223D95.8Very high96.4Very high150 Ų15057.8 Ų57.880%0.80230%0.3SS*.SBendtrans-81.1-27.3178.8-54.5-41.1000112.9T221T221-D223 PolarHBondContact O-N 3.47Å
224Q95.5Very high96.5Very high107 Ų10756.5 Ų56.550%0.529%0.291SS..  trans-128.477.3176.9-64.5-176.14.100109.5T221 E226T221-Q224 PolarHBondContact N-O 2.95Å; T221-Q224 CarbonylContact O-C 3.57Å; T221-Q224 PolarHBondContact O-N 3.2Å; T221-Q224 VanDerWaalsContact O-N 3.14Å; T221-Q224 VanDerWaalsContact O-O 3.07Å; T221-Q224 PolarHBondContact OG1-N 3.14Å; Q224-E226 PolarHBondContact O-N 3.48Å
225P96.7Very high96.7Very high17 Ų1754.2 Ų54.211%0.1128%0.28CS..  trans-81.3-3.4-174.232.3-35.5000113.2R75 I143 T221R75-P225 WeakPolarHBondContact CA-O 3.44Å; R75-P225 VanDerWaalsContact NH2-CG 3.25Å; I143-P225 HydrophobicContact CB-CB 3.92Å; I143-P225 HydrophobicContact CG1-CB 4.19Å; I143-P225 HydrophobicContact CG2-CB 4.41Å; T221-P225 WeakPolarHBondContact O-CA 3.33Å; T221-P225 VanDerWaalsContact O-N 3.11Å
226E96.6Very high96.7Very high127 Ų12759.6 Ų59.659%0.59331%0.305SS*.SBendtrans-76.7143.5178.1-65178.2177.800111.2E74 L220 Q224 R228E74-E226 CarbonylContact O-C 3.59Å; E74-E226 VanDerWaalsContact O-CA 3.27Å; E74-E226 WeakPolarHBondContact O-CA 3.24Å; L220-E226 VanDerWaalsContact CD2-C 3.45Å; L220-E226 WeakPolarHBondContact CD2-O 3.36Å; Q224-E226 PolarHBondContact O-N 3.48Å; E226-R228 PolarHBondContact O-N 3.33Å; E226-R228 VanDerWaalsContact O-N 3.16Å
227F96.5Very high96.7Very high39 Ų3963.8 Ų63.817%0.17132%0.323CS..  trans-57.3118.9176.7178.2-87.1000111M69 R71 E74 G77 F141 C218 A229M69-F227 HydrophobicContact CG-CE2 4.17Å; M69-F227 HydrophobicContact CG-CZ 3.93Å; M69-F227 HydrophobicContact SD-CZ 4.3Å; R71-F227 HydrophobicContact CB-CB 4.43Å; R71-F227 HydrophobicContact CB-CD1 3.63Å; R71-F227 HydrophobicContact CB-CD2 4.36Å; R71-F227 HydrophobicContact CB-CE1 3.92Å; R71-F227 HydrophobicContact CB-CG 3.87Å; R71-F227 HydrophobicContact CB-CZ 4.39Å; R71-F227 HydrophobicContact CG-CB 3.8Å; R71-F227 HydrophobicContact CG-CD1 3.85Å; R71-F227 HydrophobicContact CG-CG 3.79Å; E74-F227 PolarHBondContact O-N 2.99Å; G77-F227 VanDerWaalsContact CA-CD2 3.45Å; F141-F227 HydrophobicContact CE2-CD2 4.39Å; F141-F227 HydrophobicContact CE2-CE2 4.4Å; F141-F227 HydrophobicContact CZ-CE2 4.23Å; C218-F227 HydrophobicContact CB-CE2 4.19Å; F227-A229 HydrophobicContact CE1-CB 4.4Å
228R92.5Very high96.6Very high108 Ų10865.1 Ų65.141%0.40833%0.328SS..  trans-137107.2178.7-178.7-179.1170.9-177.2-0.3110.8C218 V219 E226 E234C218-R228 WeakPolarHBondContact CA-O 3.46Å; C218-R228 PolarHBondContact SG-O 2.92Å; V219-R228 PolarHBondContact N-O 3.05Å; E226-R228 PolarHBondContact O-N 3.33Å; E226-R228 VanDerWaalsContact O-N 3.16Å; R228-E234 IonicContact CZ-OE1 2.8Å; R228-E234 IonicContact NH2-OE1 3.8Å; R228-E234 PolarHBondContact NH2-OE1 2.76Å
229A95.5Very high96.5Very high55 Ų5566 Ų6646%0.45533%0.333SS..BIsolated β-bridgetrans-72.2134.2162.900000109.4I217 F227I217-A229 CarbonylContact O-C 3.56Å; I217-A229 WeakPolarHBondContact O-CA 3.45Å; F227-A229 HydrophobicContact CE1-CB 4.4Å
230L96.9Very high96.4Very high21 Ų2168 Ų6811%0.1135%0.348CS..PPolyproline II helixtrans-70144.4175.9-61.9-171.9000110.5I217 V219 E234 I235 Y238I217-L230 HydrophobicContact CB-CB 4.43Å; I217-L230 HydrophobicContact CB-CD1 3.99Å; I217-L230 HydrophobicContact CB-CG 4.26Å; I217-L230 HydrophobicContact CG2-CD1 3.63Å; I217-L230 HydrophobicContact CG2-CG 4.11Å; I217-L230 PolarHBondContact O-N 3.35Å; V219-L230 HydrophobicContact CB-CD2 4.41Å; V219-L230 HydrophobicContact CG2-CD1 3.89Å; V219-L230 HydrophobicContact CG2-CD2 4.14Å; V219-L230 HydrophobicContact CG2-CG 4.08Å; L230-E234 HydrophobicContact CB-CB 4.13Å; L230-E234 HydrophobicContact CD1-CB 4.5Å; L230-E234 HydrophobicContact CD2-CB 4.49Å; L230-I235 HydrophobicContact CB-CD1 4.37Å; L230-I235 HydrophobicContact CB-CG1 3.8Å; L230-Y238 HydrophobicContact CD1-CD2 3.84Å; L230-Y238 HydrophobicContact CD1-CE2 3.75Å
231S96.6Very high96.3Very high53 Ų5370.4 Ų70.437%0.37136%0.359SS..PPolyproline II helixtrans-71.4161.1169.865.10000111.5Q233 E234 I235S231-Q233 PolarHBondContact O-N 3.33Å; S231-E234 WeakPolarHBondContact CB-OE2 3.33Å; S231-E234 PolarHBondContact N-OE2 3.2Å; S231-E234 PolarHBondContact O-N 3.41Å; S231-E234 VanDerWaalsContact O-N 3.12Å; S231-E234 WeakPolarHBondContact OG-CG 3.5Å; S231-E234 PolarHBondContact OG-N 2.9Å; S231-E234 PolarHBondContact OG-OE2 2.88Å; S231-I235 WeakPolarHBondContact O-CG1 3.41Å; S231-I235 PolarHBondContact O-N 2.97Å
232L95.9Very high96.1Very high105 Ų10569.4 Ų69.455%0.5535%0.353SS..Hα-helixtrans-56.3-37.1177.3-67.1175.7000112.7P212 I235 E236P212-L232 HydrophobicContact CB-CD2 4.19Å; P212-L232 VanDerWaalsContact O-CD2 3.28Å; P212-L232 WeakPolarHBondContact O-CD2 3.43Å; L232-I235 PolarHBondContact O-N 2.87Å; L232-E236 VanDerWaalsContact O-CB 3.32Å; L232-E236 WeakPolarHBondContact O-CB 3.46Å; L232-E236 PolarHBondContact O-N 2.71Å
233Q97.2Very high95.9Very high159 Ų15969.3 Ų69.374%0.74336%0.358SS*.Hα-helixtrans-66.8-39.2178.5-66.4175.10.700112.2S231 K237S231-Q233 PolarHBondContact O-N 3.33Å; Q233-K237 PolarHBondContact O-N 3.09Å
234E97.1Very high95.6Very high54 Ų5468.7 Ų68.725%0.25236%0.355SS..Hα-helixtrans-69.5-41176.1-70165.7129.400111.1R228 L230 S231 K237 Y238R228-E234 IonicContact CZ-OE1 2.8Å; R228-E234 IonicContact NH2-OE1 3.8Å; R228-E234 PolarHBondContact NH2-OE1 2.76Å; L230-E234 HydrophobicContact CB-CB 4.13Å; L230-E234 HydrophobicContact CD1-CB 4.5Å; L230-E234 HydrophobicContact CD2-CB 4.49Å; S231-E234 WeakPolarHBondContact CB-OE2 3.33Å; S231-E234 PolarHBondContact N-OE2 3.2Å; S231-E234 PolarHBondContact O-N 3.41Å; S231-E234 VanDerWaalsContact O-N 3.12Å; S231-E234 WeakPolarHBondContact OG-CG 3.5Å; S231-E234 PolarHBondContact OG-N 2.9Å; S231-E234 PolarHBondContact OG-OE2 2.88Å; E234-K237 WeakPolarHBondContact O-CB 3.41Å; E234-K237 PolarHBondContact O-N 2.76Å; E234-Y238 WeakPolarHBondContact O-CD2 3.47Å; E234-Y238 PolarHBondContact O-N 2.85Å; E234-Y238 VanDerWaalsContact O-N 3.09Å
235I97.6Very high94.8Very high4 Ų470.1 Ų70.12%0.02136%0.359CS..Hα-helixtrans-61.5-46.9175.5-64.6169.6000110P212 V215 I217 L230 S231 L232 K237 Y238 L239P212-I235 HydrophobicContact CB-CB 4.44Å; P212-I235 HydrophobicContact CB-CG2 4.09Å; V215-I235 HydrophobicContact CG2-CG2 3.86Å; I217-I235 HydrophobicContact CB-CG1 4.38Å; I217-I235 HydrophobicContact CD1-CG1 4.21Å; I217-I235 HydrophobicContact CD1-CG2 4.17Å; I217-I235 HydrophobicContact CG1-CG1 4.37Å; L230-I235 HydrophobicContact CB-CD1 4.37Å; L230-I235 HydrophobicContact CB-CG1 3.8Å; S231-I235 WeakPolarHBondContact O-CG1 3.41Å; S231-I235 PolarHBondContact O-N 2.97Å; L232-I235 PolarHBondContact O-N 2.87Å; I235-K237 VanDerWaalsContact C-N 3.33Å; I235-K237 PolarHBondContact O-N 3.19Å; I235-Y238 PolarHBondContact O-N 3.25Å; I235-L239 HydrophobicContact CG2-CD1 3.77Å; I235-L239 HydrophobicContact CG2-CG 4.26Å; I235-L239 WeakPolarHBondContact O-CG 3.49Å; I235-L239 PolarHBondContact O-N 2.91Å
236E97.2Very high93Very high117 Ų11777 Ų7755%0.54740%0.395SS..Hα-helixtrans-57.9-44177.3-175172.7-164.800112P212 L232 Y238 L239 S240P212-E236 HydrophobicContact CB-CB 4.46Å; P212-E236 HydrophobicContact CG-CB 3.81Å; P212-E236 HydrophobicContact CG-CG 4.19Å; L232-E236 VanDerWaalsContact O-CB 3.32Å; L232-E236 WeakPolarHBondContact O-CB 3.46Å; L232-E236 PolarHBondContact O-N 2.71Å; E236-Y238 PolarHBondContact O-N 2.8Å; E236-L239 PolarHBondContact O-N 2.6Å; E236-S240 PolarHBondContact O-N 2.77Å; E236-S240 PolarHBondContact O-OG 2.74Å
237K97.1Very high92.9Very high121 Ų12174.5 Ų74.553%0.52639%0.385SS..Hα-helixtrans-56.3-52.6173.7-180-177.3170.3-175.60111.5Q233 E234 I235 L239 S240 E241Q233-K237 PolarHBondContact O-N 3.09Å; E234-K237 WeakPolarHBondContact O-CB 3.41Å; E234-K237 PolarHBondContact O-N 2.76Å; I235-K237 VanDerWaalsContact C-N 3.33Å; I235-K237 PolarHBondContact O-N 3.19Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-L239 PolarHBondContact O-N 3.22Å; K237-S240 PolarHBondContact O-N 2.95Å; K237-S240 PolarHBondContact O-OG 3.26Å; K237-E241 WeakPolarHBondContact CE-OE1 3.36Å; K237-E241 IonicContact NZ-OE1 3.27Å; K237-E241 WeakPolarHBondContact O-CG 3.47Å; K237-E241 PolarHBondContact O-N 3.07Å
238Y96.8Very high92.7Very high29 Ų2976.4 Ų76.411%0.11440%0.397CS..Hα-helixtrans-65.1-34.8-179.8-73-63.8000113.3I195 L230 E234 I235 E236 E241 V242I195-Y238 HydrophobicContact CB-CD1 4.43Å; I195-Y238 HydrophobicContact CB-CE1 4.42Å; I195-Y238 HydrophobicContact CD1-CD1 4.47Å; I195-Y238 HydrophobicContact CD1-CE1 3.71Å; I195-Y238 HydrophobicContact CD1-CE2 4.01Å; I195-Y238 VanDerWaalsContact CD1-CZ 3.45Å; I195-Y238 WeakPolarHBondContact CD1-OH 3.39Å; I195-Y238 HydrophobicContact CG2-CD1 3.81Å; I195-Y238 HydrophobicContact CG2-CD2 4.06Å; I195-Y238 HydrophobicContact CG2-CE1 4.13Å; I195-Y238 HydrophobicContact CG2-CE2 4.38Å; I195-Y238 HydrophobicContact CG2-CG 3.77Å; L230-Y238 HydrophobicContact CD1-CD2 3.84Å; L230-Y238 HydrophobicContact CD1-CE2 3.75Å; E234-Y238 WeakPolarHBondContact O-CD2 3.47Å; E234-Y238 PolarHBondContact O-N 2.85Å; E234-Y238 VanDerWaalsContact O-N 3.09Å; I235-Y238 PolarHBondContact O-N 3.25Å; E236-Y238 PolarHBondContact O-N 2.8Å; Y238-E241 PolarHBondContact O-N 3.4Å; Y238-V242 WeakPolarHBondContact O-CG2 3.17Å; Y238-V242 PolarHBondContact O-N 3.22Å
239L96.5Very high92.7Very high20 Ų2074.6 Ų74.611%0.10540%0.396CS..Hα-helixtrans-63.4-42.2174.2-71.9169000111.2I199 L210 P212 I235 E236 K237 V242 A243I199-L239 HydrophobicContact CG2-CD2 3.7Å; L210-L239 HydrophobicContact CB-CD2 4.02Å; L210-L239 WeakPolarHBondContact O-CD1 3.36Å; P212-L239 HydrophobicContact CB-CD1 4.44Å; P212-L239 HydrophobicContact CG-CD1 3.92Å; I235-L239 HydrophobicContact CG2-CD1 3.77Å; I235-L239 HydrophobicContact CG2-CG 4.26Å; I235-L239 WeakPolarHBondContact O-CG 3.49Å; I235-L239 PolarHBondContact O-N 2.91Å; E236-L239 PolarHBondContact O-N 2.6Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-L239 PolarHBondContact O-N 3.22Å; L239-V242 PolarHBondContact O-N 3.4Å; L239-A243 PolarHBondContact O-N 3.34Å
240S95.8Very high92.5Very high56 Ų5675.8 Ų75.839%0.39239%0.393SS..Hα-helixtrans-64-41.7174.966.90000112.5E236 K237 V242 A243 D244E236-S240 PolarHBondContact O-N 2.77Å; E236-S240 PolarHBondContact O-OG 2.74Å; K237-S240 PolarHBondContact O-N 2.95Å; K237-S240 PolarHBondContact O-OG 3.26Å; S240-V242 PolarHBondContact O-N 2.63Å; S240-A243 PolarHBondContact O-N 3.24Å; S240-D244 PolarHBondContact O-N 3.3Å
241E95.3Very high92.3Very high50 Ų5079.2 Ų79.223%0.23441%0.41CS..Hα-helixtrans-66.9-24.1177.4-68.5-178.1-167.900113.4H196 K237 Y238 K245H196-E241 IonicContact CE1-OE2 3.73Å; H196-E241 IonicContact NE2-OE2 3.08Å; H196-E241 PolarHBondContact NE2-OE2 2.9Å; K237-E241 WeakPolarHBondContact CE-OE1 3.36Å; K237-E241 IonicContact NZ-OE1 3.27Å; K237-E241 WeakPolarHBondContact O-CG 3.47Å; K237-E241 PolarHBondContact O-N 3.07Å; Y238-E241 PolarHBondContact O-N 3.4Å; E241-K245 WeakPolarHBondContact O-CG 3.34Å
242V93.6Very high92Very high1 Ų180.9 Ų80.91%0.00641%0.413CS..Hα-helixtrans-77.2-45171.91700000110.1H196 I199 Q200 Y238 L239 S240 D244 K245H196-V242 HydrophobicContact CB-CG2 3.92Å; I199-V242 HydrophobicContact CB-CG2 4.32Å; I199-V242 HydrophobicContact CD1-CG2 4.49Å; I199-V242 HydrophobicContact CG2-CB 4.46Å; I199-V242 HydrophobicContact CG2-CG1 4.38Å; I199-V242 HydrophobicContact CG2-CG2 4.07Å; Q200-V242 HydrophobicContact CG-CG1 3.6Å; Y238-V242 WeakPolarHBondContact O-CG2 3.17Å; Y238-V242 PolarHBondContact O-N 3.22Å; L239-V242 PolarHBondContact O-N 3.4Å; S240-V242 PolarHBondContact O-N 2.63Å; V242-D244 VanDerWaalsContact C-N 3.31Å; V242-D244 PolarHBondContact O-N 3.46Å; V242-K245 PolarHBondContact O-N 3.38Å; V242-K245 VanDerWaalsContact O-N 3.14Å
243A91.8Very high91.7Very high62 Ų6279.2 Ų79.251%0.51240%0.403SS..Hα-helixtrans-62.4-34178.500000113.3L239 S240 K245L239-A243 PolarHBondContact O-N 3.34Å; S240-A243 PolarHBondContact O-N 3.24Å; A243-K245 PolarHBondContact O-N 3.42Å
244D89Confident91.3Very high137 Ų13773.1 Ų73.173%0.73338%0.377SS*.THydrogen-bonded Turntrans-72.9-13.8177.6-72.1-20.6000113.8S240 V242S240-D244 PolarHBondContact O-N 3.3Å; V242-D244 VanDerWaalsContact C-N 3.31Å; V242-D244 PolarHBondContact O-N 3.46Å
245K79.4Confident90.8Very high137 Ų13774.7 Ų74.760%0.59639%0.388SS*.THydrogen-bonded Turntrans-96.5-15.9-179.2-75.8-177.8-178.3-178.70113.8H196 E241 V242 A243H196-K245 PolarHBondContact CE1-NZ 3.1Å; H196-K245 VanDerWaalsContact CE1-NZ 3.31Å; H196-K245 PolarHBondContact ND1-NZ 3.1Å; E241-K245 WeakPolarHBondContact O-CG 3.34Å; V242-K245 PolarHBondContact O-N 3.38Å; V242-K245 VanDerWaalsContact O-N 3.14Å; A243-K245 PolarHBondContact O-N 3.42Å
246D59.2Low90.2Very high162 Ų16281.1 Ų81.187%0.86642%0.421SS*.  trans-90.40178.6-66.9-22.9000110.8Q200Q200-D246 PolarHBondContact NE2-OD1 2.98Å

Retrieved 246 of 246 residues in 307.9 ms (Link to these results)

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