A0A096NQS7_PAPAN Loading...

Mothers against decapentaplegic homolog

AlphaFold DB (Q15797), UniProt , Accession A0A096NQS7, Species PAPAN (Papio anubis, Olive baboon), Gene SMAD1, Length 465 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
1M37.6Very low50.3Low237 Ų237128.5 Ų128.5100%1.16770%0.697SS**  0108.70-64.2178.5-147.500107.4
2N36.2Very low53.7Low152 Ų152126.2 Ų126.281%0.81369%0.694SS**  trans-105.298.3-175.3-141.3-4.7000108.4T4N2-T4 VanDerWaalsContact C-N 3.32Å; N2-T4 PolarHBondContact O-N 3.32Å; N2-T4 VanDerWaalsContact O-N 3.14Å
3V44.2Very low56.6Low132 Ų132117.9 Ų117.980%0.865%0.653SS**  trans-85.265.8-175.1-750000110.9
4T42.6Very low59.2Low121 Ų121109.5 Ų109.574%0.74261%0.606SS**  trans-130.610.1178.833.70000114.1N2N2-T4 VanDerWaalsContact C-N 3.32Å; N2-T4 PolarHBondContact O-N 3.32Å; N2-T4 VanDerWaalsContact O-N 3.14Å
5S44.5Very low61.5Low107 Ų107110.7 Ų110.775%0.74860%0.603SS**  trans-111.99.7-172.1-168.50000116.4
6L40.8Very low63.5Low145 Ų145111.8 Ų111.876%0.75960%0.595SS**SBendtrans-105.20.3-166-77169.4000117.6
7F43.4Very low65.4Low175 Ų175105.2 Ų105.277%0.76856%0.56SS**  trans-138.678.4176.8-61.1-75.2000112.9F9F7-F9 HydrophobicContact CB-CD2 4.07Å; F7-F9 HydrophobicContact CB-CE2 3.86Å; F7-F9 PolarHBondContact O-N 3.01Å; F7-F9 VanDerWaalsContact O-N 3.12Å
8S50.4Low67Low89 Ų89101.4 Ų101.462%0.62254%0.54SS*.  trans-72.298.1159.9-57.40000108.3T10S8-T10 PolarHBondContact O-N 3.31Å
9F60.5Low68.4Low195 Ų19599.6 Ų99.686%0.85555%0.548SS*.  trans-71.265.8173.1-83-88.9000110.7F7 S11F7-F9 HydrophobicContact CB-CD2 4.07Å; F7-F9 HydrophobicContact CB-CE2 3.86Å; F7-F9 PolarHBondContact O-N 3.01Å; F7-F9 VanDerWaalsContact O-N 3.12Å; F9-S11 PolarHBondContact O-N 2.98Å
10T69.4Low69.7Low29 Ų2998.1 Ų98.118%0.17853%0.533CS..  trans-71.5127.7165.341.50000108.8S8 V14 K15 E31S8-T10 PolarHBondContact O-N 3.31Å; T10-V14 HydrophobicContact CG2-CG1 4.27Å; T10-K15 WeakPolarHBondContact OG1-CE 3.28Å; T10-K15 VanDerWaalsContact OG1-CG 3.26Å; T10-K15 WeakPolarHBondContact OG1-CG 3.3Å; T10-E31 HydrophobicContact CG2-CG 3.76Å; T10-E31 WeakPolarHBondContact CG2-OE1 3.4Å
11S84Confident70.9Confident31 Ų3195.5 Ų95.522%0.21752%0.517CS..  trans-58.4148177.777.30000110.4F9 A13 V14 K15F9-S11 PolarHBondContact O-N 2.98Å; S11-A13 PolarHBondContact O-N 3.28Å; S11-A13 VanDerWaalsContact O-N 3.08Å; S11-V14 WeakPolarHBondContact O-CA 3.43Å; S11-V14 WeakPolarHBondContact O-CB 3.42Å; S11-V14 PolarHBondContact O-N 3.07Å; S11-V14 VanDerWaalsContact OG-CG2 3.29Å; S11-V14 WeakPolarHBondContact OG-CG2 3.44Å; S11-V14 PolarHBondContact OG-N 3.13Å; S11-K15 PolarHBondContact O-N 3.42Å; S11-K15 VanDerWaalsContact O-N 3.07Å
12P90.5Very high73.5Confident101 Ų10188.7 Ų88.766%0.65648%0.482SS*.Hα-helixtrans-52.9-34.7-180-29.135.3000113.7K15 R16P12-K15 PolarHBondContact O-N 2.73Å; P12-R16 WeakPolarHBondContact O-CB 3.45Å; P12-R16 PolarHBondContact O-N 3.36Å
13A91.5Very high75.9Confident19 Ų1983.3 Ų83.316%0.15746%0.462CS..Hα-helixtrans-64.5-41175.100000112.8S11 R16 L17 V38 M48S11-A13 PolarHBondContact O-N 3.28Å; S11-A13 VanDerWaalsContact O-N 3.08Å; A13-R16 PolarHBondContact O-N 3.27Å; A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 3.19Å; A13-V38 HydrophobicContact CB-CG1 4.04Å; A13-V38 HydrophobicContact CB-CG2 4.42Å; A13-M48 HydrophobicContact CB-CE 3.85Å
14V93.6Very high77.5Confident0 Ų084.2 Ų84.20%046%0.463CS..Hα-helixtrans-65.3-46.5176.41720000110.1T10 S11 R16 L17 L18 V34 D35 V38T10-V14 HydrophobicContact CG2-CG1 4.27Å; S11-V14 WeakPolarHBondContact O-CA 3.43Å; S11-V14 WeakPolarHBondContact O-CB 3.42Å; S11-V14 PolarHBondContact O-N 3.07Å; S11-V14 VanDerWaalsContact OG-CG2 3.29Å; S11-V14 WeakPolarHBondContact OG-CG2 3.44Å; S11-V14 PolarHBondContact OG-N 3.13Å; V14-R16 VanDerWaalsContact C-N 3.29Å; V14-R16 PolarHBondContact O-N 3.22Å; V14-L17 PolarHBondContact O-N 2.92Å; V14-L18 HydrophobicContact CG1-CD1 3.68Å; V14-L18 HydrophobicContact CG1-CG 4.23Å; V14-L18 WeakPolarHBondContact O-CB 3.41Å; V14-L18 VanDerWaalsContact O-CG 3.26Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 2.93Å; V14-V34 HydrophobicContact CB-CG1 4.35Å; V14-V34 HydrophobicContact CG1-CB 4.4Å; V14-V34 HydrophobicContact CG1-CG1 4.02Å; V14-V34 HydrophobicContact CG2-CG1 4.37Å; V14-D35 HydrophobicContact CG2-CB 4.15Å; V14-V38 HydrophobicContact CG2-CB 4.13Å; V14-V38 HydrophobicContact CG2-CG1 4.48Å; V14-V38 HydrophobicContact CG2-CG2 3.82Å
15K92.6Very high78.9Confident128 Ų12886.9 Ų86.956%0.55747%0.467SS*.Hα-helixtrans-57.1-43.2176-69-171.2179.3-1760112T10 S11 P12 L18 G19T10-K15 WeakPolarHBondContact OG1-CE 3.28Å; T10-K15 VanDerWaalsContact OG1-CG 3.26Å; T10-K15 WeakPolarHBondContact OG1-CG 3.3Å; S11-K15 PolarHBondContact O-N 3.42Å; S11-K15 VanDerWaalsContact O-N 3.07Å; P12-K15 PolarHBondContact O-N 2.73Å; K15-L18 PolarHBondContact O-N 3.47Å; K15-G19 PolarHBondContact O-N 3.46Å
16R93.6Very high80.7Confident127 Ų12785.2 Ų85.248%0.47945%0.447SS..Hα-helixtrans-62-52.2177.6-165.1-172.1-61.5145.4-2.6111.3P12 A13 V14 L18 G19 W20 E52P12-R16 WeakPolarHBondContact O-CB 3.45Å; P12-R16 PolarHBondContact O-N 3.36Å; A13-R16 PolarHBondContact O-N 3.27Å; V14-R16 VanDerWaalsContact C-N 3.29Å; V14-R16 PolarHBondContact O-N 3.22Å; R16-L18 VanDerWaalsContact C-N 3.29Å; R16-L18 PolarHBondContact O-N 3.42Å; R16-G19 PolarHBondContact O-N 2.88Å; R16-W20 HydrophobicContact CG-CH2 3.92Å; R16-W20 HydrophobicContact CG-CZ3 3.93Å; R16-W20 WeakPolarHBondContact O-CZ3 3.33Å; R16-E52 VanDerWaalsContact CD-CD 3.44Å; R16-E52 WeakPolarHBondContact CD-OE1 3.26Å; R16-E52 VanDerWaalsContact CD-OE2 3.28Å; R16-E52 WeakPolarHBondContact CD-OE2 3.41Å; R16-E52 IonicContact CZ-OE1 3.3Å; R16-E52 IonicContact CZ-OE2 2.67Å; R16-E52 IonicContact NE-OE1 2.73Å; R16-E52 IonicContact NE-OE2 3.87Å; R16-E52 VanDerWaalsContact NH1-CD 3.35Å; R16-E52 IonicContact NH1-OE1 2.92Å; R16-E52 PolarHBondContact NH1-OE1 3.12Å; R16-E52 IonicContact NH1-OE2 3.9Å; R16-E52 PolarHBondContact NH1-OE2 2.98Å; R16-E52 VanDerWaalsContact NH1-OE2 3.14Å
17L95.7Very high82.8Confident0 Ų084.3 Ų84.30%044%0.439CS..Hα-helixtrans-63.5-31.7179.9-73.5180000113.8A13 V14 G19 W20 V34 V38 M48 L51 E52 L55 W92A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 3.19Å; V14-L17 PolarHBondContact O-N 2.92Å; L17-G19 PolarHBondContact O-N 2.94Å; L17-W20 HydrophobicContact CD2-CE3 4.36Å; L17-W20 HydrophobicContact CD2-CZ3 4.04Å; L17-W20 PolarHBondContact O-N 2.8Å; L17-V34 HydrophobicContact CB-CG1 3.57Å; L17-V34 HydrophobicContact CD1-CG1 3.95Å; L17-V34 HydrophobicContact CG-CG1 4.44Å; L17-V38 HydrophobicContact CD1-CG2 3.64Å; L17-M48 HydrophobicContact CD1-CE 3.81Å; L17-M48 HydrophobicContact CD1-SD 4.36Å; L17-M48 HydrophobicContact CG-CE 4.31Å; L17-L51 HydrophobicContact CD1-CD2 4.04Å; L17-L51 HydrophobicContact CD2-CD2 3.88Å; L17-L51 HydrophobicContact CD2-CG 4.08Å; L17-E52 HydrophobicContact CD2-CG 4.01Å; L17-L55 HydrophobicContact CD2-CD1 3.75Å; L17-W92 HydrophobicContact CB-CZ2 4.35Å; L17-W92 PolarHBondContact O-NE1 3.33Å
18L94.8Very high85.1Confident37 Ų3784 Ų8419%0.19444%0.438CS..Hα-helixtrans-69.4-18.5173.1-72.5170.5000112.8V14 K15 R16 W20 K21 A30 E31 V34V14-L18 HydrophobicContact CG1-CD1 3.68Å; V14-L18 HydrophobicContact CG1-CG 4.23Å; V14-L18 WeakPolarHBondContact O-CB 3.41Å; V14-L18 VanDerWaalsContact O-CG 3.26Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 2.93Å; K15-L18 PolarHBondContact O-N 3.47Å; R16-L18 VanDerWaalsContact C-N 3.29Å; R16-L18 PolarHBondContact O-N 3.42Å; L18-W20 PolarHBondContact O-N 3.3Å; L18-K21 HydrophobicContact CD2-CD 4.39Å; L18-K21 WeakPolarHBondContact O-CB 3.29Å; L18-K21 PolarHBondContact O-N 2.85Å; L18-A30 HydrophobicContact CD2-CB 4.31Å; L18-E31 HydrophobicContact CD1-CB 4.19Å; L18-E31 HydrophobicContact CD1-CG 4.07Å; L18-V34 HydrophobicContact CD2-CB 4.2Å; L18-V34 HydrophobicContact CD2-CG2 3.8Å; L18-V34 HydrophobicContact CG-CB 4.41Å; L18-V34 HydrophobicContact CG-CG1 4.42Å; L18-V34 HydrophobicContact CG-CG2 4.37Å
19G93.5Very high87Confident67 Ų6781.6 Ų81.669%0.69142%0.415SS*.THydrogen-bonded Turntrans-63.5-18.6174.900000114.4K15 R16 L17K15-G19 PolarHBondContact O-N 3.46Å; R16-G19 PolarHBondContact O-N 2.88Å; L17-G19 PolarHBondContact O-N 2.94Å
20W94.6Very high88.6Confident69 Ų6972.5 Ų72.526%0.26138%0.376SS..THydrogen-bonded Turntrans-100.63.9173.7-62.5-83000113.7R16 L17 L18 Q22 E52 L55R16-W20 HydrophobicContact CG-CH2 3.92Å; R16-W20 HydrophobicContact CG-CZ3 3.93Å; R16-W20 WeakPolarHBondContact O-CZ3 3.33Å; L17-W20 HydrophobicContact CD2-CE3 4.36Å; L17-W20 HydrophobicContact CD2-CZ3 4.04Å; L17-W20 PolarHBondContact O-N 2.8Å; L18-W20 PolarHBondContact O-N 3.3Å; W20-Q22 PolarHBondContact O-N 2.83Å; W20-Q22 PolarHBondContact O-NE2 3.37Å; W20-E52 HydrophobicContact CH2-CB 4.36Å; W20-E52 HydrophobicContact CH2-CG 4.2Å; W20-E52 HydrophobicContact CZ3-CG 4.32Å; W20-L55 HydrophobicContact CB-CB 4.33Å; W20-L55 HydrophobicContact CB-CD1 4.35Å; W20-L55 HydrophobicContact CD2-CB 3.7Å; W20-L55 HydrophobicContact CD2-CD1 4.16Å; W20-L55 HydrophobicContact CE3-CB 4.1Å; W20-L55 HydrophobicContact CE3-CD1 3.81Å; W20-L55 HydrophobicContact CG-CB 3.8Å; W20-L55 HydrophobicContact CG-CD1 4.4Å; W20-L55 HydrophobicContact CZ3-CD1 4.44Å; W20-L55 PolarHBondContact NE1-O 3.21Å
21K94.1Very high89.8Confident44 Ų4473.8 Ų73.819%0.19138%0.38CS..  trans-58.6138.4180179.7-179.370.380.50110.1L18 G23 A30 V91L18-K21 HydrophobicContact CD2-CD 4.39Å; L18-K21 WeakPolarHBondContact O-CB 3.29Å; L18-K21 PolarHBondContact O-N 2.85Å; K21-G23 PolarHBondContact NZ-O 3.44Å; K21-A30 HydrophobicContact CD-CB 3.53Å; K21-A30 HydrophobicContact CG-CB 4.39Å; K21-V91 CarbonylContact C-O 3.59Å; K21-V91 WeakPolarHBondContact CA-O 3.34Å; K21-V91 HydrophobicContact CG-CG1 4.37Å
22Q92.8Very high90.3Very high95 Ų9577.2 Ų77.244%0.44439%0.391SS..  trans-99.4141.4174.1-60-59.7-44.400110.4W20 V91 W92 P95W20-Q22 PolarHBondContact O-N 2.83Å; W20-Q22 PolarHBondContact O-NE2 3.37Å; Q22-V91 PolarHBondContact N-O 2.86Å; Q22-W92 WeakPolarHBondContact CG-O 3.2Å; Q22-P95 HydrophobicContact CB-CG 3.5Å; Q22-P95 VanDerWaalsContact CB-CG 3.5Å; Q22-P95 VanDerWaalsContact O-CG 3.26Å; Q22-P95 WeakPolarHBondContact O-CG 3.4Å
23G86.4Confident90.5Very high38 Ų3872.4 Ų72.439%0.39236%0.36SS..  trans69.1159.3178.300000114.4K21K21-G23 PolarHBondContact NZ-O 3.44Å
24D78.6Confident90.7Very high151 Ų15171.5 Ų71.581%0.80735%0.352SS*.SBendtrans-100.8-13.3-177-65.8-35000113.8
25E72.1Confident90.8Very high178 Ų17874 Ų7483%0.83237%0.366SS*.THydrogen-bonded Turntrans-69.7141-179.4-60.5-165.4148.400111.9E27E25-E27 PolarHBondContact O-N 2.8Å
26E81.6Confident90.8Very high72 Ų7269.1 Ų69.134%0.33635%0.349SS..THydrogen-bonded Turntrans59.538.1177.3-50.3-164.8139.400115.7K28 W29 A30 R80 R90E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 2.91Å; E26-W29 HydrophobicContact CB-CB 3.96Å; E26-W29 WeakPolarHBondContact O-CA 3.06Å; E26-W29 WeakPolarHBondContact O-CB 3.28Å; E26-W29 PolarHBondContact O-N 2.82Å; E26-A30 PolarHBondContact O-N 3.46Å; E26-A30 VanDerWaalsContact O-N 3.07Å; E26-R80 VanDerWaalsContact CD-NH1 3.25Å; E26-R80 IonicContact OE1-CZ 3.5Å; E26-R80 VanDerWaalsContact OE1-CZ 3.3Å; E26-R80 IonicContact OE1-NH1 3.61Å; E26-R80 PolarHBondContact OE1-NH1 3.43Å; E26-R80 IonicContact OE1-NH2 3.38Å; E26-R80 PolarHBondContact OE1-NH2 3.05Å; E26-R80 IonicContact OE2-NH1 3.59Å; E26-R80 PolarHBondContact OE2-NH1 2.84Å; E26-R90 IonicContact OE2-NH2 3.04Å
27E86Confident90.9Very high126 Ų12663 Ų6359%0.58933%0.326SS*.Hα-helixtrans-48.8-47.1179.1-172.8-179.7-167.900113.7E25 W29 A30 E31E25-E27 PolarHBondContact O-N 2.8Å; E27-W29 PolarHBondContact O-N 3.42Å; E27-A30 PolarHBondContact O-N 3.28Å; E27-A30 VanDerWaalsContact O-N 3.16Å; E27-E31 PolarHBondContact O-N 3.14Å
28K90.1Very high90.9Very high168 Ų16863.1 Ų63.173%0.7333%0.326SS*.Hα-helixtrans-60.3-29.7177.1-68.1-177.7-179.8176.60113.2E26 K32E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 2.91Å; K28-K32 VanDerWaalsContact O-CG 3.31Å; K28-K32 WeakPolarHBondContact O-CG 3.33Å; K28-K32 PolarHBondContact O-N 3.3Å
29W92.1Very high90.8Very high39 Ų3967.4 Ų67.415%0.14834%0.343CS..Hα-helixtrans-76.1-44.9176.4173.285.6000110.6E26 E27 E31 K32 A33 I87 V91E26-W29 HydrophobicContact CB-CB 3.96Å; E26-W29 WeakPolarHBondContact O-CA 3.06Å; E26-W29 WeakPolarHBondContact O-CB 3.28Å; E26-W29 PolarHBondContact O-N 2.82Å; E27-W29 PolarHBondContact O-N 3.42Å; W29-E31 VanDerWaalsContact C-N 3.33Å; W29-E31 PolarHBondContact O-N 2.74Å; W29-K32 PolarHBondContact O-N 2.81Å; W29-A33 WeakPolarHBondContact O-CB 3.44Å; W29-A33 PolarHBondContact O-N 3.02Å; W29-I87 HydrophobicContact CH2-CB 4.48Å; W29-I87 HydrophobicContact CH2-CG2 3.87Å; W29-I87 HydrophobicContact CZ2-CB 4.48Å; W29-I87 HydrophobicContact CZ2-CG1 4.25Å; W29-I87 HydrophobicContact CZ2-CG2 3.89Å; W29-V91 HydrophobicContact CH2-CG2 4.09Å; W29-V91 HydrophobicContact CZ3-CG2 3.69Å
30A93.6Very high90.8Very high4 Ų467.8 Ų67.83%0.03333%0.326CS..Hα-helixtrans-60.5-43.217700000111.5L18 K21 E26 E27 K32 A33 V34 V91L18-A30 HydrophobicContact CD2-CB 4.31Å; K21-A30 HydrophobicContact CD-CB 3.53Å; K21-A30 HydrophobicContact CG-CB 4.39Å; E26-A30 PolarHBondContact O-N 3.46Å; E26-A30 VanDerWaalsContact O-N 3.07Å; E27-A30 PolarHBondContact O-N 3.28Å; E27-A30 VanDerWaalsContact O-N 3.16Å; A30-K32 PolarHBondContact O-N 3.26Å; A30-A33 WeakPolarHBondContact O-CB 3.38Å; A30-A33 PolarHBondContact O-N 3.47Å; A30-V34 WeakPolarHBondContact O-CG2 3.43Å; A30-V34 PolarHBondContact O-N 3.43Å; A30-V91 HydrophobicContact CB-CG2 4.35Å
31E94.1Very high90.8Very high56 Ų5664.5 Ų64.526%0.26231%0.314SS..Hα-helixtrans-57-47.3175.1-173.2-173.2160.700111.8T10 L18 E27 W29 A33 V34 D35T10-E31 HydrophobicContact CG2-CG 3.76Å; T10-E31 WeakPolarHBondContact CG2-OE1 3.4Å; L18-E31 HydrophobicContact CD1-CB 4.19Å; L18-E31 HydrophobicContact CD1-CG 4.07Å; E27-E31 PolarHBondContact O-N 3.14Å; W29-E31 VanDerWaalsContact C-N 3.33Å; W29-E31 PolarHBondContact O-N 2.74Å; E31-A33 PolarHBondContact O-N 2.76Å; E31-V34 PolarHBondContact O-N 2.94Å; E31-D35 WeakPolarHBondContact O-CB 3.47Å; E31-D35 PolarHBondContact O-N 2.87Å
32K94Very high90.8Very high103 Ų10369.4 Ų69.445%0.44834%0.335SS..Hα-helixtrans-65.6-36.5176.5-72.9178.1178.81780112.8K28 W29 A30 A36 V77 S78K28-K32 VanDerWaalsContact O-CG 3.31Å; K28-K32 WeakPolarHBondContact O-CG 3.33Å; K28-K32 PolarHBondContact O-N 3.3Å; W29-K32 PolarHBondContact O-N 2.81Å; A30-K32 PolarHBondContact O-N 3.26Å; K32-A36 WeakPolarHBondContact O-CB 3.11Å; K32-A36 PolarHBondContact O-N 2.67Å; K32-V77 HydrophobicContact CB-CG1 3.95Å; K32-S78 PolarHBondContact NZ-OG 3.16Å
33A95.1Very high90.7Very high0 Ų073.8 Ų73.80%035%0.352CS..Hα-helixtrans-64.6-48.4177.200000110.8W29 A30 E31 A36 L37 V77 I87 Y88 V91W29-A33 WeakPolarHBondContact O-CB 3.44Å; W29-A33 PolarHBondContact O-N 3.02Å; A30-A33 WeakPolarHBondContact O-CB 3.38Å; A30-A33 PolarHBondContact O-N 3.47Å; E31-A33 PolarHBondContact O-N 2.76Å; A33-A36 PolarHBondContact O-N 2.91Å; A33-L37 PolarHBondContact O-N 3.03Å; A33-V77 HydrophobicContact CB-CG1 3.86Å; A33-V77 HydrophobicContact CB-CG2 4.2Å; A33-I87 HydrophobicContact CB-CG2 3.93Å; A33-Y88 PolarHBondContact O-OH 3.34Å; A33-V91 HydrophobicContact CB-CG2 4.4Å
34V96.1Very high91Very high0 Ų075.8 Ų75.80%035%0.35CS..Hα-helixtrans-67.2-40.2179.2176.40000111V14 L17 L18 A30 E31 A36 L37 V38 V91 W92V14-V34 HydrophobicContact CB-CG1 4.35Å; V14-V34 HydrophobicContact CG1-CB 4.4Å; V14-V34 HydrophobicContact CG1-CG1 4.02Å; V14-V34 HydrophobicContact CG2-CG1 4.37Å; L17-V34 HydrophobicContact CB-CG1 3.57Å; L17-V34 HydrophobicContact CD1-CG1 3.95Å; L17-V34 HydrophobicContact CG-CG1 4.44Å; L18-V34 HydrophobicContact CD2-CB 4.2Å; L18-V34 HydrophobicContact CD2-CG2 3.8Å; L18-V34 HydrophobicContact CG-CB 4.41Å; L18-V34 HydrophobicContact CG-CG1 4.42Å; L18-V34 HydrophobicContact CG-CG2 4.37Å; A30-V34 WeakPolarHBondContact O-CG2 3.43Å; A30-V34 PolarHBondContact O-N 3.43Å; E31-V34 PolarHBondContact O-N 2.94Å; V34-A36 PolarHBondContact O-N 3.18Å; V34-L37 WeakPolarHBondContact O-CB 3.46Å; V34-L37 PolarHBondContact O-N 3.27Å; V34-L37 VanDerWaalsContact O-N 3.17Å; V34-V38 HydrophobicContact CG1-CG2 4.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.44Å; V34-V38 PolarHBondContact O-N 3.26Å; V34-V91 HydrophobicContact CG2-CG1 4.09Å; V34-W92 HydrophobicContact CG2-CZ2 4.12Å
35D94.5Very high91.6Very high53 Ų5378.9 Ų78.928%0.28336%0.357SS..Hα-helixtrans-59.5-44.8173.8179.870.1000112.3V14 E31 L37 V38 K39V14-D35 HydrophobicContact CG2-CB 4.15Å; E31-D35 WeakPolarHBondContact O-CB 3.47Å; E31-D35 PolarHBondContact O-N 2.87Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.35Å; D35-V38 PolarHBondContact O-N 3.36Å; D35-K39 WeakPolarHBondContact O-CG 3.4Å; D35-K39 PolarHBondContact O-N 3.35Å; D35-K39 IonicContact OD1-NZ 2.93Å; D35-K39 VanDerWaalsContact OD2-CE 3.3Å; D35-K39 WeakPolarHBondContact OD2-CE 3.13Å; D35-K39 IonicContact OD2-NZ 3.32Å; D35-K39 PolarHBondContact OD2-NZ 3.42Å
36A93.1Very high92.6Very high24 Ų2471.8 Ų71.820%0.19833%0.331CS..Hα-helixtrans-62.7-35.9175.500000112.4K32 A33 V34K32-A36 WeakPolarHBondContact O-CB 3.11Å; K32-A36 PolarHBondContact O-N 2.67Å; A33-A36 PolarHBondContact O-N 2.91Å; V34-A36 PolarHBondContact O-N 3.18Å
37L96Very high93.2Very high0 Ų068.4 Ų68.40%032%0.316CS..Hα-helixtrans-67-50.7175.4-17558.7000112.3A33 V34 D35 K39 K40 L41 L51 I67 Y88 W92 I122A33-L37 PolarHBondContact O-N 3.03Å; V34-L37 WeakPolarHBondContact O-CB 3.46Å; V34-L37 PolarHBondContact O-N 3.27Å; V34-L37 VanDerWaalsContact O-N 3.17Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.35Å; L37-K39 PolarHBondContact O-N 2.96Å; L37-K40 CarbonylContact O-C 3.6Å; L37-K40 WeakPolarHBondContact O-CA 3.23Å; L37-K40 WeakPolarHBondContact O-CB 3.4Å; L37-K40 PolarHBondContact O-N 3.32Å; L37-L41 HydrophobicContact CD1-CD1 3.98Å; L37-L41 HydrophobicContact CD1-CD2 4.11Å; L37-L41 HydrophobicContact CD1-CG 3.81Å; L37-L41 HydrophobicContact CD2-CD1 3.92Å; L37-L41 HydrophobicContact CG-CD1 3.66Å; L37-L41 HydrophobicContact CG-CG 3.88Å; L37-L41 PolarHBondContact O-N 3.48Å; L37-L51 HydrophobicContact CD2-CD2 3.78Å; L37-I67 HydrophobicContact CD1-CG2 3.71Å; L37-Y88 HydrophobicContact CB-CE1 3.65Å; L37-Y88 VanDerWaalsContact CB-OH 3.29Å; L37-Y88 WeakPolarHBondContact CB-OH 3.4Å; L37-Y88 HydrophobicContact CD1-CE1 4.27Å; L37-Y88 HydrophobicContact CD1-CE2 3.86Å; L37-Y88 HydrophobicContact CD2-CD1 3.88Å; L37-Y88 HydrophobicContact CD2-CE1 3.63Å; L37-Y88 HydrophobicContact CD2-CE2 4.44Å; L37-Y88 HydrophobicContact CD2-CG 4.41Å; L37-Y88 HydrophobicContact CG-CE1 4.03Å; L37-W92 HydrophobicContact CD2-CH2 3.42Å; L37-W92 VanDerWaalsContact CD2-CH2 3.42Å; L37-W92 HydrophobicContact CD2-CZ2 4.35Å; L37-W92 HydrophobicContact CD2-CZ3 4.18Å; L37-I122 HydrophobicContact CD1-CD1 4.13Å; L37-I122 HydrophobicContact CD1-CG1 4.07Å; L37-I122 HydrophobicContact CD2-CD1 4.01Å
38V95.3Very high93.6Very high2 Ų263.3 Ų63.31%0.01229%0.292CS..Hα-helixtrans-57.1-38.9-176.4168.50000110.5A13 V14 L17 V34 D35 K40 L41 K42 M48A13-V38 HydrophobicContact CB-CG1 4.04Å; A13-V38 HydrophobicContact CB-CG2 4.42Å; V14-V38 HydrophobicContact CG2-CB 4.13Å; V14-V38 HydrophobicContact CG2-CG1 4.48Å; V14-V38 HydrophobicContact CG2-CG2 3.82Å; L17-V38 HydrophobicContact CD1-CG2 3.64Å; V34-V38 HydrophobicContact CG1-CG2 4.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.44Å; V34-V38 PolarHBondContact O-N 3.26Å; D35-V38 PolarHBondContact O-N 3.36Å; V38-K40 VanDerWaalsContact C-N 3.26Å; V38-K40 PolarHBondContact O-N 3.36Å; V38-L41 PolarHBondContact O-N 3.38Å; V38-K42 HydrophobicContact CG1-CD 4.21Å; V38-K42 HydrophobicContact CG1-CG 4.41Å; V38-K42 WeakPolarHBondContact O-CB 3.43Å; V38-K42 VanDerWaalsContact O-CG 3.28Å; V38-K42 WeakPolarHBondContact O-CG 3.35Å; V38-K42 PolarHBondContact O-N 3.08Å; V38-M48 HydrophobicContact CG1-SD 4.43Å; V38-M48 HydrophobicContact CG2-CE 4.12Å; V38-M48 HydrophobicContact CG2-SD 4.13Å
39K92.9Very high93.9Very high127 Ų12761.2 Ų61.255%0.55229%0.285SS*.Hα-helixtrans-60.6-31.5174-72.9168.3177.8162.30113.5D35 L37D35-K39 WeakPolarHBondContact O-CG 3.4Å; D35-K39 PolarHBondContact O-N 3.35Å; D35-K39 IonicContact OD1-NZ 2.93Å; D35-K39 VanDerWaalsContact OD2-CE 3.3Å; D35-K39 WeakPolarHBondContact OD2-CE 3.13Å; D35-K39 IonicContact OD2-NZ 3.32Å; D35-K39 PolarHBondContact OD2-NZ 3.42Å; L37-K39 PolarHBondContact O-N 2.96Å
40K93.6Very high94Very high74 Ų7462.3 Ų62.332%0.32229%0.292SS..Hα-helixtrans-81.7-45.5176.8-67.6174-178.1-75.40111.5L37 V38 K42 K43 I67L37-K40 CarbonylContact O-C 3.6Å; L37-K40 WeakPolarHBondContact O-CA 3.23Å; L37-K40 WeakPolarHBondContact O-CB 3.4Å; L37-K40 PolarHBondContact O-N 3.32Å; V38-K40 VanDerWaalsContact C-N 3.26Å; V38-K40 PolarHBondContact O-N 3.36Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3.2Å; K40-K43 WeakPolarHBondContact O-CB 3.43Å; K40-K43 PolarHBondContact O-N 3.47Å; K40-K43 VanDerWaalsContact O-N 3.11Å; K40-I67 HydrophobicContact CB-CG2 4.16Å; K40-I67 HydrophobicContact CD-CB 4.36Å; K40-I67 HydrophobicContact CD-CD1 4.2Å; K40-I67 HydrophobicContact CD-CG2 4.28Å
41L95.3Very high94.2Very high1 Ų162.1 Ų62.11%0.00529%0.29CS..Hα-helixtrans-65.9-31.8-178.7-63.4-177000112.5L37 V38 K43 K44 A47 M48 L51 V65 I67L37-L41 HydrophobicContact CD1-CD1 3.98Å; L37-L41 HydrophobicContact CD1-CD2 4.11Å; L37-L41 HydrophobicContact CD1-CG 3.81Å; L37-L41 HydrophobicContact CD2-CD1 3.92Å; L37-L41 HydrophobicContact CG-CD1 3.66Å; L37-L41 HydrophobicContact CG-CG 3.88Å; L37-L41 PolarHBondContact O-N 3.48Å; V38-L41 PolarHBondContact O-N 3.38Å; L41-K43 PolarHBondContact O-N 3.34Å; L41-K44 PolarHBondContact O-N 3.34Å; L41-A47 HydrophobicContact CB-CB 4.48Å; L41-A47 HydrophobicContact CD2-CB 4.02Å; L41-M48 HydrophobicContact CB-CG 3.82Å; L41-M48 HydrophobicContact CB-SD 3.6Å; L41-M48 HydrophobicContact CD1-SD 3.7Å; L41-M48 HydrophobicContact CG-SD 4.28Å; L41-L51 HydrophobicContact CD1-CB 4.5Å; L41-L51 HydrophobicContact CD1-CD2 3.58Å; L41-V65 HydrophobicContact CD1-CG1 4.3Å; L41-V65 HydrophobicContact CD2-CG1 3.77Å; L41-I67 HydrophobicContact CD2-CG2 4.1Å
42K92.8Very high94.2Very high146 Ų14661.2 Ų61.264%0.63529%0.286SS*.THydrogen-bonded Turntrans-56.7-18.8172.3-80.2177.4177.1-177.10114.5V38 K40V38-K42 HydrophobicContact CG1-CD 4.21Å; V38-K42 HydrophobicContact CG1-CG 4.41Å; V38-K42 WeakPolarHBondContact O-CB 3.43Å; V38-K42 VanDerWaalsContact O-CG 3.28Å; V38-K42 WeakPolarHBondContact O-CG 3.35Å; V38-K42 PolarHBondContact O-N 3.08Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3.2Å
43K92.3Very high94.3Very high187 Ų18762.6 Ų62.681%0.81329%0.292SS*.THydrogen-bonded Turntrans-84.7-13.3176.8-57.7-175.1179.6-172.40113.3K40 L41K40-K43 WeakPolarHBondContact O-CB 3.43Å; K40-K43 PolarHBondContact O-N 3.47Å; K40-K43 VanDerWaalsContact O-N 3.11Å; L41-K43 PolarHBondContact O-N 3.34Å
44K91.7Very high94.3Very high81 Ų8162.7 Ų62.735%0.35229%0.293SS..SBendtrans-118.3107.9-179.2-172.3170.9-179.8165.90109.1L41 G46 A47 T66 E119L41-K44 PolarHBondContact O-N 3.34Å; K44-G46 PolarHBondContact O-N 2.99Å; K44-A47 HydrophobicContact CB-CB 3.92Å; K44-A47 HydrophobicContact CD-CB 4.21Å; K44-A47 HydrophobicContact CG-CB 3.99Å; K44-A47 WeakPolarHBondContact O-CB 3.19Å; K44-A47 PolarHBondContact O-N 3.32Å; K44-T66 PolarHBondContact NZ-OG1 3.25Å; K44-E119 IonicContact NZ-OE1 2.75Å; K44-E119 PolarHBondContact NZ-OE1 2.94Å; K44-E119 IonicContact NZ-OE2 2.7Å
45K91.8Very high94.4Very high216 Ų21662.8 Ų62.894%0.93929%0.293SS*.THydrogen-bonded Turntrans-56.6128.8-178.8-172.4-179.8179.7-176.80110.2A47K45-A47 VanDerWaalsContact C-N 3.33Å; K45-A47 PolarHBondContact O-N 3.34Å
46G93.2Very high94.4Very high29 Ų2963.3 Ų63.330%0.29930%0.301SS..THydrogen-bonded Turntrans87.9-16.3178.800000115.6K44 M48 E49 E50K44-G46 PolarHBondContact O-N 2.99Å; G46-M48 VanDerWaalsContact C-N 3.31Å; G46-M48 PolarHBondContact O-N 3.44Å; G46-E49 WeakPolarHBondContact CA-OE2 3.44Å; G46-E49 PolarHBondContact O-N 3.03Å; G46-E50 WeakPolarHBondContact O-CG 3.34Å; G46-E50 PolarHBondContact O-N 3.27Å
47A94.9Very high94.4Very high1 Ų164.2 Ų64.21%0.00831%0.305CS..Hα-helixtrans-69.9-27.5-172.200000113.5L41 K44 K45 L51L41-A47 HydrophobicContact CB-CB 4.48Å; L41-A47 HydrophobicContact CD2-CB 4.02Å; K44-A47 HydrophobicContact CB-CB 3.92Å; K44-A47 HydrophobicContact CD-CB 4.21Å; K44-A47 HydrophobicContact CG-CB 3.99Å; K44-A47 WeakPolarHBondContact O-CB 3.19Å; K44-A47 PolarHBondContact O-N 3.32Å; K45-A47 VanDerWaalsContact C-N 3.33Å; K45-A47 PolarHBondContact O-N 3.34Å; A47-L51 WeakPolarHBondContact O-CB 3.17Å; A47-L51 PolarHBondContact O-N 3.2Å
48M94.3Very high94.2Very high19 Ų1968.1 Ų68.19%0.09433%0.33CS..Hα-helixtrans-69.5-46174.1-78.5-67.9-53.800110.7A13 L17 V38 L41 G46 L51 E52A13-M48 HydrophobicContact CB-CE 3.85Å; L17-M48 HydrophobicContact CD1-CE 3.81Å; L17-M48 HydrophobicContact CD1-SD 4.36Å; L17-M48 HydrophobicContact CG-CE 4.31Å; V38-M48 HydrophobicContact CG1-SD 4.43Å; V38-M48 HydrophobicContact CG2-CE 4.12Å; V38-M48 HydrophobicContact CG2-SD 4.13Å; L41-M48 HydrophobicContact CB-CG 3.82Å; L41-M48 HydrophobicContact CB-SD 3.6Å; L41-M48 HydrophobicContact CD1-SD 3.7Å; L41-M48 HydrophobicContact CG-SD 4.28Å; G46-M48 VanDerWaalsContact C-N 3.31Å; G46-M48 PolarHBondContact O-N 3.44Å; M48-L51 PolarHBondContact O-N 2.98Å; M48-E52 WeakPolarHBondContact O-CG 3.09Å; M48-E52 PolarHBondContact O-N 3.5Å
49E94.5Very high93.5Very high124 Ų12471.2 Ų71.258%0.57936%0.363SS*.Hα-helixtrans-65.8-39.6180-63.176.8-171.700111.2G46 E52 K53G46-E49 WeakPolarHBondContact CA-OE2 3.44Å; G46-E49 PolarHBondContact O-N 3.03Å; E49-E52 PolarHBondContact O-N 2.7Å; E49-K53 WeakPolarHBondContact O-CB 3.46Å; E49-K53 PolarHBondContact O-N 2.76Å
50E95.3Very high93.5Very high62 Ų6271 Ų7129%0.2936%0.364SS..Hα-helixtrans-63.1-40.1173.6-74-177.3151.100112.3G46 K53 A54 N63 V65G46-E50 WeakPolarHBondContact O-CG 3.34Å; G46-E50 PolarHBondContact O-N 3.27Å; E50-K53 PolarHBondContact O-N 3.04Å; E50-A54 WeakPolarHBondContact O-CB 3.38Å; E50-A54 PolarHBondContact O-N 3.04Å; E50-N63 PolarHBondContact OE1-ND2 3.4Å; E50-V65 HydrophobicContact CB-CG2 4Å
51L96.8Very high93.5Very high0 Ų073.7 Ų73.70%039%0.389CS..Hα-helixtrans-66.4-46175.6-177.960.7000111.8L17 L37 L41 A47 M48 K53 A54 L55 V65 W92 I122L17-L51 HydrophobicContact CD1-CD2 4.04Å; L17-L51 HydrophobicContact CD2-CD2 3.88Å; L17-L51 HydrophobicContact CD2-CG 4.08Å; L37-L51 HydrophobicContact CD2-CD2 3.78Å; L41-L51 HydrophobicContact CD1-CB 4.5Å; L41-L51 HydrophobicContact CD1-CD2 3.58Å; A47-L51 WeakPolarHBondContact O-CB 3.17Å; A47-L51 PolarHBondContact O-N 3.2Å; M48-L51 PolarHBondContact O-N 2.98Å; L51-K53 VanDerWaalsContact C-N 3.29Å; L51-K53 PolarHBondContact O-N 2.85Å; L51-A54 PolarHBondContact O-N 3.22Å; L51-L55 HydrophobicContact CD1-CD1 4.18Å; L51-L55 HydrophobicContact CD1-CG 4.19Å; L51-L55 HydrophobicContact CG-CD1 4.06Å; L51-L55 HydrophobicContact CG-CG 4.44Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 3.46Å; L51-V65 HydrophobicContact CB-CG1 4.1Å; L51-V65 HydrophobicContact CB-CG2 3.99Å; L51-V65 HydrophobicContact CD1-CG2 4.38Å; L51-W92 HydrophobicContact CD1-CH2 4.28Å; L51-W92 HydrophobicContact CD1-CZ3 4.08Å; L51-W92 HydrophobicContact CD2-CH2 3.74Å; L51-W92 HydrophobicContact CD2-CZ2 4.37Å; L51-W92 HydrophobicContact CD2-CZ3 4.32Å; L51-W92 HydrophobicContact CG-CH2 4.48Å; L51-I122 HydrophobicContact CD1-CD1 4.02Å; L51-I122 HydrophobicContact CD2-CD1 4.23Å
52E95.9Very high93.5Very high36 Ų3674.9 Ų74.917%0.16840%0.398CS..Hα-helixtrans-61-39.3176.4-72.5179.1-163.600111.4R16 L17 W20 M48 E49 L55 S56R16-E52 VanDerWaalsContact CD-CD 3.44Å; R16-E52 WeakPolarHBondContact CD-OE1 3.26Å; R16-E52 VanDerWaalsContact CD-OE2 3.28Å; R16-E52 WeakPolarHBondContact CD-OE2 3.41Å; R16-E52 IonicContact CZ-OE1 3.3Å; R16-E52 IonicContact CZ-OE2 2.67Å; R16-E52 IonicContact NE-OE1 2.73Å; R16-E52 IonicContact NE-OE2 3.87Å; R16-E52 VanDerWaalsContact NH1-CD 3.35Å; R16-E52 IonicContact NH1-OE1 2.92Å; R16-E52 PolarHBondContact NH1-OE1 3.12Å; R16-E52 IonicContact NH1-OE2 3.9Å; R16-E52 PolarHBondContact NH1-OE2 2.98Å; R16-E52 VanDerWaalsContact NH1-OE2 3.14Å; L17-E52 HydrophobicContact CD2-CG 4.01Å; W20-E52 HydrophobicContact CH2-CB 4.36Å; W20-E52 HydrophobicContact CH2-CG 4.2Å; W20-E52 HydrophobicContact CZ3-CG 4.32Å; M48-E52 WeakPolarHBondContact O-CG 3.09Å; M48-E52 PolarHBondContact O-N 3.5Å; E49-E52 PolarHBondContact O-N 2.7Å; E52-L55 PolarHBondContact O-N 2.79Å; E52-S56 VanDerWaalsContact O-CB 3.3Å; E52-S56 WeakPolarHBondContact O-CB 3.45Å; E52-S56 PolarHBondContact O-N 3.42Å; E52-S56 PolarHBondContact O-OG 3.31Å
53K95Very high93.6Very high133 Ų13373 Ų7358%0.57839%0.394SS*.Hα-helixtrans-62.5-46.2173-174.8-178.8178.2-176.10111.6E49 E50 L51 L55 S56 C57E49-K53 WeakPolarHBondContact O-CB 3.46Å; E49-K53 PolarHBondContact O-N 2.76Å; E50-K53 PolarHBondContact O-N 3.04Å; L51-K53 VanDerWaalsContact C-N 3.29Å; L51-K53 PolarHBondContact O-N 2.85Å; K53-L55 PolarHBondContact O-N 3.49Å; K53-S56 WeakPolarHBondContact CA-OG 3.47Å; K53-S56 PolarHBondContact O-N 2.96Å; K53-S56 PolarHBondContact O-OG 3.35Å; K53-S56 VanDerWaalsContact O-OG 3.13Å; K53-C57 PolarHBondContact O-N 3.48Å
54A96.1Very high93.8Very high2 Ų264.9 Ų64.92%0.01736%0.361CS..Hα-helixtrans-63-41.917900000111.8E50 L51 C57 Y125E50-A54 WeakPolarHBondContact O-CB 3.38Å; E50-A54 PolarHBondContact O-N 3.04Å; L51-A54 PolarHBondContact O-N 3.22Å; A54-C57 CarbonylContact O-C 3.59Å; A54-Y125 HydrophobicContact CB-CD2 4.42Å; A54-Y125 VanDerWaalsContact O-CD2 3.28Å; A54-Y125 WeakPolarHBondContact O-CD2 3.45Å; A54-Y125 WeakPolarHBondContact O-CE2 3.43Å
55L96.7Very high94.1Very high2 Ų261 Ų611%0.0134%0.344CS..Hα-helixtrans-70.3-35.3178.5-66.3176.6000113.5L17 W20 L51 E52 K53 W92 P124 Y125L17-L55 HydrophobicContact CD2-CD1 3.75Å; W20-L55 HydrophobicContact CB-CB 4.33Å; W20-L55 HydrophobicContact CB-CD1 4.35Å; W20-L55 HydrophobicContact CD2-CB 3.7Å; W20-L55 HydrophobicContact CD2-CD1 4.16Å; W20-L55 HydrophobicContact CE3-CB 4.1Å; W20-L55 HydrophobicContact CE3-CD1 3.81Å; W20-L55 HydrophobicContact CG-CB 3.8Å; W20-L55 HydrophobicContact CG-CD1 4.4Å; W20-L55 HydrophobicContact CZ3-CD1 4.44Å; W20-L55 PolarHBondContact NE1-O 3.21Å; L51-L55 HydrophobicContact CD1-CD1 4.18Å; L51-L55 HydrophobicContact CD1-CG 4.19Å; L51-L55 HydrophobicContact CG-CD1 4.06Å; L51-L55 HydrophobicContact CG-CG 4.44Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 3.46Å; E52-L55 PolarHBondContact O-N 2.79Å; K53-L55 PolarHBondContact O-N 3.49Å; L55-W92 HydrophobicContact CD1-CD2 4.05Å; L55-W92 HydrophobicContact CD1-CG 4.3Å; L55-W92 HydrophobicContact CD1-CZ2 4.11Å; L55-W92 HydrophobicContact CD2-CB 3.8Å; L55-W92 HydrophobicContact CD2-CD2 3.85Å; L55-W92 HydrophobicContact CD2-CE3 4.2Å; L55-W92 HydrophobicContact CD2-CG 3.66Å; L55-P124 HydrophobicContact CD2-CG 3.8Å; L55-Y125 HydrophobicContact CD2-CE2 4.19Å
56S95.7Very high94.3Very high64 Ų6450.9 Ų50.945%0.44830%0.301SS..Hα-helixtrans-79-19.3178.255.30000114.3E52 K53 P58E52-S56 VanDerWaalsContact O-CB 3.3Å; E52-S56 WeakPolarHBondContact O-CB 3.45Å; E52-S56 PolarHBondContact O-N 3.42Å; E52-S56 PolarHBondContact O-OG 3.31Å; K53-S56 WeakPolarHBondContact CA-OG 3.47Å; K53-S56 PolarHBondContact O-N 2.96Å; K53-S56 PolarHBondContact O-OG 3.35Å; K53-S56 VanDerWaalsContact O-OG 3.13Å; S56-P58 VanDerWaalsContact C-CD 3.49Å; S56-P58 WeakPolarHBondContact O-CD 3.4Å
57C93.6Very high94.5Very high43 Ų4349.7 Ų49.729%0.29129%0.287SS..SBendtrans-123.870.5177.8-60.60000112.1K53 A54 G59 Q60K53-C57 PolarHBondContact O-N 3.48Å; A54-C57 CarbonylContact O-C 3.59Å; C57-G59 PolarHBondContact O-N 3.35Å; C57-Q60 HydrophobicContact CB-CB 4.15Å; C57-Q60 HydrophobicContact CB-CG 4.14Å; C57-Q60 PolarHBondContact O-N 3.4Å
58P90.3Very high94.5Very high81 Ų8153.8 Ų53.853%0.52631%0.314SS..THydrogen-bonded Turntrans-53.4131.4-179.7-24.133.1000112.5S56 Q60 Y125S56-P58 VanDerWaalsContact C-CD 3.49Å; S56-P58 WeakPolarHBondContact O-CD 3.4Å; P58-Q60 PolarHBondContact O-N 2.91Å; P58-Y125 HydrophobicContact CB-CE1 3.68Å; P58-Y125 WeakPolarHBondContact CB-OH 3.36Å; P58-Y125 WeakPolarHBondContact CG-OH 3.3Å
59G82.1Confident94.5Very high68 Ų6856 Ų5670%0.70132%0.321SS*.THydrogen-bonded Turntrans78.7-6.3175.900000115.8C57C57-G59 PolarHBondContact O-N 3.35Å
60Q92.1Very high94.4Very high121 Ų12152.2 Ų52.257%0.56531%0.309SS*.SBendtrans-79.2147.9172.1-65.4-168.84.900111.5C57 P58 S62C57-Q60 HydrophobicContact CB-CB 4.15Å; C57-Q60 HydrophobicContact CB-CG 4.14Å; C57-Q60 PolarHBondContact O-N 3.4Å; P58-Q60 PolarHBondContact O-N 2.91Å; Q60-S62 PolarHBondContact O-N 2.99Å
61P93Very high94.1Very high131 Ų13158.6 Ų58.685%0.85134%0.344SS*.  trans-52.7128.3172.1-26.334.8000111.6
62S94.7Very high93.7Very high27 Ų2762.1 Ų62.119%0.18936%0.362CS..  trans-142.3157.3-179.5500000110.7Q60 N123 H126Q60-S62 PolarHBondContact O-N 2.99Å; S62-N123 PolarHBondContact OG-ND2 3.24Å; S62-H126 PolarHBondContact O-CE1 3.29Å; S62-H126 VanDerWaalsContact O-CE1 3.3Å; S62-H126 PolarHBondContact O-NE2 3.46Å
63N95.6Very high93.4Very high105 Ų10560.6 Ų60.656%0.56136%0.357SS*.PPolyproline II helixtrans-72161.2177.5-66.4-17.8000111.7E50 V65 N123 H126E50-N63 PolarHBondContact OE1-ND2 3.4Å; N63-V65 PolarHBondContact O-N 3.32Å; N63-N123 PolarHBondContact O-ND2 3.39Å; N63-N123 VanDerWaalsContact O-ND2 3.08Å; N63-H126 PolarHBondContact O-CE1 2.95Å; N63-H126 VanDerWaalsContact O-CE1 3.32Å
64C96.9Very high93.3Very high17 Ų1759.8 Ų59.812%0.11535%0.35CS..PPolyproline II helixtrans-68.8121.5172.2-71.50000109.9T66 E110 F111 H126C64-T66 HydrophobicContact CB-CG2 4.06Å; C64-E110 PolarHBondContact SG-N 2.79Å; C64-F111 HydrophobicContact CB-CD2 3.77Å; C64-F111 HydrophobicContact CB-CE2 4.41Å; C64-H126 VanDerWaalsContact CA-CE1 3.47Å; C64-H126 WeakPolarHBondContact CA-CE1 3.44Å; C64-H126 PolarHBondContact N-CE1 3.07Å; C64-H126 PolarHBondContact SG-CE1 3.08Å; C64-H126 PolarHBondContact SG-ND1 3.25Å; C64-H126 VanDerWaalsContact SG-ND1 3.38Å
65V97.2Very high93.1Very high0 Ų060.5 Ų60.50%035%0.354CS..PPolyproline II helixtrans-92.1117.3167.3-177.60000107.5L41 E50 L51 N63 C121 I122 N123L41-V65 HydrophobicContact CD1-CG1 4.3Å; L41-V65 HydrophobicContact CD2-CG1 3.77Å; E50-V65 HydrophobicContact CB-CG2 4Å; L51-V65 HydrophobicContact CB-CG1 4.1Å; L51-V65 HydrophobicContact CB-CG2 3.99Å; L51-V65 HydrophobicContact CD1-CG2 4.38Å; N63-V65 PolarHBondContact O-N 3.32Å; V65-C121 CarbonylContact O-C 3.59Å; V65-C121 WeakPolarHBondContact O-CA 3.45Å; V65-I122 HydrophobicContact CB-CD1 3.95Å; V65-I122 HydrophobicContact CB-CG1 4.47Å; V65-I122 HydrophobicContact CG1-CD1 3.51Å; V65-I122 HydrophobicContact CG1-CG1 4.1Å; V65-I122 WeakPolarHBondContact O-CG1 3.31Å; V65-I122 PolarHBondContact O-N 2.97Å; V65-N123 HydrophobicContact CB-CB 4.29Å; V65-N123 HydrophobicContact CG2-CB 4.33Å
66T97.1Very high92.9Very high4 Ų465.9 Ų65.93%0.02538%0.379CS..EExtended strand (participates in β ladder)trans-118.7154.6-171.263.80000114.1K44 C64 F111 E119 V120K44-T66 PolarHBondContact NZ-OG1 3.25Å; C64-T66 HydrophobicContact CB-CG2 4.06Å; T66-F111 HydrophobicContact CG2-CB 3.82Å; T66-F111 HydrophobicContact CG2-CD1 4.49Å; T66-F111 HydrophobicContact CG2-CD2 3.71Å; T66-F111 HydrophobicContact CG2-CE2 4.45Å; T66-F111 HydrophobicContact CG2-CG 3.74Å; T66-E119 WeakPolarHBondContact CB-OE1 3.26Å; T66-E119 HydrophobicContact CG2-CB 4.38Å; T66-E119 VanDerWaalsContact OG1-CD 3.32Å; T66-E119 PolarHBondContact OG1-OE1 3.32Å; T66-V120 CarbonylContact C-O 3.56Å; T66-V120 VanDerWaalsContact CA-O 3.24Å; T66-V120 WeakPolarHBondContact CA-O 3.48Å
67I96.1Very high92.6Very high3 Ų363 Ų632%0.01536%0.358CS..EExtended strand (participates in β ladder)trans-127.1155.3166.364.5170.1000111L37 K40 L41 R69 P84 E119 V120 I122L37-I67 HydrophobicContact CD1-CG2 3.71Å; K40-I67 HydrophobicContact CB-CG2 4.16Å; K40-I67 HydrophobicContact CD-CB 4.36Å; K40-I67 HydrophobicContact CD-CD1 4.2Å; K40-I67 HydrophobicContact CD-CG2 4.28Å; L41-I67 HydrophobicContact CD2-CG2 4.1Å; I67-R69 PolarHBondContact O-N 3.36Å; I67-P84 HydrophobicContact CD1-CB 3.72Å; I67-P84 HydrophobicContact CD1-CG 4.03Å; I67-P84 HydrophobicContact CG1-CB 4.45Å; I67-E119 WeakPolarHBondContact O-CA 3.44Å; I67-V120 PolarHBondContact N-O 3.46Å; I67-V120 PolarHBondContact O-N 3.39Å; I67-I122 HydrophobicContact CD1-CG2 4.12Å; I67-I122 HydrophobicContact CG1-CG2 3.98Å; I67-I122 HydrophobicContact CG2-CG1 4.36Å
68P95.2Very high92.2Very high88 Ų8863.1 Ų63.157%0.57136%0.36SS*.EExtended strand (participates in β ladder)trans-59.8134.5173-23.933.9000112.3
69R94.5Very high91.9Very high64 Ų6467.6 Ų67.624%0.24237%0.373CS..PPolyproline II helixtrans-70.8132.9174.2-173.8-179.6-72.9-96.9-1.4110.3I67 F113 Q117 K118 V120I67-R69 PolarHBondContact O-N 3.36Å; R69-F113 PolarHBondContact NH2-O 3.12Å; R69-Q117 WeakPolarHBondContact CD-O 3.26Å; R69-Q117 PolarHBondContact NE-O 2.86Å; R69-K118 WeakPolarHBondContact CB-O 3.45Å; R69-K118 PolarHBondContact N-O 3.15Å; R69-V120 HydrophobicContact CB-CG2 4.01Å; R69-V120 HydrophobicContact CG-CG2 4.18Å
70S92.7Very high92.1Very high46 Ų4670.7 Ų70.732%0.32236%0.364SS..PPolyproline II helixtrans-77.3163.6170.953.30000111.6D72 G73 R74S70-D72 PolarHBondContact O-N 2.91Å; S70-D72 PolarHBondContact OG-OD1 3.39Å; S70-G73 PolarHBondContact O-N 3.36Å; S70-G73 WeakPolarHBondContact OG-CA 3.49Å; S70-G73 PolarHBondContact OG-N 3.15Å; S70-R74 PolarHBondContact OG-N 3.44Å; S70-R74 PolarHBondContact OG-O 2.89Å
71L89.5Confident91.9Very high195 Ų19570.7 Ų70.7100%1.02136%0.362SS*.THydrogen-bonded Turntrans-54.7-37.5179.9-66.6174.3000113.3
72D88Confident91.8Very high74 Ų7465.5 Ų65.540%0.39633%0.332SS..THydrogen-bonded Turntrans-100.17.5177.375.1-18.2000113.3S70 R74S70-D72 PolarHBondContact O-N 2.91Å; S70-D72 PolarHBondContact OG-OD1 3.39Å; D72-R74 PolarHBondContact O-N 3.5Å; D72-R74 VanDerWaalsContact O-N 3.11Å; D72-R74 PolarHBondContact OD1-N 3.02Å; D72-R74 VanDerWaalsContact OD1-N 3.09Å; D72-R74 IonicContact OD2-CZ 3.79Å; D72-R74 VanDerWaalsContact OD2-CZ 3.26Å; D72-R74 IonicContact OD2-NE 3.86Å; D72-R74 PolarHBondContact OD2-NE 3.15Å; D72-R74 IonicContact OD2-NH2 2.8Å; D72-R74 PolarHBondContact OD2-NH2 2.92Å
73G90.2Very high91.8Very high5 Ų565.8 Ų65.85%0.05233%0.332CS..SBendtrans69.3-1.9-178.300000116S70 P84S70-G73 PolarHBondContact O-N 3.36Å; S70-G73 WeakPolarHBondContact OG-CA 3.49Å; S70-G73 PolarHBondContact OG-N 3.15Å; G73-P84 VanDerWaalsContact O-CD 3.29Å; G73-P84 WeakPolarHBondContact O-CD 3.24Å
74R91.8Very high91.8Very high115 Ų11561.1 Ų61.143%0.43431%0.307SS..PPolyproline II helixtrans-101.7147.2-177-64.5178.5-61.3-165.9-5.3112.6S70 D72 K81 G82 L83S70-R74 PolarHBondContact OG-N 3.44Å; S70-R74 PolarHBondContact OG-O 2.89Å; D72-R74 PolarHBondContact O-N 3.5Å; D72-R74 VanDerWaalsContact O-N 3.11Å; D72-R74 PolarHBondContact OD1-N 3.02Å; D72-R74 VanDerWaalsContact OD1-N 3.09Å; D72-R74 IonicContact OD2-CZ 3.79Å; D72-R74 VanDerWaalsContact OD2-CZ 3.26Å; D72-R74 IonicContact OD2-NE 3.86Å; D72-R74 PolarHBondContact OD2-NE 3.15Å; D72-R74 IonicContact OD2-NH2 2.8Å; D72-R74 PolarHBondContact OD2-NH2 2.92Å; R74-K81 HydrophobicContact CB-CB 4.43Å; R74-G82 CarbonylContact C-O 3.46Å; R74-G82 WeakPolarHBondContact CA-O 3.32Å; R74-L83 HydrophobicContact CG-CD2 3.91Å
75L93Very high91.8Very high18 Ų1860.7 Ų60.79%0.09430%0.303CS..EExtended strand (participates in β ladder)trans-102.4130.6170.2-179.464.6000109.6V77 K81 G82 P84 I87 Y88L75-V77 HydrophobicContact CD2-CG2 4.12Å; L75-V77 HydrophobicContact CG-CG2 4.14Å; L75-K81 WeakPolarHBondContact O-CA 3.22Å; L75-G82 PolarHBondContact N-O 2.87Å; L75-G82 PolarHBondContact O-N 2.96Å; L75-P84 HydrophobicContact CB-CG 4.13Å; L75-I87 HydrophobicContact CB-CD1 4.03Å; L75-I87 HydrophobicContact CD2-CD1 4.24Å; L75-I87 HydrophobicContact CG-CD1 4.42Å; L75-Y88 HydrophobicContact CD2-CE2 4.11Å; L75-Y88 WeakPolarHBondContact CD2-OH 3.36Å
76Q91.9Very high91.7Very high114 Ų11461.5 Ų61.553%0.53331%0.308SS..EExtended strand (participates in β ladder)trans-87.9122.3170.8-175.9169.6-19.200109.9S78 R80 K81Q76-S78 PolarHBondContact NE2-O 2.99Å; Q76-S78 VanDerWaalsContact NE2-O 3.09Å; Q76-R80 WeakPolarHBondContact CA-O 3.46Å; Q76-K81 HydrophobicContact CB-CG 4.25Å; Q76-K81 HydrophobicContact CG-CG 4.42Å
77V90Very high91.6Very high3 Ų361.7 Ų61.72%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-119.7112.3172179.80000107.4K32 A33 L75 H79 R80 I87K32-V77 HydrophobicContact CB-CG1 3.95Å; A33-V77 HydrophobicContact CB-CG1 3.86Å; A33-V77 HydrophobicContact CB-CG2 4.2Å; L75-V77 HydrophobicContact CD2-CG2 4.12Å; L75-V77 HydrophobicContact CG-CG2 4.14Å; V77-H79 PolarHBondContact O-N 3.42Å; V77-H79 VanDerWaalsContact O-N 3.09Å; V77-R80 PolarHBondContact N-O 3Å; V77-R80 PolarHBondContact O-N 3.47Å; V77-R80 VanDerWaalsContact O-N 3.09Å; V77-I87 HydrophobicContact CG2-CD1 4.09Å
78S85.1Confident91.7Very high46 Ų4661.6 Ų61.632%0.32231%0.308SS..THydrogen-bonded Turntrans56.7-109.8-170-154.90000111.7K32 Q76K32-S78 PolarHBondContact NZ-OG 3.16Å; Q76-S78 PolarHBondContact NE2-O 2.99Å; Q76-S78 VanDerWaalsContact NE2-O 3.09Å
79H83.4Confident91.8Very high176 Ų17657.4 Ų57.482%0.81528%0.281SS*.THydrogen-bonded Turntrans-110.45.9-179.2-55.4-72.6000113.1V77V77-H79 PolarHBondContact O-N 3.42Å; V77-H79 VanDerWaalsContact O-N 3.09Å
80R85.3Confident91.8Very high133 Ų13357 Ų5750%0.50228%0.279SS..EExtended strand (participates in β ladder)trans-110.5136.2179.9-62.1-176.2-177.6171.20.8109.5E26 Q76 V77E26-R80 VanDerWaalsContact CD-NH1 3.25Å; E26-R80 IonicContact OE1-CZ 3.5Å; E26-R80 VanDerWaalsContact OE1-CZ 3.3Å; E26-R80 IonicContact OE1-NH1 3.61Å; E26-R80 PolarHBondContact OE1-NH1 3.43Å; E26-R80 IonicContact OE1-NH2 3.38Å; E26-R80 PolarHBondContact OE1-NH2 3.05Å; E26-R80 IonicContact OE2-NH1 3.59Å; E26-R80 PolarHBondContact OE2-NH1 2.84Å; Q76-R80 WeakPolarHBondContact CA-O 3.46Å; V77-R80 PolarHBondContact N-O 3Å; V77-R80 PolarHBondContact O-N 3.47Å; V77-R80 VanDerWaalsContact O-N 3.09Å
81K88.5Confident92Very high120 Ų12055 Ų5552%0.52227%0.265SS..EExtended strand (participates in β ladder)trans-100.8130.6169.7-68.9-171.8176.5-171.90108.4R74 L75 Q76R74-K81 HydrophobicContact CB-CB 4.43Å; L75-K81 WeakPolarHBondContact O-CA 3.22Å; Q76-K81 HydrophobicContact CB-CG 4.25Å; Q76-K81 HydrophobicContact CG-CG 4.42Å
82G91.6Very high92.3Very high22 Ų2245.8 Ų45.823%0.22722%0.217CC..EExtended strand (participates in β ladder)trans-146.5167.5178.500000111.6R74 L75R74-G82 CarbonylContact C-O 3.46Å; R74-G82 WeakPolarHBondContact CA-O 3.32Å; L75-G82 PolarHBondContact N-O 2.87Å; L75-G82 PolarHBondContact O-N 2.96Å
83L94.2Very high92.6Very high34 Ų3445.6 Ų45.618%0.17821%0.211CC..  trans-78.6134.2178.2-65.6174.7000110R74 H85 V86 I87 H100 F113R74-L83 HydrophobicContact CG-CD2 3.91Å; L83-H85 PolarHBondContact O-N 3.25Å; L83-V86 HydrophobicContact CB-CB 4.24Å; L83-V86 HydrophobicContact CB-CG2 3.85Å; L83-V86 HydrophobicContact CD1-CG2 4.49Å; L83-V86 WeakPolarHBondContact O-CB 3.28Å; L83-V86 PolarHBondContact O-N 2.79Å; L83-V86 VanDerWaalsContact O-N 3.13Å; L83-I87 WeakPolarHBondContact O-CG1 3.26Å; L83-I87 PolarHBondContact O-N 2.96Å; L83-H100 HydrophobicContact CD1-CB 3.63Å; L83-F113 HydrophobicContact CD1-CE1 4.17Å; L83-F113 HydrophobicContact CD1-CZ 4.37Å; L83-F113 HydrophobicContact CD2-CE1 3.99Å; L83-F113 HydrophobicContact CD2-CE2 3.79Å; L83-F113 HydrophobicContact CD2-CZ 3.36Å; L83-F113 HydrophobicContact CG-CZ 4.38Å
84P95.9Very high92.8Very high7 Ų747.3 Ų47.35%0.04522%0.216CC..Hα-helixtrans-55.4-50.5-172.2-2631000114.1I67 G73 L75 V86 I87 Y88 V120 I122I67-P84 HydrophobicContact CD1-CB 3.72Å; I67-P84 HydrophobicContact CD1-CG 4.03Å; I67-P84 HydrophobicContact CG1-CB 4.45Å; G73-P84 VanDerWaalsContact O-CD 3.29Å; G73-P84 WeakPolarHBondContact O-CD 3.24Å; L75-P84 HydrophobicContact CB-CG 4.13Å; P84-V86 VanDerWaalsContact C-N 3.29Å; P84-V86 PolarHBondContact O-N 2.87Å; P84-I87 PolarHBondContact O-N 3.48Å; P84-Y88 HydrophobicContact CB-CE2 4.38Å; P84-Y88 WeakPolarHBondContact O-CD2 3.34Å; P84-Y88 PolarHBondContact O-N 2.85Å; P84-Y88 VanDerWaalsContact O-N 3.08Å; P84-V120 HydrophobicContact CB-CG1 4.45Å; P84-I122 HydrophobicContact CB-CG2 3.92Å
85H96.2Very high92.9Very high7 Ų744.2 Ų44.23%0.03221%0.211CC..Hα-helixtrans-60.3-37.6179.664.4-71.8000112.6L83 C89 F113 Y127L83-H85 PolarHBondContact O-N 3.25Å; H85-C89 VanDerWaalsContact O-CB 3.27Å; H85-C89 WeakPolarHBondContact O-CB 3.33Å; H85-C89 PolarHBondContact O-N 3.03Å; H85-C89 PolarHBondContact O-SG 3.31Å; H85-F113 WeakPolarHBondContact CE1-CB 3.24Å; H85-F113 AromaticContact CE1-CD1 3.45Å; H85-F113 VanDerWaalsContact CE1-CD1 3.45Å; H85-F113 WeakPolarHBondContact CE1-CD1 3.27Å; H85-F113 AromaticContact CE1-CD2 3.71Å; H85-F113 AromaticContact CE1-CG 3.19Å; H85-F113 WeakPolarHBondContact CE1-CG 3.46Å; H85-F113 WeakPolarHBondContact ND1-CB 3.37Å; H85-F113 AromaticContact ND1-CD2 3.56Å; H85-F113 AromaticContact ND1-CG 3.4Å; H85-F113 WeakPolarHBondContact ND1-CG 3.15Å; H85-Y127 HydrophobicContact CB-CE1 4.02Å; H85-Y127 HydrophobicContact CB-CE2 3.82Å; H85-Y127 VanDerWaalsContact CB-CZ 3.49Å; H85-Y127 WeakPolarHBondContact CB-OH 3.31Å; H85-Y127 AromaticContact CD2-CE1 3.83Å
86V95.9Very high92.7Very high17 Ų1747.2 Ų47.210%0.10323%0.227CC..Hα-helixtrans-65.9-47.7175-178.40000110.9L83 P84 Y88 C89 R90 L97 H100 L103L83-V86 HydrophobicContact CB-CB 4.24Å; L83-V86 HydrophobicContact CB-CG2 3.85Å; L83-V86 HydrophobicContact CD1-CG2 4.49Å; L83-V86 WeakPolarHBondContact O-CB 3.28Å; L83-V86 PolarHBondContact O-N 2.79Å; L83-V86 VanDerWaalsContact O-N 3.13Å; P84-V86 VanDerWaalsContact C-N 3.29Å; P84-V86 PolarHBondContact O-N 2.87Å; V86-Y88 VanDerWaalsContact C-N 3.3Å; V86-Y88 PolarHBondContact O-N 3.44Å; V86-C89 PolarHBondContact O-N 3.44Å; V86-R90 VanDerWaalsContact O-CB 3.24Å; V86-R90 WeakPolarHBondContact O-CB 3.48Å; V86-R90 PolarHBondContact O-N 3.04Å; V86-L97 HydrophobicContact CB-CD2 4.47Å; V86-L97 HydrophobicContact CG1-CD2 3.77Å; V86-L97 HydrophobicContact CG1-CG 4.22Å; V86-H100 HydrophobicContact CG2-CB 3.44Å; V86-H100 VanDerWaalsContact CG2-CB 3.44Å; V86-L103 HydrophobicContact CG2-CD1 4.34Å
87I95.7Very high92.7Very high9 Ų941.8 Ų41.85%0.04620%0.202CC..Hα-helixtrans-54.7-49.3179.9-69.7165.7000110.2W29 A33 L75 V77 L83 P84 R90 V91W29-I87 HydrophobicContact CH2-CB 4.48Å; W29-I87 HydrophobicContact CH2-CG2 3.87Å; W29-I87 HydrophobicContact CZ2-CB 4.48Å; W29-I87 HydrophobicContact CZ2-CG1 4.25Å; W29-I87 HydrophobicContact CZ2-CG2 3.89Å; A33-I87 HydrophobicContact CB-CG2 3.93Å; L75-I87 HydrophobicContact CB-CD1 4.03Å; L75-I87 HydrophobicContact CD2-CD1 4.24Å; L75-I87 HydrophobicContact CG-CD1 4.42Å; V77-I87 HydrophobicContact CG2-CD1 4.09Å; L83-I87 WeakPolarHBondContact O-CG1 3.26Å; L83-I87 PolarHBondContact O-N 2.96Å; P84-I87 PolarHBondContact O-N 3.48Å; I87-R90 WeakPolarHBondContact O-CB 3.4Å; I87-R90 PolarHBondContact O-N 3.45Å; I87-V91 WeakPolarHBondContact O-CG2 3.28Å; I87-V91 PolarHBondContact O-N 3.31Å
88Y96.8Very high92.5Very high0 Ų044.9 Ų44.90%022%0.216CC..Hα-helixtrans-80.3-31.7-173.7-64.8-55.6000113.6A33 L37 L75 P84 V86 R90 V91 W92 I122A33-Y88 PolarHBondContact O-OH 3.34Å; L37-Y88 HydrophobicContact CB-CE1 3.65Å; L37-Y88 VanDerWaalsContact CB-OH 3.29Å; L37-Y88 WeakPolarHBondContact CB-OH 3.4Å; L37-Y88 HydrophobicContact CD1-CE1 4.27Å; L37-Y88 HydrophobicContact CD1-CE2 3.86Å; L37-Y88 HydrophobicContact CD2-CD1 3.88Å; L37-Y88 HydrophobicContact CD2-CE1 3.63Å; L37-Y88 HydrophobicContact CD2-CE2 4.44Å; L37-Y88 HydrophobicContact CD2-CG 4.41Å; L37-Y88 HydrophobicContact CG-CE1 4.03Å; L75-Y88 HydrophobicContact CD2-CE2 4.11Å; L75-Y88 WeakPolarHBondContact CD2-OH 3.36Å; P84-Y88 HydrophobicContact CB-CE2 4.38Å; P84-Y88 WeakPolarHBondContact O-CD2 3.34Å; P84-Y88 PolarHBondContact O-N 2.85Å; P84-Y88 VanDerWaalsContact O-N 3.08Å; V86-Y88 VanDerWaalsContact C-N 3.3Å; V86-Y88 PolarHBondContact O-N 3.44Å; Y88-R90 VanDerWaalsContact C-N 3.26Å; Y88-R90 PolarHBondContact O-N 3.43Å; Y88-V91 PolarHBondContact O-N 2.68Å; Y88-W92 AromaticContact CD1-CH2 3.8Å; Y88-W92 HydrophobicContact CD1-CH2 3.8Å; Y88-W92 AromaticContact CD1-CZ3 3.75Å; Y88-W92 HydrophobicContact CD1-CZ3 3.75Å; Y88-W92 HydrophobicContact CG-CH2 4.34Å; Y88-W92 AromaticContact CG-CZ3 3.86Å; Y88-W92 HydrophobicContact CG-CZ3 3.86Å; Y88-W92 PolarHBondContact O-N 3.02Å; Y88-W92 VanDerWaalsContact O-N 3.15Å; Y88-I122 HydrophobicContact CD2-CB 3.55Å; Y88-I122 HydrophobicContact CD2-CG1 4.26Å; Y88-I122 HydrophobicContact CD2-CG2 3.54Å; Y88-I122 HydrophobicContact CE2-CB 4.24Å; Y88-I122 HydrophobicContact CE2-CG2 3.92Å; Y88-I122 HydrophobicContact CG-CB 4.24Å
89C96.9Very high92.7Very high0 Ų043 Ų430%020%0.203CC..Hα-helixtrans-62-37.7166.1-69.60000111.5H85 V86 R93 W94 L97 L103H85-C89 VanDerWaalsContact O-CB 3.27Å; H85-C89 WeakPolarHBondContact O-CB 3.33Å; H85-C89 PolarHBondContact O-N 3.03Å; H85-C89 PolarHBondContact O-SG 3.31Å; V86-C89 PolarHBondContact O-N 3.44Å; C89-R93 WeakPolarHBondContact O-CA 3.5Å; C89-R93 WeakPolarHBondContact O-CB 3.24Å; C89-R93 PolarHBondContact O-N 2.8Å; C89-W94 HydrophobicContact CB-CE3 4.16Å; C89-W94 HydrophobicContact CB-CZ3 4.32Å; C89-W94 PolarHBondContact O-N 3.4Å; C89-L97 HydrophobicContact CB-CD2 3.88Å; C89-L103 HydrophobicContact CB-CD1 3.92Å
90R95.2Very high93Very high55 Ų5537.5 Ų37.521%0.20818%0.177CC..Hα-helixtrans-65.5-42.6177.1-173.4174.7-179.5177.3-12.4112.4E26 V86 I87 Y88 W94 P95 L97E26-R90 IonicContact OE2-NH2 3.04Å; V86-R90 VanDerWaalsContact O-CB 3.24Å; V86-R90 WeakPolarHBondContact O-CB 3.48Å; V86-R90 PolarHBondContact O-N 3.04Å; I87-R90 WeakPolarHBondContact O-CB 3.4Å; I87-R90 PolarHBondContact O-N 3.45Å; Y88-R90 VanDerWaalsContact C-N 3.26Å; Y88-R90 PolarHBondContact O-N 3.43Å; R90-W94 VanDerWaalsContact CA-O 3.31Å; R90-W94 WeakPolarHBondContact CA-O 3.14Å; R90-W94 CarbonylContact O-C 3.59Å; R90-P95 PolarHBondContact NE-O 3.4Å; R90-P95 WeakPolarHBondContact O-CA 3.41Å; R90-L97 HydrophobicContact CB-CB 4.29Å; R90-L97 HydrophobicContact CB-CD2 4.46Å; R90-L97 WeakPolarHBondContact CD-O 2.87Å; R90-L97 HydrophobicContact CG-CB 4.42Å
91V95.9Very high93.2Very high4 Ų433.4 Ų33.42%0.02416%0.164CC..Hα-helixtrans-64.5-43.3178.7172.70000111.9K21 Q22 W29 A30 A33 V34 I87 Y88K21-V91 CarbonylContact C-O 3.59Å; K21-V91 WeakPolarHBondContact CA-O 3.34Å; K21-V91 HydrophobicContact CG-CG1 4.37Å; Q22-V91 PolarHBondContact N-O 2.86Å; W29-V91 HydrophobicContact CH2-CG2 4.09Å; W29-V91 HydrophobicContact CZ3-CG2 3.69Å; A30-V91 HydrophobicContact CB-CG2 4.35Å; A33-V91 HydrophobicContact CB-CG2 4.4Å; V34-V91 HydrophobicContact CG2-CG1 4.09Å; I87-V91 WeakPolarHBondContact O-CG2 3.28Å; I87-V91 PolarHBondContact O-N 3.31Å; Y88-V91 PolarHBondContact O-N 2.68Å
92W96.6Very high93.5Very high3 Ų328.2 Ų28.21%0.01114%0.141CC..Hα-helixtrans-110-6.8-167.9-64.8-56.9000116.5L17 Q22 V34 L37 L51 L55 Y88 P124L17-W92 HydrophobicContact CB-CZ2 4.35Å; L17-W92 PolarHBondContact O-NE1 3.33Å; Q22-W92 WeakPolarHBondContact CG-O 3.2Å; V34-W92 HydrophobicContact CG2-CZ2 4.12Å; L37-W92 HydrophobicContact CD2-CH2 3.42Å; L37-W92 VanDerWaalsContact CD2-CH2 3.42Å; L37-W92 HydrophobicContact CD2-CZ2 4.35Å; L37-W92 HydrophobicContact CD2-CZ3 4.18Å; L51-W92 HydrophobicContact CD1-CH2 4.28Å; L51-W92 HydrophobicContact CD1-CZ3 4.08Å; L51-W92 HydrophobicContact CD2-CH2 3.74Å; L51-W92 HydrophobicContact CD2-CZ2 4.37Å; L51-W92 HydrophobicContact CD2-CZ3 4.32Å; L51-W92 HydrophobicContact CG-CH2 4.48Å; L55-W92 HydrophobicContact CD1-CD2 4.05Å; L55-W92 HydrophobicContact CD1-CG 4.3Å; L55-W92 HydrophobicContact CD1-CZ2 4.11Å; L55-W92 HydrophobicContact CD2-CB 3.8Å; L55-W92 HydrophobicContact CD2-CD2 3.85Å; L55-W92 HydrophobicContact CD2-CE3 4.2Å; L55-W92 HydrophobicContact CD2-CG 3.66Å; Y88-W92 AromaticContact CD1-CH2 3.8Å; Y88-W92 HydrophobicContact CD1-CH2 3.8Å; Y88-W92 AromaticContact CD1-CZ3 3.75Å; Y88-W92 HydrophobicContact CD1-CZ3 3.75Å; Y88-W92 HydrophobicContact CG-CH2 4.34Å; Y88-W92 AromaticContact CG-CZ3 3.86Å; Y88-W92 HydrophobicContact CG-CZ3 3.86Å; Y88-W92 PolarHBondContact O-N 3.02Å; Y88-W92 VanDerWaalsContact O-N 3.15Å; W92-P124 HydrophobicContact CB-CG 4.12Å; W92-P124 HydrophobicContact CE3-CG 3.99Å
93R94.9Very high93.7Very high69 Ų6927.8 Ų27.826%0.2613%0.134SC..THydrogen-bonded Turntrans-134.2-54.9-178.6-65.5-172.268.9-171.31113.7C89 P124 Y127C89-R93 WeakPolarHBondContact O-CA 3.5Å; C89-R93 WeakPolarHBondContact O-CB 3.24Å; C89-R93 PolarHBondContact O-N 2.8Å; R93-P124 WeakPolarHBondContact CD-O 3.29Å; R93-P124 HydrophobicContact CG-CB 3.9Å; R93-P124 HydrophobicContact CG-CG 4.48Å; R93-P124 PolarHBondContact NH1-O 3.31Å; R93-Y127 PolarHBondContact NH1-O 3.06Å
94W94.3Very high93.7Very high41 Ų4131.7 Ų31.716%0.15515%0.149CC..  trans-130.487-168.8-58.1-61.4000110.8C89 R90 D96 L97 L103 R129C89-W94 HydrophobicContact CB-CE3 4.16Å; C89-W94 HydrophobicContact CB-CZ3 4.32Å; C89-W94 PolarHBondContact O-N 3.4Å; R90-W94 VanDerWaalsContact CA-O 3.31Å; R90-W94 WeakPolarHBondContact CA-O 3.14Å; R90-W94 CarbonylContact O-C 3.59Å; W94-D96 PolarHBondContact O-N 2.8Å; W94-D96 VanDerWaalsContact O-N 3.11Å; W94-L97 HydrophobicContact CB-CB 4.04Å; W94-L97 WeakPolarHBondContact O-CB 3.23Å; W94-L97 PolarHBondContact O-N 2.97Å; W94-L103 HydrophobicContact CE3-CD2 3.75Å; W94-L103 HydrophobicContact CH2-CD2 4.25Å; W94-L103 HydrophobicContact CZ3-CD2 3.35Å; W94-R129 HydrophobicContact CD2-CB 4.29Å; W94-R129 HydrophobicContact CH2-CB 3.89Å; W94-R129 VanDerWaalsContact CH2-N 3.29Å; W94-R129 HydrophobicContact CZ2-CB 3.61Å; W94-R129 HydrophobicContact CZ3-CB 4.37Å
95P92.6Very high93.7Very high50 Ų5034.5 Ų34.533%0.32517%0.167SC..THydrogen-bonded Turntrans-58.1-27-177.9-25.936.6000113.7Q22 R90 L97Q22-P95 HydrophobicContact CB-CG 3.5Å; Q22-P95 VanDerWaalsContact CB-CG 3.5Å; Q22-P95 VanDerWaalsContact O-CG 3.26Å; Q22-P95 WeakPolarHBondContact O-CG 3.4Å; R90-P95 PolarHBondContact NE-O 3.4Å; R90-P95 WeakPolarHBondContact O-CA 3.41Å; P95-L97 VanDerWaalsContact C-N 3.34Å
96D89.5Confident93.7Very high82 Ų8236.9 Ų36.944%0.43918%0.18SC..THydrogen-bonded Turntrans-82.2-6.9179.667.2-46.1000113.8W94 Q98 R129W94-D96 PolarHBondContact O-N 2.8Å; W94-D96 VanDerWaalsContact O-N 3.11Å; D96-Q98 WeakPolarHBondContact O-CG 3.38Å; D96-Q98 PolarHBondContact O-N 2.87Å; D96-Q98 PolarHBondContact O-NE2 3.1Å; D96-R129 VanDerWaalsContact CG-NH1 3.27Å; D96-R129 IonicContact OD1-CZ 3.26Å; D96-R129 IonicContact OD1-NH1 3.73Å; D96-R129 PolarHBondContact OD1-NH1 3.32Å; D96-R129 IonicContact OD1-NH2 2.87Å; D96-R129 IonicContact OD2-CZ 3.71Å; D96-R129 IonicContact OD2-NH1 3.93Å; D96-R129 PolarHBondContact OD2-NH1 3.36Å; D96-R129 IonicContact OD2-NH2 2.67Å; D96-R129 PolarHBondContact OD2-NH2 2.99Å
97L91.6Very high93.6Very high0 Ų046 Ų460%022%0.221CC..  trans-57.8121.1179-17273.4000111.4V86 C89 R90 W94 P95 E102 L103V86-L97 HydrophobicContact CB-CD2 4.47Å; V86-L97 HydrophobicContact CG1-CD2 3.77Å; V86-L97 HydrophobicContact CG1-CG 4.22Å; C89-L97 HydrophobicContact CB-CD2 3.88Å; R90-L97 HydrophobicContact CB-CB 4.29Å; R90-L97 HydrophobicContact CB-CD2 4.46Å; R90-L97 WeakPolarHBondContact CD-O 2.87Å; R90-L97 HydrophobicContact CG-CB 4.42Å; W94-L97 HydrophobicContact CB-CB 4.04Å; W94-L97 WeakPolarHBondContact O-CB 3.23Å; W94-L97 PolarHBondContact O-N 2.97Å; P95-L97 VanDerWaalsContact C-N 3.34Å; L97-E102 HydrophobicContact CD1-CB 3.54Å; L97-E102 HydrophobicContact CD1-CG 4.35Å; L97-L103 HydrophobicContact CD1-CD2 3.97Å; L97-L103 HydrophobicContact CD1-CG 4.08Å; L97-L103 HydrophobicContact CD2-CD1 3.79Å; L97-L103 HydrophobicContact CD2-CD2 4.14Å; L97-L103 HydrophobicContact CD2-CG 4.04Å
98Q87.2Confident93.6Very high67 Ų6749.3 Ų49.331%0.31325%0.245SC..  trans-106.9-31.7-177.1-60.2-56.6-42.200112.9D96 E102D96-Q98 WeakPolarHBondContact O-CG 3.38Å; D96-Q98 PolarHBondContact O-N 2.87Å; D96-Q98 PolarHBondContact O-NE2 3.1Å; Q98-E102 PolarHBondContact N-OE1 3.38Å
99S87.5Confident93.6Very high7 Ų749.9 Ų49.95%0.04925%0.248CC..  trans-134.5153.3-171.5-173.50000113.1H101 E102S99-H101 PolarHBondContact O-N 2.76Å; S99-H101 PolarHBondContact OG-CD2 3.49Å; S99-H101 PolarHBondContact OG-N 2.93Å; S99-E102 PolarHBondContact N-OE1 2.73Å; S99-E102 WeakPolarHBondContact O-CB 3.43Å; S99-E102 PolarHBondContact O-N 2.82Å
100H90.7Very high93.6Very high61 Ų6156.4 Ų56.428%0.28228%0.279SS..G310 helixtrans-68.8-22.5170.875.8-73.7000113.1L83 V86 E102 L103L83-H100 HydrophobicContact CD1-CB 3.63Å; V86-H100 HydrophobicContact CG2-CB 3.44Å; V86-H100 VanDerWaalsContact CG2-CB 3.44Å; H100-E102 PolarHBondContact O-N 2.64Å; H100-L103 PolarHBondContact O-N 3.18Å
101H90.2Very high93.7Very high47 Ų4756 Ų5622%0.21828%0.279CS..G310 helixtrans-64.9-24.4176.8-61.5-64000112.4S99 L103 Y337 V339 E346S99-H101 PolarHBondContact O-N 2.76Å; S99-H101 PolarHBondContact OG-CD2 3.49Å; S99-H101 PolarHBondContact OG-N 2.93Å; H101-L103 PolarHBondContact O-N 3.01Å; H101-Y337 HydrophobicContact CB-CD2 3.66Å; H101-Y337 HydrophobicContact CB-CE2 3.4Å; H101-Y337 AromaticContact CD2-CD1 3.64Å; H101-Y337 AromaticContact CD2-CD2 3.63Å; H101-Y337 AromaticContact CD2-CE1 3.26Å; H101-Y337 WeakPolarHBondContact CD2-CE1 3.3Å; H101-Y337 AromaticContact CD2-CE2 3.23Å; H101-Y337 WeakPolarHBondContact CD2-CE2 3.31Å; H101-Y337 AromaticContact CD2-CG 3.82Å; H101-Y337 AromaticContact CD2-CZ 3.04Å; H101-Y337 AromaticContact CE1-CZ 3.47Å; H101-Y337 VanDerWaalsContact CE1-CZ 3.47Å; H101-Y337 PolarHBondContact CE1-OH 3.24Å; H101-Y337 AromaticContact CG-CD2 3.76Å; H101-Y337 AromaticContact CG-CE2 3.16Å; H101-Y337 AromaticContact CG-CZ 3.35Å; H101-Y337 AromaticContact ND1-CE2 3.73Å; H101-Y337 AromaticContact ND1-CZ 3.6Å; H101-Y337 PolarHBondContact ND1-OH 3.34Å; H101-Y337 AromaticContact NE2-CE1 3.29Å; H101-Y337 VanDerWaalsContact NE2-CE1 3.29Å; H101-Y337 WeakPolarHBondContact NE2-CE1 3.29Å; H101-Y337 AromaticContact NE2-CE2 3.86Å; H101-Y337 AromaticContact NE2-CZ 3.17Å; H101-Y337 PolarHBondContact NE2-OH 2.81Å; H101-V339 HydrophobicContact CB-CG2 4.14Å; H101-E346 IonicContact NE2-OE2 3.59Å
102E93.5Very high93.7Very high10 Ų1057 Ų575%0.04729%0.285CS..G310 helixtrans-73.3-4.3173.5-65.2177-97.200113.2L97 Q98 S99 H100 R129 V130 V339L97-E102 HydrophobicContact CD1-CB 3.54Å; L97-E102 HydrophobicContact CD1-CG 4.35Å; Q98-E102 PolarHBondContact N-OE1 3.38Å; S99-E102 PolarHBondContact N-OE1 2.73Å; S99-E102 WeakPolarHBondContact O-CB 3.43Å; S99-E102 PolarHBondContact O-N 2.82Å; H100-E102 PolarHBondContact O-N 2.64Å; E102-R129 CarbonylContact O-C 3.53Å; E102-R129 VanDerWaalsContact O-CA 3.24Å; E102-R129 WeakPolarHBondContact O-CA 3.31Å; E102-R129 WeakPolarHBondContact O-CG 3.45Å; E102-R129 IonicContact OE2-CZ 2.74Å; E102-R129 IonicContact OE2-NE 3.97Å; E102-R129 PolarHBondContact OE2-NE 3.37Å; E102-R129 IonicContact OE2-NH2 2.79Å; E102-R129 PolarHBondContact OE2-NH2 3.04Å; E102-V130 PolarHBondContact O-N 2.85Å; E102-V339 HydrophobicContact CG-CG1 4.21Å; E102-V339 HydrophobicContact CG-CG2 3.68Å
103L95.4Very high93.5Very high14 Ų1458.6 Ų58.67%0.07329%0.292CS..EExtended strand (participates in β ladder)trans-116.4135.7-179.6-63-177.8000111.8V86 C89 W94 L97 H100 H101 Y127 K128V86-L103 HydrophobicContact CG2-CD1 4.34Å; C89-L103 HydrophobicContact CB-CD1 3.92Å; W94-L103 HydrophobicContact CE3-CD2 3.75Å; W94-L103 HydrophobicContact CH2-CD2 4.25Å; W94-L103 HydrophobicContact CZ3-CD2 3.35Å; L97-L103 HydrophobicContact CD1-CD2 3.97Å; L97-L103 HydrophobicContact CD1-CG 4.08Å; L97-L103 HydrophobicContact CD2-CD1 3.79Å; L97-L103 HydrophobicContact CD2-CD2 4.14Å; L97-L103 HydrophobicContact CD2-CG 4.04Å; H100-L103 PolarHBondContact O-N 3.18Å; H101-L103 PolarHBondContact O-N 3.01Å; L103-Y127 HydrophobicContact CB-CD1 4.35Å; L103-K128 WeakPolarHBondContact CA-O 3.24Å
104K94.9Very high93.4Very high116 Ų11658.4 Ų58.450%0.50431%0.312SS..EExtended strand (participates in β ladder)trans-116.7133.1165.3-74.4177.2-178.9177.90109.4Y127 K128 V130K104-Y127 CarbonylContact O-C 3.59Å; K104-Y127 WeakPolarHBondContact O-CA 3.36Å; K104-K128 HydrophobicContact CB-CG 4.09Å; K104-K128 PolarHBondContact N-O 2.83Å; K104-K128 PolarHBondContact O-N 3.39Å; K104-V130 HydrophobicContact CD-CG2 3.92Å; K104-V130 HydrophobicContact CG-CG2 3.76Å
105P96.3Very high93.2Very high65 Ų6558.7 Ų58.742%0.42232%0.32SS..EExtended strand (participates in β ladder)trans-64.5148.5172.129.5-34.3000110.4C109 P112 H126 Y127P105-C109 HydrophobicContact CB-CB 4.46Å; P105-P112 HydrophobicContact CB-CB 3.5Å; P105-P112 HydrophobicContact CG-CB 3.84Å; P105-H126 WeakPolarHBondContact CA-O 3.21Å; P105-Y127 HydrophobicContact CB-CD1 4.37Å; P105-Y127 HydrophobicContact CB-CE1 4.28Å
106L95.9Very high93Very high57 Ų5765.1 Ų65.130%0.29834%0.343SS..  trans-78.2155.1167.9-62-176000110.2C108 C109 Y125 H126 K128L106-C108 PolarHBondContact O-N 3.44Å; L106-C109 VanDerWaalsContact O-CB 3.23Å; L106-C109 WeakPolarHBondContact O-CB 3.48Å; L106-C109 PolarHBondContact O-N 2.92Å; L106-Y125 WeakPolarHBondContact CD1-O 3.39Å; L106-H126 PolarHBondContact N-O 2.92Å; L106-K128 HydrophobicContact CD2-CB 3.95Å; L106-K128 HydrophobicContact CD2-CD 3.86Å; L106-K128 HydrophobicContact CD2-CG 3.91Å
107E94.8Very high93.1Very high208 Ų20864.8 Ų64.897%0.97234%0.339SS*.THydrogen-bonded Turntrans-61-27.4-179.9-65.3177.7-177.300113C109E107-C109 PolarHBondContact O-N 3.44Å
108C94.8Very high93.3Very high80 Ų8073.9 Ų73.954%0.54138%0.378SS..THydrogen-bonded Turntrans-74.6-6.717661.80000114.3L106 E110L106-C108 PolarHBondContact O-N 3.44Å; C108-E110 PolarHBondContact O-N 2.91Å
109C96.6Very high93.7Very high11 Ų1173.4 Ų73.47%0.07438%0.376CS..  trans-83.4112179.1-171.70000110.2P105 L106 E107 P112 H126P105-C109 HydrophobicContact CB-CB 4.46Å; L106-C109 VanDerWaalsContact O-CB 3.23Å; L106-C109 WeakPolarHBondContact O-CB 3.48Å; L106-C109 PolarHBondContact O-N 2.92Å; E107-C109 PolarHBondContact O-N 3.44Å; C109-P112 WeakPolarHBondContact O-CD 3.14Å; C109-H126 HydrophobicContact CB-CB 3.99Å
110E96.7Very high94.1Very high138 Ų13873.1 Ų73.165%0.64537%0.374SS*.SBendtrans-78.9-24.5178.5-62.4-179.7167.300112.9C64 C108 P112 Q117C64-E110 PolarHBondContact SG-N 2.79Å; C108-E110 PolarHBondContact O-N 2.91Å; E110-P112 WeakPolarHBondContact O-CD 3.38Å; E110-Q117 PolarHBondContact O-NE2 3.15Å
111F97.2Very high94.5Very high47 Ų4770.2 Ų70.221%0.20636%0.361CS..SBendtrans-120.748.5-175.6-56.8-87.3000113.2C64 T66 Q117 E119 C121C64-F111 HydrophobicContact CB-CD2 3.77Å; C64-F111 HydrophobicContact CB-CE2 4.41Å; T66-F111 HydrophobicContact CG2-CB 3.82Å; T66-F111 HydrophobicContact CG2-CD1 4.49Å; T66-F111 HydrophobicContact CG2-CD2 3.71Å; T66-F111 HydrophobicContact CG2-CE2 4.45Å; T66-F111 HydrophobicContact CG2-CG 3.74Å; F111-Q117 VanDerWaalsContact CE1-OE1 3.25Å; F111-E119 HydrophobicContact CD1-CB 4.05Å; F111-C121 HydrophobicContact CB-CB 4.15Å; F111-C121 VanDerWaalsContact O-CB 3.28Å; F111-C121 WeakPolarHBondContact O-CB 3.06Å; F111-C121 PolarHBondContact O-N 3.33Å
112P96.4Very high94.8Very high23 Ų2368 Ų6815%0.14935%0.35CS..  trans-67153.5-178.331.6-35.3000110.1P105 C109 E110 G114 S115P105-P112 HydrophobicContact CB-CB 3.5Å; P105-P112 HydrophobicContact CG-CB 3.84Å; C109-P112 WeakPolarHBondContact O-CD 3.14Å; E110-P112 WeakPolarHBondContact O-CD 3.38Å; P112-G114 PolarHBondContact O-N 3.42Å; P112-G114 VanDerWaalsContact O-N 3.11Å; P112-S115 PolarHBondContact O-N 3.45Å; P112-S115 VanDerWaalsContact O-N 3.07Å; P112-S115 PolarHBondContact O-OG 3.43Å
113F93.4Very high95Very high37 Ų3767.5 Ų67.516%0.16235%0.348CS..G310 helixtrans-60.3-30.2-176.3-178.9-96.5000113R69 L83 H85 S115 V120R69-F113 PolarHBondContact NH2-O 3.12Å; L83-F113 HydrophobicContact CD1-CE1 4.17Å; L83-F113 HydrophobicContact CD1-CZ 4.37Å; L83-F113 HydrophobicContact CD2-CE1 3.99Å; L83-F113 HydrophobicContact CD2-CE2 3.79Å; L83-F113 HydrophobicContact CD2-CZ 3.36Å; L83-F113 HydrophobicContact CG-CZ 4.38Å; H85-F113 WeakPolarHBondContact CE1-CB 3.24Å; H85-F113 AromaticContact CE1-CD1 3.45Å; H85-F113 VanDerWaalsContact CE1-CD1 3.45Å; H85-F113 WeakPolarHBondContact CE1-CD1 3.27Å; H85-F113 AromaticContact CE1-CD2 3.71Å; H85-F113 AromaticContact CE1-CG 3.19Å; H85-F113 WeakPolarHBondContact CE1-CG 3.46Å; H85-F113 WeakPolarHBondContact ND1-CB 3.37Å; H85-F113 AromaticContact ND1-CD2 3.56Å; H85-F113 AromaticContact ND1-CG 3.4Å; H85-F113 WeakPolarHBondContact ND1-CG 3.15Å; F113-S115 VanDerWaalsContact C-N 3.31Å; F113-S115 PolarHBondContact O-N 3.38Å; F113-V120 HydrophobicContact CB-CG1 4.32Å; F113-V120 HydrophobicContact CD2-CG1 3.89Å; F113-V120 HydrophobicContact CD2-CG2 4.07Å
114G91.1Very high95Very high66 Ų6666.8 Ų66.868%0.6835%0.345SS*.G310 helixtrans-69.2-20.1178.100000115.1P112 K116P112-G114 PolarHBondContact O-N 3.42Å; P112-G114 VanDerWaalsContact O-N 3.11Å; G114-K116 PolarHBondContact O-N 3.37Å; G114-K116 VanDerWaalsContact O-N 3.13Å
115S91.6Very high95.1Very high47 Ų4763.3 Ų63.333%0.32933%0.329SS..G310 helixtrans-72.2-7.3-173.969.30000114.5P112 F113 Q117P112-S115 PolarHBondContact O-N 3.45Å; P112-S115 VanDerWaalsContact O-N 3.07Å; P112-S115 PolarHBondContact O-OG 3.43Å; F113-S115 VanDerWaalsContact C-N 3.31Å; F113-S115 PolarHBondContact O-N 3.38Å; S115-Q117 PolarHBondContact O-N 2.6Å; S115-Q117 VanDerWaalsContact OG-CG 3.29Å; S115-Q117 WeakPolarHBondContact OG-CG 3.45Å; S115-Q117 PolarHBondContact OG-NE2 3.11Å
116K87.7Confident95.2Very high185 Ų18560.4 Ų60.480%0.80431%0.309SS*.  trans53.520.3-176.8-59.6-179.2-1781770114.3G114G114-K116 PolarHBondContact O-N 3.37Å; G114-K116 VanDerWaalsContact O-N 3.13Å
117Q92.7Very high95.2Very high75 Ų7557.9 Ų57.935%0.3530%0.296SS..  trans-68164.5174.6-67.9178.546.700112.1R69 E110 F111 S115 E119R69-Q117 WeakPolarHBondContact CD-O 3.26Å; R69-Q117 PolarHBondContact NE-O 2.86Å; E110-Q117 PolarHBondContact O-NE2 3.15Å; F111-Q117 VanDerWaalsContact CE1-OE1 3.25Å; S115-Q117 PolarHBondContact O-N 2.6Å; S115-Q117 VanDerWaalsContact OG-CG 3.29Å; S115-Q117 WeakPolarHBondContact OG-CG 3.45Å; S115-Q117 PolarHBondContact OG-NE2 3.11Å; Q117-E119 PolarHBondContact O-N 2.87Å
118K95Very high95.2Very high190 Ų19053.4 Ų53.483%0.82627%0.273SS*.SBendtrans-64.1-22.3179.4-66.6-176.8-179.6177.70113.4R69R69-K118 WeakPolarHBondContact CB-O 3.45Å; R69-K118 PolarHBondContact N-O 3.15Å
119E95.3Very high95.2Very high57 Ų5752.7 Ų52.727%0.26626%0.259SS..EExtended strand (participates in β ladder)trans-114.9156.7176.4-66.6-160.288.800110.9K44 T66 I67 F111 Q117K44-E119 IonicContact NZ-OE1 2.75Å; K44-E119 PolarHBondContact NZ-OE1 2.94Å; K44-E119 IonicContact NZ-OE2 2.7Å; T66-E119 WeakPolarHBondContact CB-OE1 3.26Å; T66-E119 HydrophobicContact CG2-CB 4.38Å; T66-E119 VanDerWaalsContact OG1-CD 3.32Å; T66-E119 PolarHBondContact OG1-OE1 3.32Å; I67-E119 WeakPolarHBondContact O-CA 3.44Å; F111-E119 HydrophobicContact CD1-CB 4.05Å; Q117-E119 PolarHBondContact O-N 2.87Å
120V96.5Very high95Very high1 Ų153.6 Ų53.61%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-130.9127.3178.11760000108.9T66 I67 R69 P84 F113T66-V120 CarbonylContact C-O 3.56Å; T66-V120 VanDerWaalsContact CA-O 3.24Å; T66-V120 WeakPolarHBondContact CA-O 3.48Å; I67-V120 PolarHBondContact N-O 3.46Å; I67-V120 PolarHBondContact O-N 3.39Å; R69-V120 HydrophobicContact CB-CG2 4.01Å; R69-V120 HydrophobicContact CG-CG2 4.18Å; P84-V120 HydrophobicContact CB-CG1 4.45Å; F113-V120 HydrophobicContact CB-CG1 4.32Å; F113-V120 HydrophobicContact CD2-CG1 3.89Å; F113-V120 HydrophobicContact CD2-CG2 4.07Å
121C97.7Very high94.5Very high0 Ų055 Ų550%027%0.271CS..EExtended strand (participates in β ladder)trans-66.5136.3171.9-169.20000110.9V65 F111 N123 H126 Y127V65-C121 CarbonylContact O-C 3.59Å; V65-C121 WeakPolarHBondContact O-CA 3.45Å; F111-C121 HydrophobicContact CB-CB 4.15Å; F111-C121 VanDerWaalsContact O-CB 3.28Å; F111-C121 WeakPolarHBondContact O-CB 3.06Å; F111-C121 PolarHBondContact O-N 3.33Å; C121-N123 PolarHBondContact SG-N 3.29Å; C121-H126 PolarHBondContact SG-ND1 3.11Å; C121-H126 VanDerWaalsContact SG-ND1 3.36Å; C121-Y127 PolarHBondContact O-OH 3.24Å
122I97.2Very high93.8Very high0 Ų055.7 Ų55.70%028%0.282CS..  trans-1223.1175.462.476.1000112.4L37 L51 V65 I67 P84 Y88 P124L37-I122 HydrophobicContact CD1-CD1 4.13Å; L37-I122 HydrophobicContact CD1-CG1 4.07Å; L37-I122 HydrophobicContact CD2-CD1 4.01Å; L51-I122 HydrophobicContact CD1-CD1 4.02Å; L51-I122 HydrophobicContact CD2-CD1 4.23Å; V65-I122 HydrophobicContact CB-CD1 3.95Å; V65-I122 HydrophobicContact CB-CG1 4.47Å; V65-I122 HydrophobicContact CG1-CD1 3.51Å; V65-I122 HydrophobicContact CG1-CG1 4.1Å; V65-I122 WeakPolarHBondContact O-CG1 3.31Å; V65-I122 PolarHBondContact O-N 2.97Å; I67-I122 HydrophobicContact CD1-CG2 4.12Å; I67-I122 HydrophobicContact CG1-CG2 3.98Å; I67-I122 HydrophobicContact CG2-CG1 4.36Å; P84-I122 HydrophobicContact CB-CG2 3.92Å; Y88-I122 HydrophobicContact CD2-CB 3.55Å; Y88-I122 HydrophobicContact CD2-CG1 4.26Å; Y88-I122 HydrophobicContact CD2-CG2 3.54Å; Y88-I122 HydrophobicContact CE2-CB 4.24Å; Y88-I122 HydrophobicContact CE2-CG2 3.92Å; Y88-I122 HydrophobicContact CG-CB 4.24Å; I122-P124 VanDerWaalsContact O-CD 3.28Å; I122-P124 WeakPolarHBondContact O-CD 3.49Å; I122-P124 VanDerWaalsContact O-N 3.16Å
123N97Very high93.2Very high0 Ų056.9 Ų56.90%029%0.289CS..  trans-63.6113.2173.4-179.1-14.5000108.5S62 N63 V65 C121 Y125 H126 Y127S62-N123 PolarHBondContact OG-ND2 3.24Å; N63-N123 PolarHBondContact O-ND2 3.39Å; N63-N123 VanDerWaalsContact O-ND2 3.08Å; V65-N123 HydrophobicContact CB-CB 4.29Å; V65-N123 HydrophobicContact CG2-CB 4.33Å; C121-N123 PolarHBondContact SG-N 3.29Å; N123-Y125 PolarHBondContact O-N 3.22Å; N123-Y125 VanDerWaalsContact O-N 3.16Å; N123-Y125 PolarHBondContact OD1-N 2.77Å; N123-H126 HydrophobicContact CB-CB 4.29Å; N123-H126 PolarHBondContact ND2-CD2 2.96Å; N123-H126 PolarHBondContact ND2-NE2 2.9Å; N123-H126 WeakPolarHBondContact O-CB 3.24Å; N123-H126 PolarHBondContact O-N 2.75Å; N123-Y127 WeakPolarHBondContact O-CD2 3.12Å
124P96.7Very high92.8Very high0 Ų062.1 Ų62.10%032%0.324CS..G310 helixtrans-68.2-18-173.331.9-38.8000112.6L55 W92 R93 I122 H126L55-P124 HydrophobicContact CD2-CG 3.8Å; W92-P124 HydrophobicContact CB-CG 4.12Å; W92-P124 HydrophobicContact CE3-CG 3.99Å; R93-P124 WeakPolarHBondContact CD-O 3.29Å; R93-P124 HydrophobicContact CG-CB 3.9Å; R93-P124 HydrophobicContact CG-CG 4.48Å; R93-P124 PolarHBondContact NH1-O 3.31Å; I122-P124 VanDerWaalsContact O-CD 3.28Å; I122-P124 WeakPolarHBondContact O-CD 3.49Å; I122-P124 VanDerWaalsContact O-N 3.16Å; P124-H126 VanDerWaalsContact C-N 3.31Å
125Y97Very high92.8Very high43 Ų4360 Ų6017%0.16930%0.297CS..G310 helixtrans-85.4-0.2175.1-61.4-72.6000113.8A54 L55 P58 L106 N123 Y127A54-Y125 HydrophobicContact CB-CD2 4.42Å; A54-Y125 VanDerWaalsContact O-CD2 3.28Å; A54-Y125 WeakPolarHBondContact O-CD2 3.45Å; A54-Y125 WeakPolarHBondContact O-CE2 3.43Å; L55-Y125 HydrophobicContact CD2-CE2 4.19Å; P58-Y125 HydrophobicContact CB-CE1 3.68Å; P58-Y125 WeakPolarHBondContact CB-OH 3.36Å; P58-Y125 WeakPolarHBondContact CG-OH 3.3Å; L106-Y125 WeakPolarHBondContact CD1-O 3.39Å; N123-Y125 PolarHBondContact O-N 3.22Å; N123-Y125 VanDerWaalsContact O-N 3.16Å; N123-Y125 PolarHBondContact OD1-N 2.77Å; Y125-Y127 VanDerWaalsContact C-N 3.28Å
126H97.4Very high92.7Very high3 Ų362 Ų621%0.01431%0.309CS..G310 helixtrans-927.5170.2-73.9-164.1000112.9S62 N63 C64 P105 L106 C109 C121 N123 P124S62-H126 PolarHBondContact O-CE1 3.29Å; S62-H126 VanDerWaalsContact O-CE1 3.3Å; S62-H126 PolarHBondContact O-NE2 3.46Å; N63-H126 PolarHBondContact O-CE1 2.95Å; N63-H126 VanDerWaalsContact O-CE1 3.32Å; C64-H126 VanDerWaalsContact CA-CE1 3.47Å; C64-H126 WeakPolarHBondContact CA-CE1 3.44Å; C64-H126 PolarHBondContact N-CE1 3.07Å; C64-H126 PolarHBondContact SG-CE1 3.08Å; C64-H126 PolarHBondContact SG-ND1 3.25Å; C64-H126 VanDerWaalsContact SG-ND1 3.38Å; P105-H126 WeakPolarHBondContact CA-O 3.21Å; L106-H126 PolarHBondContact N-O 2.92Å; C109-H126 HydrophobicContact CB-CB 3.99Å; C121-H126 PolarHBondContact SG-ND1 3.11Å; C121-H126 VanDerWaalsContact SG-ND1 3.36Å; N123-H126 HydrophobicContact CB-CB 4.29Å; N123-H126 PolarHBondContact ND2-CD2 2.96Å; N123-H126 PolarHBondContact ND2-NE2 2.9Å; N123-H126 WeakPolarHBondContact O-CB 3.24Å; N123-H126 PolarHBondContact O-N 2.75Å; P124-H126 VanDerWaalsContact C-N 3.31Å
127Y96.9Very high92.9Very high5 Ų556.4 Ų56.42%0.0229%0.291CS..EExtended strand (participates in β ladder)trans-126.3148175.7-61-88.8000109.2H85 R93 L103 K104 P105 C121 N123 Y125H85-Y127 HydrophobicContact CB-CE1 4.02Å; H85-Y127 HydrophobicContact CB-CE2 3.82Å; H85-Y127 VanDerWaalsContact CB-CZ 3.49Å; H85-Y127 WeakPolarHBondContact CB-OH 3.31Å; H85-Y127 AromaticContact CD2-CE1 3.83Å; R93-Y127 PolarHBondContact NH1-O 3.06Å; L103-Y127 HydrophobicContact CB-CD1 4.35Å; K104-Y127 CarbonylContact O-C 3.59Å; K104-Y127 WeakPolarHBondContact O-CA 3.36Å; P105-Y127 HydrophobicContact CB-CD1 4.37Å; P105-Y127 HydrophobicContact CB-CE1 4.28Å; C121-Y127 PolarHBondContact O-OH 3.24Å; N123-Y127 WeakPolarHBondContact O-CD2 3.12Å; Y125-Y127 VanDerWaalsContact C-N 3.28Å
128K95.2Very high92.8Very high113 Ų11352.9 Ų52.949%0.49128%0.275SS..EExtended strand (participates in β ladder)trans-116.8146.6165.660.3-179.9178-177.20109.1L103 K104 L106L103-K128 WeakPolarHBondContact CA-O 3.24Å; K104-K128 HydrophobicContact CB-CG 4.09Å; K104-K128 PolarHBondContact N-O 2.83Å; K104-K128 PolarHBondContact O-N 3.39Å; L106-K128 HydrophobicContact CD2-CB 3.95Å; L106-K128 HydrophobicContact CD2-CD 3.86Å; L106-K128 HydrophobicContact CD2-CG 3.91Å
129R94.1Very high92.7Very high65 Ų6548.7 Ų48.725%0.24526%0.261CS..EExtended strand (participates in β ladder)trans-71.9143.9171.8-162.3170.7-172.51740108.7W94 D96 E102 E131W94-R129 HydrophobicContact CD2-CB 4.29Å; W94-R129 HydrophobicContact CH2-CB 3.89Å; W94-R129 VanDerWaalsContact CH2-N 3.29Å; W94-R129 HydrophobicContact CZ2-CB 3.61Å; W94-R129 HydrophobicContact CZ3-CB 4.37Å; D96-R129 VanDerWaalsContact CG-NH1 3.27Å; D96-R129 IonicContact OD1-CZ 3.26Å; D96-R129 IonicContact OD1-NH1 3.73Å; D96-R129 PolarHBondContact OD1-NH1 3.32Å; D96-R129 IonicContact OD1-NH2 2.87Å; D96-R129 IonicContact OD2-CZ 3.71Å; D96-R129 IonicContact OD2-NH1 3.93Å; D96-R129 PolarHBondContact OD2-NH1 3.36Å; D96-R129 IonicContact OD2-NH2 2.67Å; D96-R129 PolarHBondContact OD2-NH2 2.99Å; E102-R129 CarbonylContact O-C 3.53Å; E102-R129 VanDerWaalsContact O-CA 3.24Å; E102-R129 WeakPolarHBondContact O-CA 3.31Å; E102-R129 WeakPolarHBondContact O-CG 3.45Å; E102-R129 IonicContact OE2-CZ 2.74Å; E102-R129 IonicContact OE2-NE 3.97Å; E102-R129 PolarHBondContact OE2-NE 3.37Å; E102-R129 IonicContact OE2-NH2 2.79Å; E102-R129 PolarHBondContact OE2-NH2 3.04Å; R129-E131 PolarHBondContact O-N 2.86Å
130V92.6Very high92.3Very high30 Ų3046 Ų4618%0.18225%0.249CC..PPolyproline II helixtrans-73.9119.1171.6-179.20000107.8E102 K104 V339E102-V130 PolarHBondContact O-N 2.85Å; K104-V130 HydrophobicContact CD-CG2 3.92Å; K104-V130 HydrophobicContact CG-CG2 3.76Å; V130-V339 HydrophobicContact CB-CG1 3.66Å; V130-V339 HydrophobicContact CG1-CG1 3.77Å; V130-V339 HydrophobicContact CG2-CG1 4.19Å
131E85.7Confident91.7Very high168 Ų16847.7 Ų47.779%0.78526%0.26SS*.PPolyproline II helixtrans-91.4143.2176.7-67.6172.9-171.700109.9R129R129-E131 PolarHBondContact O-N 2.86Å
132S82.3Confident90.4Very high62 Ų6254.6 Ų54.643%0.43429%0.285SS..PPolyproline II helixtrans-73126.3170.8-65.90000109.4G341S132-G341 PolarHBondContact OG-N 2.92Å
133P83.4Confident88.8Confident47 Ų4761.5 Ų61.531%0.30532%0.318SS..PPolyproline II helixtrans-64.3141.7176.427.7-32.5000109.8L135 G340 Q386P133-L135 PolarHBondContact O-N 2.98Å; P133-G340 WeakPolarHBondContact CD-O 3.26Å; P133-Q386 VanDerWaalsContact CB-NE2 3.25Å; P133-Q386 HydrophobicContact CG-CG 3.94Å
134V86.6Confident86.9Confident147 Ų14764.4 Ų64.489%0.89134%0.338SS*.PPolyproline II helixtrans-68119.2171.8-178.50000108.2
135L90.3Very high84.8Confident22 Ų2273.6 Ų73.612%0.11538%0.381CS..PPolyproline II helixtrans-82.9134.5179.7-59.9171.7000109.9P133 Y265 N385 Q386 A389 W446P133-L135 PolarHBondContact O-N 2.98Å; L135-Y265 HydrophobicContact CD1-CD1 4.01Å; L135-Y265 HydrophobicContact CD1-CD2 4.15Å; L135-Y265 HydrophobicContact CD1-CE1 4.37Å; L135-Y265 HydrophobicContact CD1-CE2 4.47Å; L135-Y265 HydrophobicContact CD1-CG 3.86Å; L135-N385 HydrophobicContact CD1-CB 3.84Å; L135-N385 HydrophobicContact CD2-CB 4.48Å; L135-Q386 HydrophobicContact CD2-CB 4.3Å; L135-Q386 HydrophobicContact CD2-CG 3.69Å; L135-A389 HydrophobicContact CD2-CB 4.42Å; L135-W446 HydrophobicContact CB-CH2 3.7Å; L135-W446 HydrophobicContact CB-CZ3 4.14Å; L135-W446 HydrophobicContact CD1-CH2 4.14Å; L135-W446 HydrophobicContact CD1-CZ3 3.68Å; L135-W446 HydrophobicContact CG-CH2 4.48Å; L135-W446 HydrophobicContact CG-CZ3 4.45Å
136P89.6Confident82.7Confident90 Ų9076.3 Ų76.358%0.58439%0.391SS*.PPolyproline II helixtrans-65.6143.8177.228.3-34.1000110.3W446P136-W446 VanDerWaalsContact O-CZ2 3.29Å; P136-W446 WeakPolarHBondContact O-CZ2 3.34Å
137P91.6Very high80.7Confident66 Ų6680.5 Ų80.543%0.42941%0.414SS..PPolyproline II helixtrans-64.6145176.528.2-34.4000110.9A262 V263 A264P137-A262 HydrophobicContact CB-CB 4.2Å; P137-A262 HydrophobicContact CG-CB 4.48Å; P137-V263 CarbonylContact C-O 3.48Å; P137-V263 WeakPolarHBondContact CA-O 3.35Å; P137-A264 HydrophobicContact CB-CB 4.47Å
138V91.5Very high78.7Confident2 Ų284.3 Ų84.31%0.01244%0.439CS..EExtended strand (participates in β ladder)trans-79.5131.8172.5173.40000108.7V140 V263 L392 A393 V396 W446 V450V138-V140 HydrophobicContact CG1-CG2 4.35Å; V138-V263 PolarHBondContact N-O 2.87Å; V138-V263 PolarHBondContact O-N 3.32Å; V138-L392 HydrophobicContact CG1-CG 4.42Å; V138-L392 HydrophobicContact CG2-CB 4.4Å; V138-L392 HydrophobicContact CG2-CD2 3.92Å; V138-L392 HydrophobicContact CG2-CG 3.88Å; V138-A393 HydrophobicContact CG2-CB 4.37Å; V138-V396 HydrophobicContact CG1-CG2 3.67Å; V138-W446 HydrophobicContact CG2-CH2 4.44Å; V138-W446 HydrophobicContact CG2-CZ2 3.69Å; V138-V450 HydrophobicContact CB-CG2 3.96Å; V138-V450 HydrophobicContact CG1-CG1 4.38Å; V138-V450 HydrophobicContact CG1-CG2 3.8Å
139L91.2Very high76.5Confident101 Ų10186.9 Ų86.953%0.52945%0.453SS..EExtended strand (participates in β ladder)trans-96.9114.1-178.3-71.5-168.2000109.5V260 A262L139-V260 HydrophobicContact CB-CG1 3.48Å; L139-V260 VanDerWaalsContact CB-CG1 3.48Å; L139-V260 HydrophobicContact CD1-CG1 4.33Å; L139-V260 HydrophobicContact CD2-CG1 3.92Å; L139-V260 HydrophobicContact CG-CG1 4.08Å; L139-A262 HydrophobicContact CD2-CB 3.88Å
140V88.7Confident74.6Confident2 Ų290.1 Ų90.11%0.01247%0.471CS..EExtended strand (participates in β ladder)trans-104.3116.2-179.1-172.40000110.4V138 R142 V260 Q261 V263 V396 V450 Q453 M454V138-V140 HydrophobicContact CG1-CG2 4.35Å; V140-R142 PolarHBondContact O-N 3.03Å; V140-V260 CarbonylContact O-C 3.6Å; V140-V260 WeakPolarHBondContact O-CA 3.5Å; V140-Q261 PolarHBondContact N-O 3.41Å; V140-Q261 PolarHBondContact O-N 3Å; V140-V263 HydrophobicContact CG2-CG2 4.03Å; V140-V396 HydrophobicContact CG1-CG1 4.33Å; V140-V396 HydrophobicContact CG2-CG1 4.47Å; V140-V450 HydrophobicContact CG2-CB 4.46Å; V140-V450 HydrophobicContact CG2-CG1 3.9Å; V140-V450 HydrophobicContact CG2-CG2 4.38Å; V140-Q453 HydrophobicContact CB-CB 4.09Å; V140-Q453 HydrophobicContact CG1-CB 3.81Å; V140-Q453 HydrophobicContact CG2-CB 4.26Å; V140-M454 HydrophobicContact CG1-CG 3.66Å
141P81.9Confident72.4Confident36 Ų3690.2 Ų90.223%0.23447%0.473CS..EExtended strand (participates in β ladder)trans-63.8130.1173.6-19.832.3000111.1H143P141-H143 VanDerWaalsContact C-N 3.25Å; P141-H143 PolarHBondContact O-N 3.46Å
142R71.9Confident70.9Confident144 Ų14484 Ų8454%0.54344%0.444SS..SBendtrans-72.5-19.8176.6-70-173.3175.91710.6113V140 D259V140-R142 PolarHBondContact O-N 3.03Å; R142-D259 PolarHBondContact N-O 2.91Å
143H63.6Low69.4Low146 Ų14682.5 Ų82.568%0.67643%0.431SS*.SBendtrans-126.7102.2175.1-62.5-61.2000108.8P141 E145P141-H143 VanDerWaalsContact C-N 3.25Å; P141-H143 PolarHBondContact O-N 3.46Å; H143-E145 PolarHBondContact O-N 3.42Å
144S56.5Low67.6Low60 Ų6082.1 Ų82.142%0.4243%0.433SS..  trans-9088.9177.5-620000109.3Y146S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-Y146 PolarHBondContact O-N 3.17Å; S144-Y146 VanDerWaalsContact O-N 3.12Å
145E53.7Low65.9Low193 Ų19381.2 Ų81.290%0.90242%0.418SS*.  trans-7395.7157.1-70.8-172.7174.600107H143 N147H143-E145 PolarHBondContact O-N 3.42Å; E145-N147 PolarHBondContact O-N 2.9Å
146Y52.7Low64.2Low100 Ų10083.6 Ų83.639%0.39243%0.428SS..  trans-61121.2179.7178.8-100.9000110S144 P148S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-Y146 PolarHBondContact O-N 3.17Å; S144-Y146 VanDerWaalsContact O-N 3.12Å; Y146-P148 HydrophobicContact CD1-CB 4.22Å; Y146-P148 HydrophobicContact CD1-CG 3.76Å; Y146-P148 HydrophobicContact CE1-CB 3.64Å; Y146-P148 HydrophobicContact CE1-CG 3.68Å; Y146-P148 WeakPolarHBondContact O-CD 3.48Å
147N53.6Low62.2Low91 Ų9188.1 Ų88.149%0.48743%0.433SS..  trans-96.2106.9166.7-170.5-3.4000109.2E145 Q149E145-N147 PolarHBondContact O-N 2.9Å; N147-Q149 PolarHBondContact O-N 2.9Å; N147-Q149 PolarHBondContact OD1-N 3.17Å
148P55.2Low59.9Low85 Ų8590.7 Ų90.755%0.55244%0.444SS*.G310 helixtrans-61.8-16.6-175.7-18.428.8000114.7Y146 H150Y146-P148 HydrophobicContact CD1-CB 4.22Å; Y146-P148 HydrophobicContact CD1-CG 3.76Å; Y146-P148 HydrophobicContact CE1-CB 3.64Å; Y146-P148 HydrophobicContact CE1-CG 3.68Å; Y146-P148 WeakPolarHBondContact O-CD 3.48Å; P148-H150 VanDerWaalsContact C-N 3.32Å; P148-H150 PolarHBondContact O-N 3.46Å
149Q50.8Low57.7Low167 Ų16793.8 Ų93.878%0.7846%0.46SS*.G310 helixtrans-79.5-8.3-167.5-62.4-171.6-12.500114.7N147N147-Q149 PolarHBondContact O-N 2.9Å; N147-Q149 PolarHBondContact OD1-N 3.17Å
150H53.3Low55.1Low134 Ų13491.5 Ų91.562%0.6246%0.461SS*.G310 helixtrans-109.213.2-171.9-89.1-78.7000115.8P148 L152 H398P148-H150 VanDerWaalsContact C-N 3.32Å; P148-H150 PolarHBondContact O-N 3.46Å; H150-L152 PolarHBondContact O-N 3.4Å; H150-H398 PolarHBondContact O-CD2 3.09Å; H150-H398 PolarHBondContact O-NE2 2.64Å
151S47Very low53Low32 Ų32100.5 Ų100.522%0.22450%0.503CS..  trans-58.5110.2-170.6-1540000114.4L153 A154S151-L153 PolarHBondContact O-N 3.05Å; S151-L153 VanDerWaalsContact O-N 3.08Å; S151-L153 WeakPolarHBondContact OG-CB 3.4Å; S151-L153 WeakPolarHBondContact OG-CD1 3.38Å; S151-L153 VanDerWaalsContact OG-CG 3.32Å; S151-L153 WeakPolarHBondContact OG-CG 3.29Å; S151-L153 PolarHBondContact OG-N 3.35Å; S151-A154 VanDerWaalsContact O-CB 3.23Å; S151-A154 WeakPolarHBondContact O-CB 3.33Å; S151-A154 PolarHBondContact O-N 3Å
152L54.1Low51.5Low37 Ų37106.9 Ų106.919%0.19454%0.535CS..THydrogen-bonded Turntrans-59.3-9.2159.8-77.5177.6000112.3H150 A154 Q155 F156 Q394H150-L152 PolarHBondContact O-N 3.4Å; L152-A154 PolarHBondContact O-N 3.25Å; L152-A154 VanDerWaalsContact O-N 3.09Å; L152-Q155 PolarHBondContact O-N 3.29Å; L152-F156 WeakPolarHBondContact O-CD2 3.32Å; L152-F156 PolarHBondContact O-N 3.08Å; L152-Q394 HydrophobicContact CD1-CB 4.4Å
153L50.1Low50.7Low30 Ų30104.8 Ų104.816%0.15753%0.531CS..Hα-helixtrans-56.9-19.1163.2-65.4167.1000111.1S151 Q155 F156 R157S151-L153 PolarHBondContact O-N 3.05Å; S151-L153 VanDerWaalsContact O-N 3.08Å; S151-L153 WeakPolarHBondContact OG-CB 3.4Å; S151-L153 WeakPolarHBondContact OG-CD1 3.38Å; S151-L153 VanDerWaalsContact OG-CG 3.32Å; S151-L153 WeakPolarHBondContact OG-CG 3.29Å; S151-L153 PolarHBondContact OG-N 3.35Å; L153-Q155 VanDerWaalsContact C-N 3.34Å; L153-Q155 PolarHBondContact O-N 2.83Å; L153-F156 CarbonylContact O-C 3.57Å; L153-F156 PolarHBondContact O-N 2.86Å; L153-R157 WeakPolarHBondContact O-CA 3.34Å; L153-R157 WeakPolarHBondContact O-CB 3.5Å; L153-R157 PolarHBondContact O-N 2.89Å
154A44.8Very low50.3Low40 Ų40101.7 Ų101.733%0.33152%0.524SS..Hα-helixtrans-56.6-44.3164.700000112S151 L152 N158S151-A154 VanDerWaalsContact O-CB 3.23Å; S151-A154 WeakPolarHBondContact O-CB 3.33Å; S151-A154 PolarHBondContact O-N 3Å; L152-A154 PolarHBondContact O-N 3.25Å; L152-A154 VanDerWaalsContact O-N 3.09Å; A154-N158 WeakPolarHBondContact CA-ND2 3.12Å; A154-N158 WeakPolarHBondContact CB-ND2 3.48Å; A154-N158 VanDerWaalsContact O-CA 3.23Å; A154-N158 WeakPolarHBondContact O-CA 3.49Å; A154-N158 WeakPolarHBondContact O-CB 2.99Å; A154-N158 PolarHBondContact O-N 2.9Å; A154-N158 PolarHBondContact O-ND2 3.37Å
155Q52.7Low50.8Low127 Ų127108.9 Ų108.959%0.59355%0.551SS**Hα-helixtrans-75.5-26.3177.3-74.5176.7-1500113L152 L153L152-Q155 PolarHBondContact O-N 3.29Å; L153-Q155 VanDerWaalsContact C-N 3.34Å; L153-Q155 PolarHBondContact O-N 2.83Å
156F52.8Low51.9Low72 Ų72101.7 Ų101.732%0.31652%0.518SS..Hα-helixtrans-92-14177.5-65.4-71.3000114.9L152 L153 Y362 P368L152-F156 WeakPolarHBondContact O-CD2 3.32Å; L152-F156 PolarHBondContact O-N 3.08Å; L153-F156 CarbonylContact O-C 3.57Å; L153-F156 PolarHBondContact O-N 2.86Å; F156-Y362 HydrophobicContact CZ-CD2 4.46Å; F156-P368 HydrophobicContact CD1-CG 4.22Å; F156-P368 HydrophobicContact CE1-CG 4.49Å
157R49.2Very low53.3Low185 Ų18597.4 Ų97.470%0.69850%0.502SS*.Hα-helixtrans-118.2-22.9176.2-73.8-177.8160163.5-3.2114L153 L159 G160L153-R157 WeakPolarHBondContact O-CA 3.34Å; L153-R157 WeakPolarHBondContact O-CB 3.5Å; L153-R157 PolarHBondContact O-N 2.89Å; R157-L159 PolarHBondContact O-N 3.29Å; R157-G160 PolarHBondContact O-N 3.29Å
158N42.7Very low55Low121 Ų12199 Ų9965%0.64751%0.51SS*.  trans-82.533.6-177.6-64.3-25.7000114.7A154 G160A154-N158 WeakPolarHBondContact CA-ND2 3.12Å; A154-N158 WeakPolarHBondContact CB-ND2 3.48Å; A154-N158 VanDerWaalsContact O-CA 3.23Å; A154-N158 WeakPolarHBondContact O-CA 3.49Å; A154-N158 WeakPolarHBondContact O-CB 2.99Å; A154-N158 PolarHBondContact O-N 2.9Å; A154-N158 PolarHBondContact O-ND2 3.37Å; N158-G160 PolarHBondContact O-N 3.3Å
159L45.9Very low56.7Low66 Ų6695.8 Ų95.835%0.34649%0.488SS..  trans-85.722148.8-70.2122000110.7R157 E163 H367R157-L159 PolarHBondContact O-N 3.29Å; L159-E163 HydrophobicContact CB-CB 4.37Å; L159-E163 HydrophobicContact CB-CG 3.97Å; L159-E163 HydrophobicContact CD2-CG 3.51Å; L159-E163 WeakPolarHBondContact CD2-OE2 3.18Å; L159-E163 HydrophobicContact CG-CG 4.3Å; L159-H367 VanDerWaalsContact CD1-CD2 3.46Å; L159-H367 WeakPolarHBondContact CD1-CD2 3.29Å
160G36.7Very low58.6Low54 Ų5487.9 Ų87.956%0.55745%0.451SS*.THydrogen-bonded Turntrans-76.1127.2175.100000113.2R157 N158R157-G160 PolarHBondContact O-N 3.29Å; N158-G160 PolarHBondContact O-N 3.3Å
161Q43.9Very low60.4Low191 Ų19183.2 Ų83.289%0.89343%0.432SS*.THydrogen-bonded Turntrans101.7-3.6160.3-57.4-170.5-0.600119.8
162N50.7Low62.4Low170 Ų17084 Ų8491%0.90943%0.432SS*.THydrogen-bonded Turntrans-156.114.8165.3-99.9-29.6000116.1
163E54.2Low63.9Low100 Ų10085.7 Ų85.747%0.46745%0.445SS..  trans-84143179.7-89.6-91.8121.900112.4L159L159-E163 HydrophobicContact CB-CB 4.37Å; L159-E163 HydrophobicContact CB-CG 3.97Å; L159-E163 HydrophobicContact CD2-CG 3.51Å; L159-E163 WeakPolarHBondContact CD2-OE2 3.18Å; L159-E163 HydrophobicContact CG-CG 4.3Å
164P55.5Low65.7Low80 Ų8090 Ų9052%0.51947%0.468SS..  trans-55.2145.1173.423.2-31.6000110.4M166P164-M166 PolarHBondContact O-N 3.42Å
165H67.6Low67.6Low212 Ų21290.4 Ų90.498%0.98147%0.469SS*.SBendtrans-52.2-16.2-179.6-96.2-77.4000114.5
166M77.4Confident69.1Low42 Ų4285.6 Ų85.621%0.20745%0.446CS..SBendtrans-146.9135.4174.1-149.2160.961.400110.9P164 G421 A422 Q427P164-M166 PolarHBondContact O-N 3.42Å; M166-G421 VanDerWaalsContact CE-CA 3.49Å; M166-G421 VanDerWaalsContact CE-O 3.29Å; M166-G421 WeakPolarHBondContact CE-O 3.28Å; M166-A422 HydrophobicContact CB-CB 4.16Å; M166-A422 HydrophobicContact CE-CB 4.11Å; M166-A422 HydrophobicContact CG-CB 4.49Å; M166-A422 WeakPolarHBondContact O-CB 3.44Å; M166-Q427 HydrophobicContact CE-CB 4.24Å; M166-Q427 HydrophobicContact CE-CG 4.33Å; M166-Q427 HydrophobicContact SD-CB 4.02Å
167P82.2Confident70Confident10 Ų1090.1 Ų90.17%0.06547%0.468CS..PPolyproline II helixtrans-74.8150.5-175.934.3-42000112.5H367 T369 A422P167-H367 HydrophobicContact CB-CB 3.31Å; P167-H367 VanDerWaalsContact CB-CG 3.5Å; P167-H367 HydrophobicContact CG-CB 3.81Å; P167-H367 WeakPolarHBondContact CG-ND1 3.39Å; P167-T369 VanDerWaalsContact CG-OG1 3.25Å; P167-T369 WeakPolarHBondContact CG-OG1 3.48Å; P167-A422 VanDerWaalsContact C-CB 3.48Å; P167-A422 WeakPolarHBondContact O-CB 3.38Å
168L89.3Confident70.2Confident125 Ų12589.2 Ų89.265%0.65447%0.472SS*.PPolyproline II helixtrans-54.4143.4175.2-70.6163.7000111.9T370L168-T370 WeakPolarHBondContact O-CG2 3.43Å; L168-T370 PolarHBondContact O-OG1 3.47Å; L168-T370 VanDerWaalsContact O-OG1 3.09Å
169N90.5Very high70.2Confident16 Ų1689.6 Ų89.69%0.08648%0.481CS..PPolyproline II helixtrans-79.7160.5173.7-71.3-27.5000110.1V371 W420 G421 A422 E423 Y424N169-V371 WeakPolarHBondContact CA-O 3.31Å; N169-V371 WeakPolarHBondContact CB-O 3.46Å; N169-V371 WeakPolarHBondContact OD1-CB 3.36Å; N169-W420 PolarHBondContact ND2-O 3.34Å; N169-G421 VanDerWaalsContact ND2-C 3.34Å; N169-A422 PolarHBondContact ND2-N 2.85Å; N169-A422 PolarHBondContact OD1-N 3.02Å; N169-E423 HydrophobicContact CB-CG 4.44Å; N169-Y424 WeakPolarHBondContact ND2-CD2 3.36Å; N169-Y424 WeakPolarHBondContact ND2-CE2 3.39Å
170A90.4Very high69.8Low2 Ų293 Ų932%0.01750%0.499CS..EExtended strand (participates in β ladder)trans-115146.4175.700000110F176 F366 T370 V371 C372 K373A170-F176 HydrophobicContact CB-CE2 4.13Å; A170-F176 HydrophobicContact CB-CZ 4.47Å; A170-F366 HydrophobicContact CB-CD2 4.1Å; A170-F366 HydrophobicContact CB-CE2 3.68Å; A170-F366 HydrophobicContact CB-CZ 3.99Å; A170-T370 HydrophobicContact CB-CG2 3.97Å; A170-V371 PolarHBondContact N-O 2.89Å; A170-C372 CarbonylContact O-C 3.48Å; A170-C372 VanDerWaalsContact O-CA 3.31Å; A170-C372 WeakPolarHBondContact O-CA 3.37Å; A170-K373 PolarHBondContact O-N 3.37Å
171T90.7Very high69.6Low36 Ų3695.8 Ų95.822%0.22151%0.51CS..EExtended strand (participates in β ladder)trans-119.5124.7172.3-64.70000109.6P173 D174 S175 K373T171-P173 CarbonylContact O-C 3.55Å; T171-D174 PolarHBondContact O-N 3.45Å; T171-S175 PolarHBondContact N-OG 3.34Å; T171-S175 PolarHBondContact O-N 2.96Å; T171-S175 PolarHBondContact O-OG 3.13Å; T171-K373 HydrophobicContact CG2-CB 4.4Å; T171-K373 HydrophobicContact CG2-CD 4.17Å
172F88.2Confident69.2Low48 Ų4895 Ų9521%0.21151%0.506CS..THydrogen-bonded Turntrans-81.3137.5174.9-170.7-88.7000110.5F176 K373 P375 C378 L380F172-F176 HydrophobicContact CB-CD2 3.86Å; F172-F176 HydrophobicContact CB-CE2 3.67Å; F172-F176 HydrophobicContact CB-CZ 4.36Å; F172-F176 HydrophobicContact CD2-CB 3.89Å; F172-F176 AromaticContact CD2-CD1 3.75Å; F172-F176 HydrophobicContact CD2-CD1 3.75Å; F172-F176 AromaticContact CD2-CD2 3.47Å; F172-F176 HydrophobicContact CD2-CD2 3.47Å; F172-F176 VanDerWaalsContact CD2-CD2 3.47Å; F172-F176 HydrophobicContact CD2-CE1 4.12Å; F172-F176 AromaticContact CD2-CE2 3.83Å; F172-F176 HydrophobicContact CD2-CE2 3.83Å; F172-F176 AromaticContact CD2-CG 3.42Å; F172-F176 HydrophobicContact CD2-CG 3.42Å; F172-F176 VanDerWaalsContact CD2-CG 3.42Å; F172-F176 HydrophobicContact CD2-CZ 4.14Å; F172-F176 HydrophobicContact CE2-CB 4.02Å; F172-F176 HydrophobicContact CE2-CD1 4.17Å; F172-F176 HydrophobicContact CE2-CD2 4.42Å; F172-F176 AromaticContact CE2-CG 3.96Å; F172-F176 HydrophobicContact CE2-CG 3.96Å; F172-F176 HydrophobicContact CG-CD2 4.09Å; F172-F176 HydrophobicContact CG-CE2 4.26Å; F172-F176 HydrophobicContact CG-CG 4.44Å; F172-K373 WeakPolarHBondContact CB-O 3.26Å; F172-K373 PolarHBondContact N-O 3.1Å; F172-P375 WeakPolarHBondContact O-CD 3.45Å; F172-P375 VanDerWaalsContact O-CG 3.26Å; F172-P375 WeakPolarHBondContact O-CG 3.23Å; F172-C378 HydrophobicContact CD1-CB 4.01Å; F172-C378 HydrophobicContact CE1-CB 4.36Å; F172-L380 HydrophobicContact CD2-CD1 3.7Å; F172-L380 HydrophobicContact CE2-CD1 3.85Å
173P86Confident68.5Low72 Ų7292.8 Ų92.847%0.46850%0.501SS..THydrogen-bonded Turncis-89.9-4.1-0.435.6-34.7000114.7T171 S175 F176T171-P173 CarbonylContact O-C 3.55Å; P173-S175 VanDerWaalsContact C-N 3.35Å; P173-S175 PolarHBondContact O-N 2.96Å; P173-F176 PolarHBondContact O-N 3.35Å
174D88.1Confident67.7Low120 Ų12096.8 Ų96.864%0.64252%0.517SS*.THydrogen-bonded Turntrans-58-40.7-167.8-59.3-35.5000113.9T171 F176T171-D174 PolarHBondContact O-N 3.45Å; D174-F176 VanDerWaalsContact C-N 3.34Å
175S84.7Confident66.8Low50 Ų5098.3 Ų98.335%0.3553%0.528SS..THydrogen-bonded Turntrans-82-8.6179.8-51.80000113.9T171 P173 Q177 F366T171-S175 PolarHBondContact N-OG 3.34Å; T171-S175 PolarHBondContact O-N 2.96Å; T171-S175 PolarHBondContact O-OG 3.13Å; P173-S175 VanDerWaalsContact C-N 3.35Å; P173-S175 PolarHBondContact O-N 2.96Å; S175-Q177 PolarHBondContact O-N 3.21Å; S175-F366 WeakPolarHBondContact O-CZ 3.46Å
176F85Confident65.5Low25 Ų2596.6 Ų96.611%0.1152%0.52CS..  trans-101.834.9-165.6-70.5-104.6000113.1A170 F172 P173 D174 Q178 H364 F366 C372 L380A170-F176 HydrophobicContact CB-CE2 4.13Å; A170-F176 HydrophobicContact CB-CZ 4.47Å; F172-F176 HydrophobicContact CB-CD2 3.86Å; F172-F176 HydrophobicContact CB-CE2 3.67Å; F172-F176 HydrophobicContact CB-CZ 4.36Å; F172-F176 HydrophobicContact CD2-CB 3.89Å; F172-F176 AromaticContact CD2-CD1 3.75Å; F172-F176 HydrophobicContact CD2-CD1 3.75Å; F172-F176 AromaticContact CD2-CD2 3.47Å; F172-F176 HydrophobicContact CD2-CD2 3.47Å; F172-F176 VanDerWaalsContact CD2-CD2 3.47Å; F172-F176 HydrophobicContact CD2-CE1 4.12Å; F172-F176 AromaticContact CD2-CE2 3.83Å; F172-F176 HydrophobicContact CD2-CE2 3.83Å; F172-F176 AromaticContact CD2-CG 3.42Å; F172-F176 HydrophobicContact CD2-CG 3.42Å; F172-F176 VanDerWaalsContact CD2-CG 3.42Å; F172-F176 HydrophobicContact CD2-CZ 4.14Å; F172-F176 HydrophobicContact CE2-CB 4.02Å; F172-F176 HydrophobicContact CE2-CD1 4.17Å; F172-F176 HydrophobicContact CE2-CD2 4.42Å; F172-F176 AromaticContact CE2-CG 3.96Å; F172-F176 HydrophobicContact CE2-CG 3.96Å; F172-F176 HydrophobicContact CG-CD2 4.09Å; F172-F176 HydrophobicContact CG-CE2 4.26Å; F172-F176 HydrophobicContact CG-CG 4.44Å; P173-F176 PolarHBondContact O-N 3.35Å; D174-F176 VanDerWaalsContact C-N 3.34Å; F176-Q178 PolarHBondContact O-N 3.08Å; F176-H364 AromaticContact CD1-CD2 3.58Å; F176-H364 AromaticContact CD1-CE1 3.62Å; F176-H364 AromaticContact CD1-CG 3.94Å; F176-H364 AromaticContact CD1-ND1 3.96Å; F176-H364 AromaticContact CD1-NE2 3.38Å; F176-H364 WeakPolarHBondContact CD1-NE2 3.33Å; F176-H364 AromaticContact CE1-CE1 3.69Å; F176-H364 AromaticContact CE1-ND1 3.8Å; F176-H364 AromaticContact CE1-NE2 3.95Å; F176-F366 HydrophobicContact CD1-CE2 4.46Å; F176-F366 HydrophobicContact CE1-CE2 4.02Å; F176-F366 HydrophobicContact CE2-CE2 4.32Å; F176-F366 AromaticContact CZ-CE2 3.96Å; F176-F366 HydrophobicContact CZ-CE2 3.96Å; F176-C372 HydrophobicContact CZ-CB 3.97Å; F176-L380 HydrophobicContact CD1-CD1 3.87Å; F176-L380 HydrophobicContact CE1-CD1 3.44Å; F176-L380 VanDerWaalsContact CE1-CD1 3.44Å; F176-L380 HydrophobicContact CE1-CD2 4.03Å; F176-L380 HydrophobicContact CE1-CG 4.4Å; F176-L380 HydrophobicContact CZ-CD1 4.04Å; F176-L380 HydrophobicContact CZ-CD2 3.88Å
177Q72Confident63.8Low167 Ų16799.8 Ų99.878%0.7855%0.546SS*.  trans-71.5127.6176.7-65.3-176.4-10.700110S175S175-Q177 PolarHBondContact O-N 3.21Å
178Q53.5Low61.6Low167 Ų167105 Ų10578%0.7858%0.58SS**  trans-60.9139.1172.7-79-171.4-17.500109.8F176 N180F176-Q178 PolarHBondContact O-N 3.08Å; Q178-N180 VanDerWaalsContact C-N 3.26Å; Q178-N180 PolarHBondContact O-N 3.45Å
179P41.7Very low59.3Low128 Ų128106.5 Ų106.583%0.83159%0.589SS**  trans-73.787.616330.2-28.2000107.3
180N37.3Very low56.9Low138 Ų138110 Ų11074%0.73861%0.614SS**  trans-154.5128.7164.1-108.7-17.9000114.5Q178Q178-N180 VanDerWaalsContact C-N 3.26Å; Q178-N180 PolarHBondContact O-N 3.45Å
181S32.7Very low54.4Low113 Ų113114.7 Ų114.779%0.7965%0.647SS**  trans84.3111.4172.469.90000118.3
182H34.8Very low52.2Low173 Ų173123.9 Ų123.980%0.80168%0.679SS**PPolyproline II helixtrans-46.4144.9174.3-58.2-83.6000114.3F184H182-F184 PolarHBondContact O-N 3Å
183P36.1Very low49.9Very low125 Ų125126.6 Ų126.681%0.81270%0.701SS**PPolyproline II helixtrans-79.8118.6173.130.9-28.6000110
184F37.8Very low47.7Very low183 Ų183130.4 Ų130.480%0.80372%0.718SS**PPolyproline II helixtrans-69.1131.7162.1-79.6-82.6000109.2H182 H186H182-F184 PolarHBondContact O-N 3Å; F184-H186 PolarHBondContact O-N 3.4Å
185P36.7Very low45.7Very low113 Ų113129.9 Ų129.973%0.73472%0.724SS**  trans-82.8115.6174.731.8-27.6000108.4
186H41.2Very low43.6Very low176 Ų176133.5 Ų133.582%0.81575%0.746SS**  trans-113.8128.7164.7-77.7-34.2000111.1F184F184-H186 PolarHBondContact O-N 3.4Å
187S40.4Very low41.5Very low108 Ų108136.2 Ų136.276%0.75578%0.781SS**  trans-58.6157.7-165.2-490000115.1
188P37Very low39.8Very low120 Ų120134 Ų13478%0.77978%0.784SS**  trans-84.7134.2-178.734.2-29.7000109.8
189N40.6Very low39.3Very low157 Ų157131.3 Ų131.384%0.8478%0.784SS**  trans-157.7145.3153.1-133.9-0.7000114.1
190S41Very low38.9Very low88 Ų88130.5 Ų130.562%0.61578%0.781SS**  trans87.973.3158.2-57.20000118.8
191S36.2Very low39.2Very low102 Ų102129.7 Ų129.771%0.71379%0.786SS**  24.9112.8109.7-22.80000118.8
192Y45Very low39.3Very low229 Ų229129.4 Ų129.490%0.89878%0.78SS**  trans-149.2129.9140-78.5-73.1000109.9
193P40.1Very low39.5Very low104 Ų104131.9 Ų131.968%0.67578%0.784SS**  trans-106167179.438.5-30.5000113.7
194N40.6Very low39.6Very low152 Ų152130.7 Ų130.781%0.81378%0.776SS**  trans77138.3159.3-62.9-13.9000116.6
195S44.9Very low39.4Very low110 Ų110130.6 Ų130.677%0.76978%0.778SS**  cis-164.9171.721.7-112.60000111.4
196P40.8Very low39.6Very low125 Ų125131 Ų13181%0.81278%0.783SS**  trans-101.8166.6-159.839.2-32.8000114.6
197G40.1Very low39.4Very low82 Ų82127.7 Ų127.785%0.84578%0.777SS**  trans-163106174.200000113.9
198S36.9Very low39.1Very low120 Ų120128.9 Ų128.984%0.83978%0.78SS**  trans-73150.1-178.2-54.10000115.1
199S42.5Very low39.3Very low112 Ų112129 Ų12978%0.78378%0.784SS**  trans-177.6102.7136.427.70000107.9
200S35.2Very low39.2Very low110 Ų110126.9 Ų126.977%0.76978%0.781SS**  64.898.785.7-178.50000113.6
201S42.3Very low39Very low121 Ų121130.5 Ų130.585%0.84679%0.794SS**  trans-158.3103.2138.628.50000110
202T34.9Very low39Very low108 Ų108131.3 Ų131.366%0.66380%0.796SS**  trans-52.2146.9164.2-20.10000111.6
203Y39.6Very low38.6Very low225 Ų225124.2 Ų124.288%0.88279%0.793SS**  -175.9149.4113.9-90.6-73000110.7
204P38.5Very low38.5Very low100 Ų100124.1 Ų124.165%0.64980%0.795SS**  trans-111.4171.5-147.341.8-35.6000116.4
205H33.9Very low38.2Very low180 Ų180122.2 Ų122.283%0.83379%0.791SS**  trans-11.8144.2162.8-55-73.3000120.7
206S40.2Very low38Very low122 Ų122126.1 Ų126.185%0.85379%0.794SS**  trans-141.7121.2145-65.40000109
207P36Very low37.7Very low106 Ų106129.3 Ų129.369%0.68880%0.799SS**  trans-101168.9175.940.2-32.2000111.6
208T34.8Very low38Very low134 Ų134133.4 Ų133.482%0.82280%0.798SS**  trans65.6112.5160.570.90000118.7
209S41.3Very low38.1Very low121 Ų121132.8 Ų132.885%0.84679%0.791SS**  trans-138106143.757.50000108.1
210S37.9Very low37.9Very low113 Ų113132.4 Ų132.479%0.7979%0.794SS**  trans-63.2138.2165-43.80000109.4
211D36.8Very low38.2Very low165 Ų165134.5 Ų134.588%0.88280%0.797SS**  trans-150.8140147.3-116.1-18.9000111.2
212P36.6Very low38.2Very low118 Ų118134.7 Ų134.777%0.76679%0.793SS**  trans-101.6159.3-16538.7-31.4000112.9
213G36Very low39.1Very low80 Ų80135 Ų13583%0.82580%0.797SS**  trans117.1100.215100000116.4
214S38.8Very low40Very low102 Ų102130 Ų13071%0.71379%0.792SS**  trans-159.6115.1142174.40000109.3
215P35Very low40.4Very low112 Ų112131.3 Ų131.373%0.72780%0.8SS**  trans-96.7106.6-179.934.2-24.5000110
216F40Very low40.7Very low192 Ų192127.6 Ų127.684%0.84280%0.801SS**  trans-143.985.9158.5-76.2-71.2000109.5
217Q34.4Very low40.9Very low193 Ų193132.8 Ų132.890%0.90280%0.803SS**  trans-79.2125.9154.8-82.2173.9-27.100107.5
218M46.5Very low41.4Very low168 Ų168135 Ų13583%0.82881%0.809SS**  trans-121.9143.5156.3-75.8-68-71.800107.8
219P39.2Very low42.2Very low107 Ų107134 Ų13470%0.69581%0.805SS**  trans-79.4151.6-163.3-5.624.7000111.9
220A37.4Very low43Very low103 Ų103134.2 Ų134.285%0.85180%0.803SS**  trans-69.6122.4168.500000110.3
221D42.2Very low43Very low154 Ų154138 Ų13882%0.82481%0.808SS**  trans-91.9112.3163.9-79.8-41.9000109.7
222T41.7Very low43.5Very low125 Ų125137.8 Ų137.877%0.76781%0.807SS**  trans21.9127.8145.619.50000121.1
223P53.3Low44Very low116 Ų116137.8 Ų137.875%0.75381%0.807SS**PPolyproline II helixtrans-83.9156.9165.835.7-30.9000111.7
224P59.5Low44.2Very low120 Ų120142.2 Ų142.278%0.77981%0.808SS**PPolyproline II helixtrans-76.8158169.931.4-31.1000111.9
225P46.7Very low44.6Very low126 Ų126144.6 Ų144.682%0.81882%0.819SS**PPolyproline II helixtrans-78.3153-166.8-5.323.2000113.6
226A40.7Very low44.8Very low103 Ų103147.7 Ų147.785%0.85182%0.824SS**PPolyproline II helixtrans-64.7131175.100000112.4
227Y44.7Very low44.8Very low230 Ų230146.8 Ų146.890%0.90283%0.828SS**PPolyproline II helixtrans-87.9121170.5-134-94.7000109.1
228L45.7Very low44.9Very low154 Ų154140.7 Ų140.781%0.80682%0.817SS**PPolyproline II helixtrans-80136.3169-70.8159.8000109.2
229P52.7Low44.7Very low112 Ų112137.7 Ų137.773%0.72781%0.812SS**PPolyproline II helixtrans-85.1142.1165.232.2-27.2000110.4
230P56.7Low45Very low126 Ų126141.2 Ų141.282%0.81882%0.82SS**PPolyproline II helixtrans-76.9146.8168.9-5.222.8000111.4
231E38.8Very low45.2Very low192 Ų192141.8 Ų141.890%0.89782%0.815SS**PPolyproline II helixtrans-74.3139.9174.6-56.5179.1115.900111.3
232D47.9Very low45.5Very low160 Ų160143.6 Ų143.686%0.85682%0.821SS**  trans-110.4139.4164-97.8-39.5000110.2
233P47.2Very low45.2Very low119 Ų119144.9 Ų144.977%0.77382%0.823SS**  trans-89.4152.3-171.73.317.3000113.6
234M39.9Very low44.7Very low172 Ų172145.2 Ų145.285%0.84782%0.823SS**  trans-55.8138.3170-65.1164.361.900113.6
235T45.5Very low43.7Very low153 Ų153145.8 Ų145.894%0.93982%0.819SS**  trans-141.6138.6145390000110.7
236Q40.7Very low43.5Very low177 Ų177147.3 Ų147.383%0.82782%0.817SS**  trans-122.6125.5-164.1176.4-173.451.700108
237D39.8Very low43.7Very low172 Ų172151.1 Ų151.192%0.9282%0.82SS**  trans176.6145.5154-121.4-12.9000107
238G37.1Very low43.2Very low65 Ų65145.1 Ų145.167%0.6782%0.817SS**  cis-172159.15.800000107.7
239S42.1Very low43.2Very low106 Ų106143.2 Ų143.274%0.74182%0.815SS**  trans-61.2149.6-173.148.50000117.6
240Q45.2Very low42.5Very low181 Ų181144 Ų14485%0.84682%0.819SS**  171.1146.5105.3-88.5-168.14.300113.5
241P41.6Very low41.4Very low115 Ų115145.1 Ų145.175%0.74782%0.818SS**  trans-102.2161.8174.938.8-30.2000112.5
242M48Very low41.4Very low192 Ų192142.2 Ų142.295%0.94682%0.816SS**  trans-164.6131.5146.8-83.7-122.8-146.400111
243D36.3Very low40.9Very low152 Ų152139.4 Ų139.481%0.81381%0.808SS**  trans-65.5157.2169.2-65.2-63.4000112
244T40.9Very low40.4Very low123 Ų123142.5 Ų142.576%0.75581%0.812SS**  153.1111.8128.4-64.20000112.3
245N40.4Very low40.7Very low132 Ų132142.1 Ų142.171%0.70681%0.812SS**  trans65.1131.5142.1-83.3-15.4000123.7
246M41.4Very low40.5Very low157 Ų157140.7 Ų140.777%0.77380%0.799SS**  trans75.798.1134.7-60.7-77.3157.300117.8
247M44.3Very low41Very low184 Ų184144 Ų14491%0.90680%0.804SS**  160.6122.5115.3-86-168.117800108.7P249M247-P249 WeakPolarHBondContact O-CD 3.47Å
248A35.5Very low41.8Very low103 Ų103138.2 Ų138.285%0.85178%0.784SS**PPolyproline II helixtrans-73.7131.3172.800000110.7
249P45.3Very low43.7Very low115 Ų115138.6 Ų138.675%0.74777%0.771SS**PPolyproline II helixtrans-96.3148.4155.46.314.3000110.4M247M247-P249 WeakPolarHBondContact O-CD 3.47Å
250P38.6Very low45.7Very low127 Ų127136.3 Ų136.383%0.82575%0.753SS**PPolyproline II helixtrans-75.7153.6178.431.5-32.1000112.6
251L33.1Very low47.7Very low151 Ų151130.7 Ų130.779%0.79173%0.727SS**PPolyproline II helixtrans-48141.9-179.5-66.6142.2000115S253L251-S253 PolarHBondContact O-N 3.22Å
252P38.6Very low50.1Low131 Ų131127.7 Ų127.785%0.85171%0.712SS**  trans-79.1104.6154.616.5-2.6000109.1
253S37.4Very low52.3Low100 Ų100119.1 Ų119.170%0.69967%0.67SS**  trans-99.267.5171.5-54.90000110.1L251L251-S253 PolarHBondContact O-N 3.22Å
254E37.8Very low55Low184 Ų184114.4 Ų114.486%0.8665%0.652SS**  trans-147.887.3165.1-73.1-154.5167.200110.1N256E254-N256 PolarHBondContact O-N 3.25Å
255I45.2Very low57.5Low165 Ų165110.4 Ų110.485%0.84662%0.623SS**  trans-75.5110.9158.1-65.1173.1000105.8R257I255-R257 PolarHBondContact O-N 3.42Å
256N42Very low59.9Low123 Ų123109.1 Ų109.166%0.65861%0.613SS**  trans-49.1104.6175.9-136.1-12.4000109.6E254 G258E254-N256 PolarHBondContact O-N 3.25Å; N256-G258 PolarHBondContact O-N 3.32Å
257R50.7Low62.3Low246 Ų246106.3 Ų106.393%0.92860%0.598SS**THydrogen-bonded Turntrans-67.12.1179.4-96.2-176.9174.8176.4-0.6113.7I255I255-R257 PolarHBondContact O-N 3.42Å
258G57.3Low64.6Low50 Ų5098.7 Ų98.752%0.51556%0.563SS.*THydrogen-bonded Turntrans-84.5-19.4-174.600000116.2N256N256-G258 PolarHBondContact O-N 3.32Å
259D76.2Confident67.2Low73 Ų73102.3 Ų102.339%0.3956%0.559SS.*SBendtrans-103.718.5-166.6-74.6-31.9000115.2R142R142-D259 PolarHBondContact N-O 2.91Å
260V83.6Confident69.5Low59 Ų5999 Ų9936%0.35853%0.533SS..EExtended strand (participates in β ladder)trans-127.6129.6-173.2-1740000111.1L139 V140L139-V260 HydrophobicContact CB-CG1 3.48Å; L139-V260 VanDerWaalsContact CB-CG1 3.48Å; L139-V260 HydrophobicContact CD1-CG1 4.33Å; L139-V260 HydrophobicContact CD2-CG1 3.92Å; L139-V260 HydrophobicContact CG-CG1 4.08Å; V140-V260 CarbonylContact O-C 3.6Å; V140-V260 WeakPolarHBondContact O-CA 3.5Å
261Q88.5Confident72.3Confident63 Ų6393.6 Ų93.629%0.29450%0.497SS..EExtended strand (participates in β ladder)trans-95.1121.9172.4-175.360.546.500110.2V140 Q453V140-Q261 PolarHBondContact N-O 3.41Å; V140-Q261 PolarHBondContact O-N 3Å; Q261-Q453 HydrophobicContact CG-CG 4.13Å
262A92Very high75.3Confident52 Ų5286.4 Ų86.443%0.4346%0.459SS..EExtended strand (participates in β ladder)trans-82.3128.3172.800000110.7P137 L139P137-A262 HydrophobicContact CB-CB 4.2Å; P137-A262 HydrophobicContact CG-CB 4.48Å; L139-A262 HydrophobicContact CD2-CB 3.88Å
263V92.8Very high78.2Confident11 Ų1180.9 Ų80.97%0.06742%0.423CS..EExtended strand (participates in β ladder)trans-117.9105.6178.2-177.10000109P137 V138 V140 W446 K449 V450 Q453P137-V263 CarbonylContact C-O 3.48Å; P137-V263 WeakPolarHBondContact CA-O 3.35Å; V138-V263 PolarHBondContact N-O 2.87Å; V138-V263 PolarHBondContact O-N 3.32Å; V140-V263 HydrophobicContact CG2-CG2 4.03Å; V263-W446 PolarHBondContact O-NE1 3.07Å; V263-K449 HydrophobicContact CG1-CB 3.49Å; V263-K449 VanDerWaalsContact CG1-CB 3.49Å; V263-K449 HydrophobicContact CG1-CD 4.3Å; V263-V450 HydrophobicContact CB-CG2 4.08Å; V263-V450 HydrophobicContact CG1-CG2 3.98Å; V263-V450 HydrophobicContact CG2-CG2 4.4Å; V263-Q453 HydrophobicContact CG2-CG 4Å
264A93.9Very high81.1Confident54 Ų5476.1 Ų76.145%0.44639%0.39SS..  trans-81.7150.8179.900000112.4P137P137-A264 HydrophobicContact CB-CB 4.47Å
265Y93.4Very high84Confident38 Ų3867.9 Ų67.915%0.14935%0.352CS..  trans-73.1139.6169.8-176-98.8000110.7L135 E267 N385 G442 W446L135-Y265 HydrophobicContact CD1-CD1 4.01Å; L135-Y265 HydrophobicContact CD1-CD2 4.15Å; L135-Y265 HydrophobicContact CD1-CE1 4.37Å; L135-Y265 HydrophobicContact CD1-CE2 4.47Å; L135-Y265 HydrophobicContact CD1-CG 3.86Å; Y265-E267 WeakPolarHBondContact CE1-OE2 3.11Å; Y265-N385 PolarHBondContact OH-ND2 2.89Å; Y265-G442 WeakPolarHBondContact OH-CA 3.08Å; Y265-W446 HydrophobicContact CD2-CB 3.92Å; Y265-W446 AromaticContact CD2-CD2 3.61Å; Y265-W446 HydrophobicContact CD2-CD2 3.61Å; Y265-W446 AromaticContact CD2-CE3 3.28Å; Y265-W446 HydrophobicContact CD2-CE3 3.28Å; Y265-W446 AromaticContact CD2-CG 3.94Å; Y265-W446 HydrophobicContact CD2-CG 3.94Å; Y265-W446 AromaticContact CD2-CZ3 3.88Å; Y265-W446 HydrophobicContact CD2-CZ3 3.88Å; Y265-W446 HydrophobicContact CE2-CB 4.46Å; Y265-W446 HydrophobicContact CE2-CE3 4.07Å; Y265-W446 HydrophobicContact CG-CD2 4.26Å; Y265-W446 HydrophobicContact CG-CE3 4.04Å; Y265-W446 HydrophobicContact CG-CZ3 4.29Å
266E91.4Very high86.5Confident105 Ų10560.1 Ų60.149%0.49131%0.312SS..  trans-129.8134.5173.8-77168.5-144.200109K449E266-K449 IonicContact OE1-NZ 3.14Å; E266-K449 PolarHBondContact OE1-NZ 3.29Å; E266-K449 IonicContact OE2-NZ 3.86Å; E266-K449 PolarHBondContact OE2-NZ 3.38Å
267E89.7Confident89.2Confident98 Ų9856.3 Ų56.346%0.45829%0.289SS..  trans-76123.9-179.8-159.375.3-139.300109.9Y265 Y338Y265-E267 WeakPolarHBondContact CE1-OE2 3.11Å; E267-Y338 WeakPolarHBondContact OE1-CE1 3.45Å; E267-Y338 VanDerWaalsContact OE1-CZ 3.23Å; E267-Y338 PolarHBondContact OE1-OH 2.84Å; E267-Y338 PolarHBondContact OE2-OH 2.87Å
268P93Very high91.5Very high25 Ų2544.6 Ų44.616%0.16225%0.245CC..  trans-75.7160.8179.933.8-39.9000111.8H270 H441P268-H270 VanDerWaalsContact C-N 3.29Å; P268-H270 WeakPolarHBondContact CB-O 3.19Å; P268-H270 WeakPolarHBondContact CG-O 3.38Å; P268-H270 PolarHBondContact O-N 3.09Å; P268-H441 HydrophobicContact CB-CB 4.06Å; P268-H441 HydrophobicContact CG-CB 3.86Å
269K90.9Very high93.4Very high178 Ų17844.5 Ų44.577%0.77423%0.232SC*.SBendtrans-59.7-38.6173.8179.4-178.1176.1-175.90112.9
270H94.5Very high94.4Very high45 Ų4546.4 Ų46.421%0.20824%0.243CC..SBendtrans-115.2126.5173.5-59.7-60.9000107.2P268 A289 S290 H441P268-H270 VanDerWaalsContact C-N 3.29Å; P268-H270 WeakPolarHBondContact CB-O 3.19Å; P268-H270 WeakPolarHBondContact CG-O 3.38Å; P268-H270 PolarHBondContact O-N 3.09Å; H270-A289 CarbonylContact C-O 3.51Å; H270-A289 WeakPolarHBondContact CA-O 3.4Å; H270-A289 WeakPolarHBondContact CB-O 3.38Å; H270-S290 PolarHBondContact CE1-OG 3.13Å; H270-S290 PolarHBondContact ND1-OG 3.46Å; H270-H441 VanDerWaalsContact O-CB 3.25Å; H270-H441 WeakPolarHBondContact O-CB 3.34Å; H270-H441 PolarHBondContact O-ND1 3.29Å
271W95.6Very high95.1Very high15 Ų1546.5 Ų46.56%0.05724%0.241CC..SBendtrans-79.1-26.3-177.466.8-90.5000111.8A289 S291 V294 L336 Y338 V343 L440 H441W271-A289 HydrophobicContact CD2-CB 4.41Å; W271-A289 HydrophobicContact CZ2-CB 4.05Å; W271-A289 PolarHBondContact N-O 3.08Å; W271-A289 VanDerWaalsContact N-O 3.15Å; W271-S291 PolarHBondContact NE1-O 2.99Å; W271-V294 HydrophobicContact CZ2-CG2 4.31Å; W271-L336 HydrophobicContact CH2-CB 4.14Å; W271-Y338 HydrophobicContact CB-CD1 4.22Å; W271-Y338 HydrophobicContact CD2-CG 4.33Å; W271-Y338 HydrophobicContact CE3-CG 4.35Å; W271-Y338 HydrophobicContact CG-CD1 4.35Å; W271-Y338 HydrophobicContact CG-CG 4.44Å; W271-V343 HydrophobicContact CE3-CG2 4.39Å; W271-V343 HydrophobicContact CH2-CG1 4.14Å; W271-V343 HydrophobicContact CZ3-CG1 3.8Å; W271-V343 HydrophobicContact CZ3-CG2 3.99Å; W271-L440 HydrophobicContact CE3-CD2 4.19Å; W271-L440 HydrophobicContact CZ3-CD2 3.97Å; W271-H441 PolarHBondContact O-N 2.65Å
272C97.8Very high95.6Very high0 Ų050.4 Ų50.40%025%0.253CS..EExtended strand (participates in β ladder)trans-149.9165170.3740000114.1A289 I438 H439 L440C272-A289 PolarHBondContact O-N 3.25Å; C272-A289 WeakPolarHBondContact SG-CB 3.24Å; C272-I438 HydrophobicContact CB-CG2 3.98Å; C272-H439 CarbonylContact C-O 3.51Å; C272-H439 WeakPolarHBondContact CA-O 3.34Å; C272-H439 WeakPolarHBondContact CB-O 3.39Å; C272-L440 HydrophobicContact CB-CD2 4.03Å
273S97.8Very high95.9Very high14 Ų1448.1 Ų48.110%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-118.6146.6159.957.20000111.1F287 I438 H439 H441S273-F287 CarbonylContact C-O 3.58Å; S273-F287 WeakPolarHBondContact CA-O 3.4Å; S273-I438 WeakPolarHBondContact O-CA 3.2Å; S273-H439 PolarHBondContact N-O 3.32Å; S273-H439 PolarHBondContact O-N 2.81Å; S273-H441 WeakPolarHBondContact CB-NE2 3.44Å; S273-H441 PolarHBondContact N-NE2 2.99Å; S273-H441 PolarHBondContact OG-NE2 2.75Å
274I98.3Very high96Very high0 Ų049.5 Ų49.50%025%0.25CC..EExtended strand (participates in β ladder)trans-123.4126.2-177.4-49.1175.1000108.7F287 V294 V296 F309 L336 I436 E437 I438I274-F287 HydrophobicContact CB-CB 4.38Å; I274-F287 HydrophobicContact CD1-CD1 4.22Å; I274-F287 PolarHBondContact N-O 3.07Å; I274-F287 PolarHBondContact O-N 3.39Å; I274-V294 HydrophobicContact CD1-CG1 4.12Å; I274-V296 HydrophobicContact CD1-CG2 3.75Å; I274-F309 HydrophobicContact CB-CD1 4.16Å; I274-F309 HydrophobicContact CB-CE1 4.25Å; I274-F309 HydrophobicContact CG2-CD1 3.97Å; I274-F309 HydrophobicContact CG2-CE1 3.97Å; I274-L336 HydrophobicContact CD1-CD1 3.66Å; I274-I436 HydrophobicContact CG2-CB 3.82Å; I274-I436 HydrophobicContact CG2-CD1 3.92Å; I274-I436 HydrophobicContact CG2-CG1 4.41Å; I274-I436 HydrophobicContact CG2-CG2 3.98Å; I274-E437 WeakPolarHBondContact CA-O 3.34Å; I274-I438 HydrophobicContact CG1-CG1 4.4Å; I274-I438 HydrophobicContact CG2-CG1 4.37Å
275V98.4Very high96Very high12 Ų1254.9 Ų54.97%0.07327%0.266CS..EExtended strand (participates in β ladder)trans-115.6132.6177.4-175.30000109.1Y277 R282 A286 I436 E437V275-Y277 HydrophobicContact CB-CE2 3.87Å; V275-Y277 HydrophobicContact CG1-CD2 4.17Å; V275-Y277 HydrophobicContact CG1-CE2 3.49Å; V275-Y277 VanDerWaalsContact CG1-CE2 3.49Å; V275-R282 HydrophobicContact CG1-CG 3.71Å; V275-A286 HydrophobicContact CG2-CB 3.99Å; V275-I436 CarbonylContact O-C 3.54Å; V275-I436 WeakPolarHBondContact O-CA 3.1Å; V275-E437 PolarHBondContact N-O 2.71Å; V275-E437 PolarHBondContact O-N 3.08Å
276Y98.6Very high96.1Very high1 Ų154.2 Ų54.20%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-98.1141.2178.6176.5-120.7000111.9E278 V283 L311 L314 R327 C434 W435 I436Y276-E278 HydrophobicContact CE1-CG 3.68Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.41Å; Y276-E278 WeakPolarHBondContact OH-CG 3.33Å; Y276-E278 PolarHBondContact OH-OE1 2.82Å; Y276-E278 VanDerWaalsContact OH-OE1 3.1Å; Y276-V283 HydrophobicContact CD1-CB 3.73Å; Y276-V283 HydrophobicContact CD1-CG1 3.95Å; Y276-V283 HydrophobicContact CE1-CB 4.04Å; Y276-V283 HydrophobicContact CE1-CG1 4.03Å; Y276-V283 PolarHBondContact O-N 2.7Å; Y276-L311 HydrophobicContact CD1-CD2 4.16Å; Y276-L311 HydrophobicContact CD2-CD1 3.79Å; Y276-L311 HydrophobicContact CD2-CD2 3.93Å; Y276-L311 HydrophobicContact CD2-CG 4.4Å; Y276-L311 HydrophobicContact CE2-CD1 3.81Å; Y276-L311 HydrophobicContact CG-CD1 4.41Å; Y276-L311 HydrophobicContact CG-CD2 3.71Å; Y276-L314 HydrophobicContact CD1-CD1 3.55Å; Y276-L314 HydrophobicContact CE1-CD1 4.27Å; Y276-L314 HydrophobicContact CG-CD1 4.23Å; Y276-R327 PolarHBondContact OH-NH1 3Å; Y276-C434 HydrophobicContact CE2-CB 4.01Å; Y276-C434 PolarHBondContact OH-SG 2.59Å; Y276-W435 VanDerWaalsContact CD2-O 3.24Å; Y276-W435 WeakPolarHBondContact CD2-O 3.45Å; Y276-I436 HydrophobicContact CD2-CG2 3.94Å
277Y98.8Very high96.3Very high44 Ų4450.6 Ų50.617%0.17325%0.251CS..EExtended strand (participates in β ladder)trans-132.4144.5179.5-67.1-93.3000111.3V275 N281 R282 W435 E437V275-Y277 HydrophobicContact CB-CE2 3.87Å; V275-Y277 HydrophobicContact CG1-CD2 4.17Å; V275-Y277 HydrophobicContact CG1-CE2 3.49Å; V275-Y277 VanDerWaalsContact CG1-CE2 3.49Å; Y277-N281 CarbonylContact C-O 3.59Å; Y277-N281 VanDerWaalsContact CA-O 3.25Å; Y277-N281 WeakPolarHBondContact CA-O 3.35Å; Y277-R282 HydrophobicContact CD1-CB 3.97Å; Y277-R282 HydrophobicContact CE1-CB 3.66Å; Y277-R282 HydrophobicContact CE1-CG 4.23Å; Y277-W435 VanDerWaalsContact CB-NE1 3.32Å; Y277-W435 HydrophobicContact CD1-CH2 4.24Å; Y277-W435 AromaticContact CD1-CZ2 3.86Å; Y277-W435 HydrophobicContact CD1-CZ2 3.86Å; Y277-W435 HydrophobicContact CD2-CD2 4.23Å; Y277-W435 HydrophobicContact CD2-CE3 4.08Å; Y277-W435 AromaticContact CD2-CH2 3.58Å; Y277-W435 HydrophobicContact CD2-CH2 3.58Å; Y277-W435 AromaticContact CD2-CZ2 3.75Å; Y277-W435 HydrophobicContact CD2-CZ2 3.75Å; Y277-W435 AromaticContact CD2-CZ3 3.78Å; Y277-W435 HydrophobicContact CD2-CZ3 3.78Å; Y277-W435 HydrophobicContact CE1-CH2 4.5Å; Y277-W435 HydrophobicContact CE1-CZ2 4.5Å; Y277-W435 AromaticContact CE2-CH2 3.86Å; Y277-W435 HydrophobicContact CE2-CH2 3.86Å; Y277-W435 HydrophobicContact CE2-CZ2 4.38Å; Y277-W435 HydrophobicContact CE2-CZ3 4.11Å; Y277-W435 HydrophobicContact CG-CD2 4.29Å; Y277-W435 AromaticContact CG-CE2 3.73Å; Y277-W435 AromaticContact CG-CH2 3.79Å; Y277-W435 HydrophobicContact CG-CH2 3.79Å; Y277-W435 AromaticContact CG-CZ2 3.46Å; Y277-W435 HydrophobicContact CG-CZ2 3.46Å; Y277-W435 VanDerWaalsContact CG-CZ2 3.46Å; Y277-W435 HydrophobicContact CG-CZ3 4.35Å; Y277-W435 PolarHBondContact N-O 3.11Å; Y277-W435 PolarHBondContact O-N 3.39Å; Y277-E437 HydrophobicContact CD2-CB 4.48Å; Y277-E437 HydrophobicContact CE2-CB 3.92Å
278E98.6Very high96.6Very high0 Ų050.3 Ų50.30%025%0.25CC..EExtended strand (participates in β ladder)trans-118.7110166.9-66.5179.4-178.800107.6Y276 N280 N281 V283 N316 R319 I323 R327 P433Y276-E278 HydrophobicContact CE1-CG 3.68Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.41Å; Y276-E278 WeakPolarHBondContact OH-CG 3.33Å; Y276-E278 PolarHBondContact OH-OE1 2.82Å; Y276-E278 VanDerWaalsContact OH-OE1 3.1Å; E278-N280 PolarHBondContact O-N 3.1Å; E278-N281 PolarHBondContact N-O 3.11Å; E278-N281 PolarHBondContact O-N 3.21Å; E278-V283 HydrophobicContact CB-CG2 3.95Å; E278-V283 HydrophobicContact CG-CG2 3.87Å; E278-N316 VanDerWaalsContact OE2-CB 3.32Å; E278-N316 WeakPolarHBondContact OE2-CB 3.38Å; E278-N316 PolarHBondContact OE2-ND2 3.11Å; E278-R319 IonicContact OE1-CZ 2.69Å; E278-R319 VanDerWaalsContact OE1-CZ 3.27Å; E278-R319 IonicContact OE1-NE 3.62Å; E278-R319 PolarHBondContact OE1-NE 3.23Å; E278-R319 IonicContact OE1-NH2 3.44Å; E278-R319 PolarHBondContact OE1-NH2 3.38Å; E278-R319 IonicContact OE2-CZ 3.53Å; E278-R319 IonicContact OE2-NE 3Å; E278-R319 PolarHBondContact OE2-NE 2.67Å; E278-R319 IonicContact OE2-NH2 3.85Å; E278-I323 HydrophobicContact CB-CD1 4.15Å; E278-I323 HydrophobicContact CB-CG2 4.14Å; E278-I323 VanDerWaalsContact CD-CG2 3.45Å; E278-I323 HydrophobicContact CG-CG2 3.78Å; E278-I323 WeakPolarHBondContact OE2-CG2 3.22Å; E278-R327 WeakPolarHBondContact OE1-CD 3.48Å; E278-R327 IonicContact OE1-CZ 2.71Å; E278-R327 IonicContact OE1-NE 3.27Å; E278-R327 IonicContact OE1-NH1 3.47Å; E278-R327 PolarHBondContact OE1-NH1 2.88Å; E278-R327 VanDerWaalsContact OE1-NH1 3.08Å; E278-P433 WeakPolarHBondContact CA-O 3.44Å
279L98.3Very high96.7Very high48 Ų4849.1 Ų49.125%0.25124%0.242SC..THydrogen-bonded Turntrans57.1-124.6-166-55.5170.1000111.2I323 T430 T432 W435L279-I323 HydrophobicContact CD1-CD1 4Å; L279-I323 HydrophobicContact CG-CD1 4.11Å; L279-T430 CarbonylContact C-O 3.59Å; L279-T430 WeakPolarHBondContact CA-O 3.3Å; L279-T430 WeakPolarHBondContact CB-O 3.29Å; L279-T432 WeakPolarHBondContact CA-O 3.18Å; L279-T432 PolarHBondContact N-O 3.04Å; L279-W435 PolarHBondContact O-NE1 2.73Å
280N97.4Very high96.7Very high113 Ų11343.5 Ų43.560%0.60423%0.225SC*.THydrogen-bonded Turntrans-91.6317564.3-24.1000113.6E278 T430E278-N280 PolarHBondContact O-N 3.1Å; N280-T430 HydrophobicContact CB-CG2 4.33Å
281N97.9Very high96.5Very high60 Ų6042.2 Ų42.232%0.32122%0.221SC..EExtended strand (participates in β ladder)trans-96.9127.1-177.2-64.1-64.7000110.9Y277 E278Y277-N281 CarbonylContact C-O 3.59Å; Y277-N281 VanDerWaalsContact CA-O 3.25Å; Y277-N281 WeakPolarHBondContact CA-O 3.35Å; E278-N281 PolarHBondContact N-O 3.11Å; E278-N281 PolarHBondContact O-N 3.21Å
282R98.1Very high96.3Very high145 Ų14543.6 Ų43.655%0.54723%0.231SC..EExtended strand (participates in β ladder)trans-69.3132.8168.9-177.2177173.2-165.32.5109.6V275 Y277V275-R282 HydrophobicContact CG1-CG 3.71Å; Y277-R282 HydrophobicContact CD1-CB 3.97Å; Y277-R282 HydrophobicContact CE1-CB 3.66Å; Y277-R282 HydrophobicContact CE1-CG 4.23Å
283V98.1Very high96.1Very high5 Ų544.4 Ų44.43%0.0324%0.237CC..  trans-127.1117.8-177.6178.50000109.9Y276 E278 L314 N316Y276-V283 HydrophobicContact CD1-CB 3.73Å; Y276-V283 HydrophobicContact CD1-CG1 3.95Å; Y276-V283 HydrophobicContact CE1-CB 4.04Å; Y276-V283 HydrophobicContact CE1-CG1 4.03Å; Y276-V283 PolarHBondContact O-N 2.7Å; E278-V283 HydrophobicContact CB-CG2 3.95Å; E278-V283 HydrophobicContact CG-CG2 3.87Å; V283-L314 HydrophobicContact CG1-CB 3.93Å; V283-N316 HydrophobicContact CG1-CB 4.09Å; V283-N316 HydrophobicContact CG2-CB 3.97Å
284G95.5Very high96Very high39 Ų3943.8 Ų43.840%0.40223%0.232SC..SBendtrans82-178.9-179.500000114.7
285E94.2Very high95.9Very high168 Ų16845.6 Ų45.679%0.78524%0.242SC*.PPolyproline II helixtrans-80.4162.2177.6-63.2-171157.400112
286A95.9Very high95.8Very high24 Ų2445 Ų4520%0.19824%0.238CC..PPolyproline II helixtrans-73.5127.5172.600000110.1V275 H288V275-A286 HydrophobicContact CG2-CB 3.99Å; A286-H288 PolarHBondContact O-CE1 2.96Å; A286-H288 PolarHBondContact O-ND1 2.92Å
287F95.4Very high95.8Very high29 Ų2945 Ų4513%0.12724%0.238CC..EExtended strand (participates in β ladder)trans-81.7133173.1179.9-87000110S273 I274 A289 V294 K306 F309S273-F287 CarbonylContact C-O 3.58Å; S273-F287 WeakPolarHBondContact CA-O 3.4Å; I274-F287 HydrophobicContact CB-CB 4.38Å; I274-F287 HydrophobicContact CD1-CD1 4.22Å; I274-F287 PolarHBondContact N-O 3.07Å; I274-F287 PolarHBondContact O-N 3.39Å; F287-A289 HydrophobicContact CE1-CB 4.24Å; F287-V294 HydrophobicContact CD1-CG1 4.21Å; F287-V294 HydrophobicContact CE1-CB 4.4Å; F287-V294 HydrophobicContact CE1-CG1 3.43Å; F287-V294 VanDerWaalsContact CE1-CG1 3.43Å; F287-V294 HydrophobicContact CE1-CG2 4Å; F287-V294 HydrophobicContact CZ-CG1 3.9Å; F287-K306 WeakPolarHBondContact CZ-O 3.21Å; F287-F309 HydrophobicContact CB-CB 4.21Å; F287-F309 HydrophobicContact CB-CD1 3.61Å; F287-F309 HydrophobicContact CB-CD2 3.99Å; F287-F309 HydrophobicContact CB-CE1 3.86Å; F287-F309 HydrophobicContact CB-CE2 4.22Å; F287-F309 HydrophobicContact CB-CG 3.68Å; F287-F309 HydrophobicContact CB-CZ 4.16Å; F287-F309 HydrophobicContact CD1-CB 4.27Å; F287-F309 HydrophobicContact CD2-CB 3.66Å; F287-F309 HydrophobicContact CD2-CD2 4.07Å; F287-F309 AromaticContact CD2-CG 3.89Å; F287-F309 HydrophobicContact CD2-CG 3.89Å; F287-F309 HydrophobicContact CE2-CB 3.99Å; F287-F309 HydrophobicContact CG-CB 3.78Å; F287-F309 HydrophobicContact CG-CD1 4.1Å; F287-F309 HydrophobicContact CG-CD2 4.3Å; F287-F309 AromaticContact CG-CG 3.82Å; F287-F309 HydrophobicContact CG-CG 3.82Å; F287-F309 HydrophobicContact CZ-CB 4.42Å
288H95.9Very high95.7Very high92 Ų9243.7 Ų43.743%0.42624%0.238SC..EExtended strand (participates in β ladder)trans-112.7112.6-177.6-65.574.5000110.6A286 S290A286-H288 PolarHBondContact O-CE1 2.96Å; A286-H288 PolarHBondContact O-ND1 2.92Å; H288-S290 PolarHBondContact O-N 2.91Å
289A94.6Very high95.6Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-81.8107-173.300000111.2H270 W271 C272 F287 V294H270-A289 CarbonylContact C-O 3.51Å; H270-A289 WeakPolarHBondContact CA-O 3.4Å; H270-A289 WeakPolarHBondContact CB-O 3.38Å; W271-A289 HydrophobicContact CD2-CB 4.41Å; W271-A289 HydrophobicContact CZ2-CB 4.05Å; W271-A289 PolarHBondContact N-O 3.08Å; W271-A289 VanDerWaalsContact N-O 3.15Å; C272-A289 PolarHBondContact O-N 3.25Å; C272-A289 WeakPolarHBondContact SG-CB 3.24Å; F287-A289 HydrophobicContact CE1-CB 4.24Å; A289-V294 HydrophobicContact CB-CG2 3.61Å
290S90.1Very high95.4Very high60 Ų6050.6 Ų50.642%0.4227%0.274SS..  trans-91.8-37.9171.9-44.80000111.7H270 H288H270-S290 PolarHBondContact CE1-OG 3.13Å; H270-S290 PolarHBondContact ND1-OG 3.46Å; H288-S290 PolarHBondContact O-N 2.91Å
291S91.2Very high95Very high17 Ų1747.2 Ų47.212%0.11926%0.256CS..SBendtrans-75.4140174.3166.80000109.9W271 S293 N307W271-S291 PolarHBondContact NE1-O 2.99Å; S291-S293 WeakPolarHBondContact CB-O 3.26Å; S291-S293 PolarHBondContact O-N 3.26Å; S291-S293 PolarHBondContact OG-N 2.88Å; S291-S293 VanDerWaalsContact OG-N 3.08Å; S291-S293 PolarHBondContact OG-O 3.22Å; S291-N307 WeakPolarHBondContact CB-OD1 3.42Å
292T92Very high93.9Very high44 Ų4450 Ų5027%0.2728%0.277SS..SBendtrans-62.1-8.1171.652.60000113.3Y337 Y338T292-Y337 CarbonylContact O-C 3.53Å; T292-Y337 WeakPolarHBondContact O-CA 3.25Å; T292-Y338 WeakPolarHBondContact CB-O 3.24Å; T292-Y338 HydrophobicContact CG2-CD1 4.39Å; T292-Y338 PolarHBondContact O-N 2.85Å
293S93.1Very high92.7Very high18 Ų1846.3 Ų46.313%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-130.4117.6-178.9178.50000109.4S291 H335S291-S293 WeakPolarHBondContact CB-O 3.26Å; S291-S293 PolarHBondContact O-N 3.26Å; S291-S293 PolarHBondContact OG-N 2.88Å; S291-S293 VanDerWaalsContact OG-N 3.08Å; S291-S293 PolarHBondContact OG-O 3.22Å; S293-H335 PolarHBondContact OG-NE2 3.44Å
294V95Very high91.3Very high0 Ų053.2 Ų53.20%031%0.311CS..EExtended strand (participates in β ladder)trans-132.5128.9-177.5176.30000110.7W271 I274 F287 A289 V296 N307 H335 L336W271-V294 HydrophobicContact CZ2-CG2 4.31Å; I274-V294 HydrophobicContact CD1-CG1 4.12Å; F287-V294 HydrophobicContact CD1-CG1 4.21Å; F287-V294 HydrophobicContact CE1-CB 4.4Å; F287-V294 HydrophobicContact CE1-CG1 3.43Å; F287-V294 VanDerWaalsContact CE1-CG1 3.43Å; F287-V294 HydrophobicContact CE1-CG2 4Å; F287-V294 HydrophobicContact CZ-CG1 3.9Å; A289-V294 HydrophobicContact CB-CG2 3.61Å; V294-V296 HydrophobicContact CG1-CG2 4.38Å; V294-N307 WeakPolarHBondContact CA-O 3.49Å; V294-H335 PolarHBondContact O-CD2 2.83Å; V294-L336 PolarHBondContact N-O 3.19Å; V294-L336 PolarHBondContact O-N 3.12Å
295L96.1Very high90.6Very high38 Ų3854.2 Ų54.220%0.19931%0.307CS..EExtended strand (participates in β ladder)trans-101.3124.5173.7-17970.8000109.7D297 N307 R308 F309 K332 H335 L348L295-D297 HydrophobicContact CD2-CB 4.4Å; L295-D297 WeakPolarHBondContact CD2-OD2 2.81Å; L295-D297 HydrophobicContact CG-CB 4.24Å; L295-N307 PolarHBondContact N-O 2.85Å; L295-R308 HydrophobicContact CB-CG 4.1Å; L295-R308 HydrophobicContact CD2-CG 4.2Å; L295-R308 CarbonylContact O-C 3.57Å; L295-R308 VanDerWaalsContact O-CA 3.3Å; L295-R308 WeakPolarHBondContact O-CA 3.23Å; L295-F309 PolarHBondContact O-N 3.16Å; L295-K332 WeakPolarHBondContact CD1-O 3.36Å; L295-H335 HydrophobicContact CD1-CB 4.28Å; L295-L348 HydrophobicContact CD1-CD1 3.62Å
296V97.8Very high90.2Very high0 Ų052.8 Ų52.80%030%0.298CS..EExtended strand (participates in β ladder)trans-106.7112.1171.1-173.40000107.7I274 V294 F309 L311 G333 V334 L336 F416 I436I274-V296 HydrophobicContact CD1-CG2 3.75Å; V294-V296 HydrophobicContact CG1-CG2 4.38Å; V296-F309 WeakPolarHBondContact CA-O 2.99Å; V296-F309 HydrophobicContact CB-CB 4.48Å; V296-F309 HydrophobicContact CG1-CB 4.29Å; V296-F309 HydrophobicContact CG1-CD1 4.03Å; V296-F309 HydrophobicContact CG1-CG 4.41Å; V296-F309 HydrophobicContact CG2-CB 4.16Å; V296-F309 HydrophobicContact CG2-CD1 4.37Å; V296-L311 HydrophobicContact CG1-CD1 3.8Å; V296-L311 HydrophobicContact CG1-CD2 4.07Å; V296-L311 HydrophobicContact CG1-CG 3.88Å; V296-G333 CarbonylContact O-C 3.55Å; V296-G333 VanDerWaalsContact O-CA 3.27Å; V296-G333 WeakPolarHBondContact O-CA 3.49Å; V296-V334 HydrophobicContact CB-CG1 3.84Å; V296-V334 HydrophobicContact CG2-CG1 4.3Å; V296-V334 PolarHBondContact N-O 2.82Å; V296-V334 PolarHBondContact O-N 2.72Å; V296-L336 HydrophobicContact CG2-CD1 4.28Å; V296-F416 HydrophobicContact CG1-CZ 4Å; V296-I436 HydrophobicContact CG1-CD1 4.46Å; V296-I436 HydrophobicContact CG1-CG2 4.5Å; V296-I436 HydrophobicContact CG2-CD1 4.42Å
297D97.8Very high89.9Confident0 Ų054.2 Ų54.20%030%0.302CS..EExtended strand (participates in β ladder)trans-132.1167.8-17071.548.2000113.4L295 F299 R308 F309 C310 L311 G331L295-D297 HydrophobicContact CD2-CB 4.4Å; L295-D297 WeakPolarHBondContact CD2-OD2 2.81Å; L295-D297 HydrophobicContact CG-CB 4.24Å; D297-F299 HydrophobicContact CB-CD2 4.03Å; D297-F299 WeakPolarHBondContact OD1-CA 3.42Å; D297-F299 WeakPolarHBondContact OD1-CB 3.31Å; D297-F299 PolarHBondContact OD1-N 3.41Å; D297-R308 IonicContact OD1-NH2 3.72Å; D297-R308 PolarHBondContact OD1-NH2 3.11Å; D297-R308 IonicContact OD2-CZ 3.02Å; D297-R308 VanDerWaalsContact OD2-CZ 3.23Å; D297-R308 IonicContact OD2-NE 3.82Å; D297-R308 PolarHBondContact OD2-NE 3.45Å; D297-R308 IonicContact OD2-NH2 3.07Å; D297-R308 PolarHBondContact OD2-NH2 3.49Å; D297-F309 PolarHBondContact N-O 3.22Å; D297-C310 PolarHBondContact OD1-SG 3.5Å; D297-L311 WeakPolarHBondContact O-CB 3.32Å; D297-L311 PolarHBondContact O-N 2.94Å; D297-G331 WeakPolarHBondContact CB-O 3.44Å
298G97.6Very high89.8Confident17 Ų1756 Ų5618%0.17531%0.308CS..SBendtrans-91.19.2179.900000114.2G312 G331G298-G312 WeakPolarHBondContact O-CA 3.18Å; G298-G331 PolarHBondContact N-O 3.37Å
299F96.2Very high89.8Confident103 Ų10352.3 Ų52.345%0.45229%0.291SS..SBendtrans-88.4-173.4-178.4-56.8-59.7000111.3D297 C310 G312 G331 K332D297-F299 HydrophobicContact CB-CD2 4.03Å; D297-F299 WeakPolarHBondContact OD1-CA 3.42Å; D297-F299 WeakPolarHBondContact OD1-CB 3.31Å; D297-F299 PolarHBondContact OD1-N 3.41Å; F299-C310 VanDerWaalsContact O-CB 3.31Å; F299-C310 WeakPolarHBondContact O-CB 3.48Å; F299-G312 WeakPolarHBondContact O-CA 3.43Å; F299-G312 PolarHBondContact O-N 2.71Å; F299-G331 WeakPolarHBondContact CE2-O 3.23Å; F299-K332 HydrophobicContact CE2-CG 4.12Å; F299-K332 HydrophobicContact CZ-CG 4.4Å
300T94.2Very high89.8Confident91 Ų9152.7 Ų52.756%0.55829%0.293SS*.  trans-129.634-167.162.80000112.6P302T300-P302 WeakPolarHBondContact O-CD 3.44Å; T300-P302 VanDerWaalsContact O-N 3.07Å
301D87.7Confident90.2Very high42 Ų4249.8 Ų49.823%0.22527%0.273CS..  trans-62.6112178.4-175.30.6000109.4S303 R308D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 VanDerWaalsContact OD1-CB 3.27Å; D301-S303 WeakPolarHBondContact OD1-CB 3.36Å; D301-S303 PolarHBondContact OD1-N 2.95Å; D301-S303 PolarHBondContact OD1-OG 3.15Å; D301-S303 PolarHBondContact OD2-OG 2.74Å; D301-R308 IonicContact OD2-CZ 3.73Å; D301-R308 IonicContact OD2-NH1 3.08Å; D301-R308 PolarHBondContact OD2-NH1 3.49Å
302P74.5Confident90.4Very high118 Ų11850.1 Ų50.177%0.76628%0.279SS*.  trans-87.7-9.2-17837-32.7000111.3T300 N304T300-P302 WeakPolarHBondContact O-CD 3.44Å; T300-P302 VanDerWaalsContact O-N 3.07Å; P302-N304 PolarHBondContact O-N 3.04Å
303S72.9Confident90.5Very high68 Ų6852.1 Ų52.148%0.47629%0.287SS..SBendtrans-62.7129.5172.372.50000106.3D301 N305D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 VanDerWaalsContact OD1-CB 3.27Å; D301-S303 WeakPolarHBondContact OD1-CB 3.36Å; D301-S303 PolarHBondContact OD1-N 2.95Å; D301-S303 PolarHBondContact OD1-OG 3.15Å; D301-S303 PolarHBondContact OD2-OG 2.74Å; S303-N305 PolarHBondContact O-N 3.08Å
304N70.6Confident90.6Very high150 Ų15052.3 Ų52.380%0.80229%0.287SS*.  trans-66.758.6-177.6-17020.1000111P302 K306P302-N304 PolarHBondContact O-N 3.04Å; N304-K306 PolarHBondContact O-N 2.82Å; N304-K306 VanDerWaalsContact O-N 3.1Å
305N80.3Confident90.7Very high59 Ų5957.4 Ų57.432%0.31632%0.323SS..  trans-75.9100.3-175.2-177.5-17.2000106.5S303 N307 R308S303-N305 PolarHBondContact O-N 3.08Å; N305-N307 PolarHBondContact O-N 2.99Å; N305-N307 PolarHBondContact OD1-N 3.07Å; N305-N307 VanDerWaalsContact OD1-N 3.09Å; N305-R308 HydrophobicContact CB-CB 4.21Å; N305-R308 PolarHBondContact O-N 2.91Å; N305-R308 VanDerWaalsContact O-O 3.12Å
306K84.4Confident90.7Very high139 Ų13957 Ų5760%0.60432%0.321SS*.THydrogen-bonded Turntrans-60.7-4.4-177.7-60.4-177.1-179.7178.60114.2F287 N304F287-K306 WeakPolarHBondContact CZ-O 3.21Å; N304-K306 PolarHBondContact O-N 2.82Å; N304-K306 VanDerWaalsContact O-N 3.1Å
307N89.6Confident90.7Very high53 Ų5363.9 Ų63.928%0.28336%0.362SS..THydrogen-bonded Turntrans-112.4-1.2179.1-55.5-10000112.5S291 V294 L295 N305S291-N307 WeakPolarHBondContact CB-OD1 3.42Å; V294-N307 WeakPolarHBondContact CA-O 3.49Å; L295-N307 PolarHBondContact N-O 2.85Å; N305-N307 PolarHBondContact O-N 2.99Å; N305-N307 PolarHBondContact OD1-N 3.07Å; N305-N307 VanDerWaalsContact OD1-N 3.09Å
308R94.3Very high90.6Very high66 Ų6669 Ų6925%0.24939%0.389CS..EExtended strand (participates in β ladder)trans-127.5120.2178.3-78.8-176.468.3-155.52.4111.3L295 D297 D301 N305 C310L295-R308 HydrophobicContact CB-CG 4.1Å; L295-R308 HydrophobicContact CD2-CG 4.2Å; L295-R308 CarbonylContact O-C 3.57Å; L295-R308 VanDerWaalsContact O-CA 3.3Å; L295-R308 WeakPolarHBondContact O-CA 3.23Å; D297-R308 IonicContact OD1-NH2 3.72Å; D297-R308 PolarHBondContact OD1-NH2 3.11Å; D297-R308 IonicContact OD2-CZ 3.02Å; D297-R308 VanDerWaalsContact OD2-CZ 3.23Å; D297-R308 IonicContact OD2-NE 3.82Å; D297-R308 PolarHBondContact OD2-NE 3.45Å; D297-R308 IonicContact OD2-NH2 3.07Å; D297-R308 PolarHBondContact OD2-NH2 3.49Å; D301-R308 IonicContact OD2-CZ 3.73Å; D301-R308 IonicContact OD2-NH1 3.08Å; D301-R308 PolarHBondContact OD2-NH1 3.49Å; N305-R308 HydrophobicContact CB-CB 4.21Å; N305-R308 PolarHBondContact O-N 2.91Å; N305-R308 VanDerWaalsContact O-O 3.12Å; R308-C310 PolarHBondContact NH2-SG 3.49Å
309F95.6Very high90.6Very high16 Ų1670.7 Ų70.77%0.0739%0.391CS..EExtended strand (participates in β ladder)trans-99.196169.6-172-163.2000109.8I274 F287 L295 V296 D297 L311 L314I274-F309 HydrophobicContact CB-CD1 4.16Å; I274-F309 HydrophobicContact CB-CE1 4.25Å; I274-F309 HydrophobicContact CG2-CD1 3.97Å; I274-F309 HydrophobicContact CG2-CE1 3.97Å; F287-F309 HydrophobicContact CB-CB 4.21Å; F287-F309 HydrophobicContact CB-CD1 3.61Å; F287-F309 HydrophobicContact CB-CD2 3.99Å; F287-F309 HydrophobicContact CB-CE1 3.86Å; F287-F309 HydrophobicContact CB-CE2 4.22Å; F287-F309 HydrophobicContact CB-CG 3.68Å; F287-F309 HydrophobicContact CB-CZ 4.16Å; F287-F309 HydrophobicContact CD1-CB 4.27Å; F287-F309 HydrophobicContact CD2-CB 3.66Å; F287-F309 HydrophobicContact CD2-CD2 4.07Å; F287-F309 AromaticContact CD2-CG 3.89Å; F287-F309 HydrophobicContact CD2-CG 3.89Å; F287-F309 HydrophobicContact CE2-CB 3.99Å; F287-F309 HydrophobicContact CG-CB 3.78Å; F287-F309 HydrophobicContact CG-CD1 4.1Å; F287-F309 HydrophobicContact CG-CD2 4.3Å; F287-F309 AromaticContact CG-CG 3.82Å; F287-F309 HydrophobicContact CG-CG 3.82Å; F287-F309 HydrophobicContact CZ-CB 4.42Å; L295-F309 PolarHBondContact O-N 3.16Å; V296-F309 WeakPolarHBondContact CA-O 2.99Å; V296-F309 HydrophobicContact CB-CB 4.48Å; V296-F309 HydrophobicContact CG1-CB 4.29Å; V296-F309 HydrophobicContact CG1-CD1 4.03Å; V296-F309 HydrophobicContact CG1-CG 4.41Å; V296-F309 HydrophobicContact CG2-CB 4.16Å; V296-F309 HydrophobicContact CG2-CD1 4.37Å; D297-F309 PolarHBondContact N-O 3.22Å; F309-L311 HydrophobicContact CD1-CD2 4Å; F309-L311 HydrophobicContact CD2-CD2 4.18Å; F309-L311 HydrophobicContact CE1-CD2 3.77Å; F309-L311 HydrophobicContact CE2-CD2 3.95Å; F309-L311 HydrophobicContact CG-CD2 4.2Å; F309-L311 HydrophobicContact CZ-CD2 3.75Å; F309-L311 PolarHBondContact O-N 3.3Å; F309-L314 HydrophobicContact CE2-CD1 4.02Å; F309-L314 HydrophobicContact CZ-CD1 4.2Å
310C96Very high90.7Very high7 Ų769 Ų695%0.04739%0.387CS..EExtended strand (participates in β ladder)trans-86.5101.7-177-74.60000111.2D297 F299 R308 G312 L313D297-C310 PolarHBondContact OD1-SG 3.5Å; F299-C310 VanDerWaalsContact O-CB 3.31Å; F299-C310 WeakPolarHBondContact O-CB 3.48Å; R308-C310 PolarHBondContact NH2-SG 3.49Å; C310-G312 VanDerWaalsContact C-N 3.26Å; C310-G312 PolarHBondContact O-N 3.39Å; C310-L313 HydrophobicContact CB-CD2 3.67Å; C310-L313 WeakPolarHBondContact O-CD2 3.35Å; C310-L313 WeakPolarHBondContact O-CG 3.24Å
311L97.1Very high90.9Very high0 Ų069 Ų690%039%0.39CS..G310 helixtrans-71.2-23.6-179.5-54.8-178.4000112.4Y276 V296 D297 F309 L313 L314 R327 I330 F416Y276-L311 HydrophobicContact CD1-CD2 4.16Å; Y276-L311 HydrophobicContact CD2-CD1 3.79Å; Y276-L311 HydrophobicContact CD2-CD2 3.93Å; Y276-L311 HydrophobicContact CD2-CG 4.4Å; Y276-L311 HydrophobicContact CE2-CD1 3.81Å; Y276-L311 HydrophobicContact CG-CD1 4.41Å; Y276-L311 HydrophobicContact CG-CD2 3.71Å; V296-L311 HydrophobicContact CG1-CD1 3.8Å; V296-L311 HydrophobicContact CG1-CD2 4.07Å; V296-L311 HydrophobicContact CG1-CG 3.88Å; D297-L311 WeakPolarHBondContact O-CB 3.32Å; D297-L311 PolarHBondContact O-N 2.94Å; F309-L311 HydrophobicContact CD1-CD2 4Å; F309-L311 HydrophobicContact CD2-CD2 4.18Å; F309-L311 HydrophobicContact CE1-CD2 3.77Å; F309-L311 HydrophobicContact CE2-CD2 3.95Å; F309-L311 HydrophobicContact CG-CD2 4.2Å; F309-L311 HydrophobicContact CZ-CD2 3.75Å; F309-L311 PolarHBondContact O-N 3.3Å; L311-L313 VanDerWaalsContact C-N 3.28Å; L311-L313 PolarHBondContact O-N 3.33Å; L311-L314 HydrophobicContact CD2-CD1 3.93Å; L311-L314 WeakPolarHBondContact O-CB 3.5Å; L311-L314 PolarHBondContact O-N 3.12Å; L311-L314 VanDerWaalsContact O-N 3.15Å; L311-R327 VanDerWaalsContact O-CZ 3.3Å; L311-R327 PolarHBondContact O-NH1 2.56Å; L311-R327 PolarHBondContact O-NH2 3.24Å; L311-I330 HydrophobicContact CD1-CD1 4.06Å; L311-F416 HydrophobicContact CD1-CD2 4.43Å; L311-F416 HydrophobicContact CD1-CE2 3.76Å; L311-F416 HydrophobicContact CD1-CZ 4.09Å
312G96.4Very high91.4Very high23 Ų2370.2 Ų70.224%0.23740%0.399CS..G310 helixtrans-61.7-31.2-175.200000114.1G298 F299 C310 R327G298-G312 WeakPolarHBondContact O-CA 3.18Å; F299-G312 WeakPolarHBondContact O-CA 3.43Å; F299-G312 PolarHBondContact O-N 2.71Å; C310-G312 VanDerWaalsContact C-N 3.26Å; C310-G312 PolarHBondContact O-N 3.39Å; G312-R327 VanDerWaalsContact C-NH2 3.3Å; G312-R327 VanDerWaalsContact CA-NH2 3.33Å; G312-R327 PolarHBondContact O-NH2 3.26Å
313L94Very high92.5Very high86 Ų8664.8 Ų64.845%0.4536%0.363SS..G310 helixtrans-81.9-15.3178.96895.1000113.8C310 L311 S315C310-L313 HydrophobicContact CB-CD2 3.67Å; C310-L313 WeakPolarHBondContact O-CD2 3.35Å; C310-L313 WeakPolarHBondContact O-CG 3.24Å; L311-L313 VanDerWaalsContact C-N 3.28Å; L311-L313 PolarHBondContact O-N 3.33Å; L313-S315 PolarHBondContact O-N 3.04Å
314L95.5Very high93.7Very high23 Ų2365.6 Ų65.612%0.1236%0.36CS..  trans-71.6126-177.3-55.8178.1000110.5Y276 V283 F309 L311 R319 R327Y276-L314 HydrophobicContact CD1-CD1 3.55Å; Y276-L314 HydrophobicContact CE1-CD1 4.27Å; Y276-L314 HydrophobicContact CG-CD1 4.23Å; V283-L314 HydrophobicContact CG1-CB 3.93Å; F309-L314 HydrophobicContact CE2-CD1 4.02Å; F309-L314 HydrophobicContact CZ-CD1 4.2Å; L311-L314 HydrophobicContact CD2-CD1 3.93Å; L311-L314 WeakPolarHBondContact O-CB 3.5Å; L311-L314 PolarHBondContact O-N 3.12Å; L311-L314 VanDerWaalsContact O-N 3.15Å; L314-R319 PolarHBondContact O-NH1 3.15Å; L314-R319 PolarHBondContact O-NH2 2.87Å; L314-R327 PolarHBondContact O-NH2 3.25Å
315S96Very high95Very high107 Ų10762.1 Ų62.175%0.74834%0.341SS*.  trans-90.1146.9176.7-540000111.4L313L313-S315 PolarHBondContact O-N 3.04Å
316N96.9Very high95.8Very high30 Ų3059.4 Ų59.416%0.1633%0.327CS..  trans-148.2121.7170.5176.813.1000108.3E278 V283 N318 R319E278-N316 VanDerWaalsContact OE2-CB 3.32Å; E278-N316 WeakPolarHBondContact OE2-CB 3.38Å; E278-N316 PolarHBondContact OE2-ND2 3.11Å; V283-N316 HydrophobicContact CG1-CB 4.09Å; V283-N316 HydrophobicContact CG2-CB 3.97Å; N316-N318 VanDerWaalsContact C-N 3.29Å; N316-N318 PolarHBondContact O-N 3.49Å; N316-N318 PolarHBondContact OD1-N 2.8Å; N316-R319 HydrophobicContact CB-CB 4.23Å; N316-R319 VanDerWaalsContact O-CB 3.25Å; N316-R319 WeakPolarHBondContact O-CB 3.3Å; N316-R319 PolarHBondContact O-N 2.99Å
317V97.2Very high96.5Very high143 Ų14354 Ų5487%0.86730%0.303SS*.THydrogen-bonded Turntrans-72.8-23.1-179.2-63.20000112.8R319V317-R319 VanDerWaalsContact C-N 3.26Å; V317-R319 PolarHBondContact O-N 2.88Å
318N96.4Very high96.9Very high107 Ų10759.1 Ų59.157%0.57232%0.318SS*.THydrogen-bonded Turntrans-89.69.9179-63.2-30.7000112.5N316 N320N316-N318 VanDerWaalsContact C-N 3.29Å; N316-N318 PolarHBondContact O-N 3.49Å; N316-N318 PolarHBondContact OD1-N 2.8Å; N318-N320 PolarHBondContact O-N 3.06Å
319R97.7Very high97.1Very high54 Ų5460.2 Ų60.220%0.20433%0.326CS..  trans-71.2123.3-176.4-171.7177.1-68.1148.2-0.3110.6E278 L314 N316 V317 I323 E324 R327E278-R319 IonicContact OE1-CZ 2.69Å; E278-R319 VanDerWaalsContact OE1-CZ 3.27Å; E278-R319 IonicContact OE1-NE 3.62Å; E278-R319 PolarHBondContact OE1-NE 3.23Å; E278-R319 IonicContact OE1-NH2 3.44Å; E278-R319 PolarHBondContact OE1-NH2 3.38Å; E278-R319 IonicContact OE2-CZ 3.53Å; E278-R319 IonicContact OE2-NE 3Å; E278-R319 PolarHBondContact OE2-NE 2.67Å; E278-R319 IonicContact OE2-NH2 3.85Å; L314-R319 PolarHBondContact O-NH1 3.15Å; L314-R319 PolarHBondContact O-NH2 2.87Å; N316-R319 HydrophobicContact CB-CB 4.23Å; N316-R319 VanDerWaalsContact O-CB 3.25Å; N316-R319 WeakPolarHBondContact O-CB 3.3Å; N316-R319 PolarHBondContact O-N 2.99Å; V317-R319 VanDerWaalsContact C-N 3.26Å; V317-R319 PolarHBondContact O-N 2.88Å; R319-I323 HydrophobicContact CG-CB 3.77Å; R319-I323 HydrophobicContact CG-CG2 3.62Å; R319-E324 HydrophobicContact CG-CG 3.83Å; R319-R327 VanDerWaalsContact CZ-NE 3.27Å; R319-R327 VanDerWaalsContact NH2-CZ 3.27Å
320N97.9Very high97.2Very high68 Ų6859.5 Ų59.536%0.36432%0.323SS..  trans-96.2170.8174.267.943.8000112.2N318 T322 I323 E324N318-N320 PolarHBondContact O-N 3.06Å; N320-T322 PolarHBondContact O-N 3.13Å; N320-T322 WeakPolarHBondContact OD1-CB 3.35Å; N320-T322 PolarHBondContact OD1-N 2.81Å; N320-I323 PolarHBondContact O-N 3.16Å; N320-I323 VanDerWaalsContact O-N 3.08Å; N320-I323 PolarHBondContact OD1-N 3.17Å; N320-E324 PolarHBondContact O-N 2.65Å
321S97.9Very high97.3Very high90 Ų9060.1 Ų60.163%0.62933%0.331SS*.Hα-helixtrans-57.8-32.2-178.159.30000114.1N325S321-N325 WeakPolarHBondContact O-CB 3.35Å; S321-N325 PolarHBondContact O-N 3.41Å
322T97.7Very high97.2Very high68 Ų6865.7 Ų65.742%0.41736%0.355SS..Hα-helixtrans-69.1-40.6177.5-62.90000111.3N320 T326 P433N320-T322 PolarHBondContact O-N 3.13Å; N320-T322 WeakPolarHBondContact OD1-CB 3.35Å; N320-T322 PolarHBondContact OD1-N 2.81Å; T322-T326 WeakPolarHBondContact O-CB 3.28Å; T322-T326 PolarHBondContact O-N 2.96Å; T322-T326 PolarHBondContact O-OG1 3.31Å; T322-P433 HydrophobicContact CG2-CB 4.4Å; T322-P433 HydrophobicContact CG2-CG 3.81Å
323I98.3Very high97.3Very high3 Ų364.6 Ų64.62%0.01534%0.344CS..Hα-helixtrans-66.5-48.2175-62.2161.2000110E278 L279 R319 N320 N325 T326 R327 P433E278-I323 HydrophobicContact CB-CD1 4.15Å; E278-I323 HydrophobicContact CB-CG2 4.14Å; E278-I323 VanDerWaalsContact CD-CG2 3.45Å; E278-I323 HydrophobicContact CG-CG2 3.78Å; E278-I323 WeakPolarHBondContact OE2-CG2 3.22Å; L279-I323 HydrophobicContact CD1-CD1 4Å; L279-I323 HydrophobicContact CG-CD1 4.11Å; R319-I323 HydrophobicContact CG-CB 3.77Å; R319-I323 HydrophobicContact CG-CG2 3.62Å; N320-I323 PolarHBondContact O-N 3.16Å; N320-I323 VanDerWaalsContact O-N 3.08Å; N320-I323 PolarHBondContact OD1-N 3.17Å; I323-N325 VanDerWaalsContact C-N 3.28Å; I323-N325 PolarHBondContact O-N 3.34Å; I323-T326 PolarHBondContact O-N 3.35Å; I323-T326 VanDerWaalsContact O-N 3.1Å; I323-R327 HydrophobicContact CG2-CG 4.24Å; I323-R327 VanDerWaalsContact O-CG 3.3Å; I323-R327 WeakPolarHBondContact O-CG 3.45Å; I323-R327 PolarHBondContact O-N 3.49Å; I323-P433 HydrophobicContact CB-CB 4.33Å; I323-P433 HydrophobicContact CG1-CB 3.84Å
324E97.8Very high97.5Very high86 Ų8660.5 Ų60.540%0.40232%0.322SS..Hα-helixtrans-55.5-45176.5-68.3-174.3171.800112.3R319 N320 T326 R327 R328R319-E324 HydrophobicContact CG-CG 3.83Å; N320-E324 PolarHBondContact O-N 2.65Å; E324-T326 VanDerWaalsContact C-N 3.35Å; E324-T326 PolarHBondContact O-N 3.3Å; E324-R327 PolarHBondContact O-N 2.98Å; E324-R328 WeakPolarHBondContact O-CG 3.25Å; E324-R328 PolarHBondContact O-N 3.34Å; E324-R328 IonicContact OE2-NH2 2.99Å; E324-R328 PolarHBondContact OE2-NH2 2.92Å
325N97.7Very high97.6Very high76 Ų7660.6 Ų60.641%0.40632%0.322SS..Hα-helixtrans-64.3-40.9177.9-167.733.8000112.2S321 I323 R328 H329S321-N325 WeakPolarHBondContact O-CB 3.35Å; S321-N325 PolarHBondContact O-N 3.41Å; I323-N325 VanDerWaalsContact C-N 3.28Å; I323-N325 PolarHBondContact O-N 3.34Å; N325-R328 VanDerWaalsContact CA-NH1 3.32Å; N325-R328 PolarHBondContact O-N 3.44Å; N325-H329 PolarHBondContact O-ND1 3.27Å; N325-H329 PolarHBondContact OD1-CE1 3.47Å
326T98.4Very high97.7Very high3 Ų355.6 Ų55.62%0.01829%0.287CS..Hα-helixtrans-63.9-43.1177.4-58.60000111.4T322 I323 E324 R328 H329 I330 V417 P433 C434T322-T326 WeakPolarHBondContact O-CB 3.28Å; T322-T326 PolarHBondContact O-N 2.96Å; T322-T326 PolarHBondContact O-OG1 3.31Å; I323-T326 PolarHBondContact O-N 3.35Å; I323-T326 VanDerWaalsContact O-N 3.1Å; E324-T326 VanDerWaalsContact C-N 3.35Å; E324-T326 PolarHBondContact O-N 3.3Å; T326-R328 VanDerWaalsContact C-N 3.29Å; T326-R328 PolarHBondContact O-N 2.89Å; T326-H329 PolarHBondContact O-N 2.9Å; T326-I330 PolarHBondContact O-N 3.11Å; T326-V417 HydrophobicContact CG2-CB 3.95Å; T326-V417 HydrophobicContact CG2-CG2 3.96Å; T326-P433 HydrophobicContact CG2-CB 4.1Å; T326-P433 HydrophobicContact CG2-CG 4.43Å; T326-C434 HydrophobicContact CG2-CB 3.93Å
327R98.4Very high97.7Very high25 Ų2554.3 Ų54.39%0.09428%0.28CS..Hα-helixtrans-57.3-38.6177.7-71.3169.159.977.13.8112.9Y276 E278 L311 G312 L314 R319 I323 E324 H329 I330 C434Y276-R327 PolarHBondContact OH-NH1 3Å; E278-R327 WeakPolarHBondContact OE1-CD 3.48Å; E278-R327 IonicContact OE1-CZ 2.71Å; E278-R327 IonicContact OE1-NE 3.27Å; E278-R327 IonicContact OE1-NH1 3.47Å; E278-R327 PolarHBondContact OE1-NH1 2.88Å; E278-R327 VanDerWaalsContact OE1-NH1 3.08Å; L311-R327 VanDerWaalsContact O-CZ 3.3Å; L311-R327 PolarHBondContact O-NH1 2.56Å; L311-R327 PolarHBondContact O-NH2 3.24Å; G312-R327 VanDerWaalsContact C-NH2 3.3Å; G312-R327 VanDerWaalsContact CA-NH2 3.33Å; G312-R327 PolarHBondContact O-NH2 3.26Å; L314-R327 PolarHBondContact O-NH2 3.25Å; R319-R327 VanDerWaalsContact CZ-NE 3.27Å; R319-R327 VanDerWaalsContact NH2-CZ 3.27Å; I323-R327 HydrophobicContact CG2-CG 4.24Å; I323-R327 VanDerWaalsContact O-CG 3.3Å; I323-R327 WeakPolarHBondContact O-CG 3.45Å; I323-R327 PolarHBondContact O-N 3.49Å; E324-R327 PolarHBondContact O-N 2.98Å; R327-H329 PolarHBondContact O-N 3.36Å; R327-I330 HydrophobicContact CG-CD1 4.48Å; R327-I330 WeakPolarHBondContact O-CB 3.32Å; R327-I330 PolarHBondContact O-N 3.46Å; R327-C434 VanDerWaalsContact CG-SG 3.53Å
328R97.9Very high97.6Very high160 Ų16048.4 Ų48.460%0.60424%0.242SC*.Hα-helixtrans-60.7-31.3176.1-65.7177.6-159.7111.19.1112.8E324 N325 T326E324-R328 WeakPolarHBondContact O-CG 3.25Å; E324-R328 PolarHBondContact O-N 3.34Å; E324-R328 IonicContact OE2-NH2 2.99Å; E324-R328 PolarHBondContact OE2-NH2 2.92Å; N325-R328 VanDerWaalsContact CA-NH1 3.32Å; N325-R328 PolarHBondContact O-N 3.44Å; T326-R328 VanDerWaalsContact C-N 3.29Å; T326-R328 PolarHBondContact O-N 2.89Å
329H98.1Very high97.4Very high89 Ų8943.8 Ų43.841%0.41222%0.218SC..Hα-helixtrans-90.7-4.2-177.7-66.485.5000113.5N325 T326 R327 G331 S349 V417N325-H329 PolarHBondContact O-ND1 3.27Å; N325-H329 PolarHBondContact OD1-CE1 3.47Å; T326-H329 PolarHBondContact O-N 2.9Å; R327-H329 PolarHBondContact O-N 3.36Å; H329-G331 VanDerWaalsContact C-N 3.32Å; H329-S349 PolarHBondContact O-OG 2.92Å; H329-V417 HydrophobicContact CB-CG1 4.26Å; H329-V417 HydrophobicContact CB-CG2 3.7Å
330I98.5Very high97Very high1 Ų141.9 Ų41.91%0.00521%0.214CC..Hα-helixtrans-61.1-47.1171.7-61.2176.9000108.9L311 T326 R327 K332 G333 S349 F416 C434L311-I330 HydrophobicContact CD1-CD1 4.06Å; T326-I330 PolarHBondContact O-N 3.11Å; R327-I330 HydrophobicContact CG-CD1 4.48Å; R327-I330 WeakPolarHBondContact O-CB 3.32Å; R327-I330 PolarHBondContact O-N 3.46Å; I330-K332 PolarHBondContact O-N 2.78Å; I330-G333 WeakPolarHBondContact O-CA 3.46Å; I330-G333 PolarHBondContact O-N 3.35Å; I330-S349 WeakPolarHBondContact O-CB 3.41Å; I330-S349 PolarHBondContact O-OG 3.3Å; I330-F416 HydrophobicContact CD1-CB 4.44Å; I330-F416 HydrophobicContact CD1-CD2 4.33Å; I330-F416 HydrophobicContact CD1-CG 4.3Å; I330-F416 HydrophobicContact CG1-CB 3.93Å; I330-F416 HydrophobicContact CG1-CD1 4.4Å; I330-F416 HydrophobicContact CG1-CG 4.08Å; I330-F416 HydrophobicContact CG2-CD1 3.96Å; I330-F416 HydrophobicContact CG2-CE1 4.13Å; I330-F416 HydrophobicContact CG2-CG 4.41Å; I330-C434 HydrophobicContact CD1-CB 4.24Å
331G97.1Very high96.8Very high21 Ų2138.9 Ų38.922%0.21620%0.2CC..THydrogen-bonded Turntrans56.1-124177.800000111.4D297 G298 F299 H329 G333D297-G331 WeakPolarHBondContact CB-O 3.44Å; G298-G331 PolarHBondContact N-O 3.37Å; F299-G331 WeakPolarHBondContact CE2-O 3.23Å; H329-G331 VanDerWaalsContact C-N 3.32Å; G331-G333 PolarHBondContact O-N 3.47Å
332K96.4Very high96.7Very high117 Ų11736.5 Ų36.551%0.50918%0.179SC..THydrogen-bonded Turntrans-70.3-12.3175.1-59.3171.7-169.1144.90113.8L295 F299 I330 L348L295-K332 WeakPolarHBondContact CD1-O 3.36Å; F299-K332 HydrophobicContact CE2-CG 4.12Å; F299-K332 HydrophobicContact CZ-CG 4.4Å; I330-K332 PolarHBondContact O-N 2.78Å; K332-L348 HydrophobicContact CB-CB 3.75Å; K332-L348 WeakPolarHBondContact CB-O 3.39Å
333G98.1Very high96.7Very high0 Ų033.4 Ų33.40%016%0.16CC..  trans63.4-127.8172.800000114.3V296 I330 G331 L348 S349V296-G333 CarbonylContact O-C 3.55Å; V296-G333 VanDerWaalsContact O-CA 3.27Å; V296-G333 WeakPolarHBondContact O-CA 3.49Å; I330-G333 WeakPolarHBondContact O-CA 3.46Å; I330-G333 PolarHBondContact O-N 3.35Å; G331-G333 PolarHBondContact O-N 3.47Å; G333-L348 CarbonylContact O-C 3.45Å; G333-L348 PolarHBondContact O-N 3.03Å; G333-S349 PolarHBondContact O-N 2.88Å
334V98.5Very high96.7Very high0 Ų035.9 Ų35.90%017%0.169CC..EExtended strand (participates in β ladder)trans-125.8137.7-175.361.80000110.9V296 L336 A345 E346 I353 M414 F416 I436V296-V334 HydrophobicContact CB-CG1 3.84Å; V296-V334 HydrophobicContact CG2-CG1 4.3Å; V296-V334 PolarHBondContact N-O 2.82Å; V296-V334 PolarHBondContact O-N 2.72Å; V334-L336 HydrophobicContact CG1-CG 4.5Å; V334-L336 HydrophobicContact CG2-CD2 4.1Å; V334-L336 HydrophobicContact CG2-CG 4.4Å; V334-A345 HydrophobicContact CG2-CB 4.04Å; V334-E346 WeakPolarHBondContact CA-O 3.11Å; V334-E346 WeakPolarHBondContact CG2-O 3.32Å; V334-I353 HydrophobicContact CB-CD1 4.07Å; V334-I353 HydrophobicContact CG2-CD1 3.62Å; V334-M414 HydrophobicContact CB-SD 3.98Å; V334-M414 HydrophobicContact CG1-SD 3.76Å; V334-M414 HydrophobicContact CG2-CE 3.98Å; V334-M414 HydrophobicContact CG2-SD 3.82Å; V334-F416 HydrophobicContact CB-CE1 4.34Å; V334-F416 HydrophobicContact CG1-CE1 3.88Å; V334-F416 HydrophobicContact CG1-CZ 4.01Å; V334-I436 HydrophobicContact CG1-CD1 4.41Å
335H97.7Very high96.7Very high25 Ų2531.8 Ų31.812%0.11615%0.15CC..EExtended strand (participates in β ladder)trans-99.1115.6167.7177.4-152.8000109.3S293 V294 L295 Y337 E346 L348S293-H335 PolarHBondContact OG-NE2 3.44Å; V294-H335 PolarHBondContact O-CD2 2.83Å; L295-H335 HydrophobicContact CD1-CB 4.28Å; H335-Y337 AromaticContact CE1-CD1 3.87Å; H335-Y337 AromaticContact ND1-CD1 3.95Å; H335-E346 HydrophobicContact CB-CB 4.31Å; H335-E346 PolarHBondContact N-O 2.84Å; H335-E346 IonicContact ND1-OE2 3.2Å; H335-E346 PolarHBondContact O-N 3.38Å; H335-L348 HydrophobicContact CB-CD1 3.68Å; H335-L348 HydrophobicContact CB-CG 4.08Å
336L97.9Very high96.7Very high1 Ų130.2 Ų30.21%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-98128.4173.4-62.1172.6000108.5W271 I274 V294 V296 V334 Y344 A345 I382 M414 I438W271-L336 HydrophobicContact CH2-CB 4.14Å; I274-L336 HydrophobicContact CD1-CD1 3.66Å; V294-L336 PolarHBondContact N-O 3.19Å; V294-L336 PolarHBondContact O-N 3.12Å; V296-L336 HydrophobicContact CG2-CD1 4.28Å; V334-L336 HydrophobicContact CG1-CG 4.5Å; V334-L336 HydrophobicContact CG2-CD2 4.1Å; V334-L336 HydrophobicContact CG2-CG 4.4Å; L336-Y344 WeakPolarHBondContact CA-O 3.23Å; L336-A345 HydrophobicContact CD2-CB 3.92Å; L336-I382 HydrophobicContact CD2-CD1 4.13Å; L336-M414 HydrophobicContact CD2-CE 4.05Å; L336-I438 HydrophobicContact CD1-CD1 3.7Å; L336-I438 HydrophobicContact CD1-CG1 4.34Å; L336-I438 HydrophobicContact CD2-CD1 4.11Å
337Y95.5Very high96.7Very high4 Ų430 Ų302%0.01614%0.139CC..EExtended strand (participates in β ladder)trans-136.1138.4175.358.5-89000112.3H101 T292 H335 V339 V343 Y344 E346 S379H101-Y337 HydrophobicContact CB-CD2 3.66Å; H101-Y337 HydrophobicContact CB-CE2 3.4Å; H101-Y337 AromaticContact CD2-CD1 3.64Å; H101-Y337 AromaticContact CD2-CD2 3.63Å; H101-Y337 AromaticContact CD2-CE1 3.26Å; H101-Y337 WeakPolarHBondContact CD2-CE1 3.3Å; H101-Y337 AromaticContact CD2-CE2 3.23Å; H101-Y337 WeakPolarHBondContact CD2-CE2 3.31Å; H101-Y337 AromaticContact CD2-CG 3.82Å; H101-Y337 AromaticContact CD2-CZ 3.04Å; H101-Y337 AromaticContact CE1-CZ 3.47Å; H101-Y337 VanDerWaalsContact CE1-CZ 3.47Å; H101-Y337 PolarHBondContact CE1-OH 3.24Å; H101-Y337 AromaticContact CG-CD2 3.76Å; H101-Y337 AromaticContact CG-CE2 3.16Å; H101-Y337 AromaticContact CG-CZ 3.35Å; H101-Y337 AromaticContact ND1-CE2 3.73Å; H101-Y337 AromaticContact ND1-CZ 3.6Å; H101-Y337 PolarHBondContact ND1-OH 3.34Å; H101-Y337 AromaticContact NE2-CE1 3.29Å; H101-Y337 VanDerWaalsContact NE2-CE1 3.29Å; H101-Y337 WeakPolarHBondContact NE2-CE1 3.29Å; H101-Y337 AromaticContact NE2-CE2 3.86Å; H101-Y337 AromaticContact NE2-CZ 3.17Å; H101-Y337 PolarHBondContact NE2-OH 2.81Å; T292-Y337 CarbonylContact O-C 3.53Å; T292-Y337 WeakPolarHBondContact O-CA 3.25Å; H335-Y337 AromaticContact CE1-CD1 3.87Å; H335-Y337 AromaticContact ND1-CD1 3.95Å; Y337-V339 HydrophobicContact CD2-CG2 3.87Å; Y337-V343 WeakPolarHBondContact O-CA 3.29Å; Y337-Y344 AromaticContact CD2-CD2 3.89Å; Y337-Y344 HydrophobicContact CD2-CD2 3.89Å; Y337-Y344 HydrophobicContact CD2-CG 4.12Å; Y337-Y344 VanDerWaalsContact CE1-CB 3.49Å; Y337-Y344 HydrophobicContact CE1-CG 4.35Å; Y337-Y344 HydrophobicContact CE2-CD1 4.1Å; Y337-Y344 AromaticContact CE2-CD2 3.31Å; Y337-Y344 HydrophobicContact CE2-CD2 3.31Å; Y337-Y344 HydrophobicContact CE2-CE2 4.16Å; Y337-Y344 AromaticContact CE2-CG 3.3Å; Y337-Y344 HydrophobicContact CE2-CG 3.3Å; Y337-Y344 AromaticContact CZ-CD1 3.97Å; Y337-Y344 AromaticContact CZ-CD2 3.98Å; Y337-Y344 AromaticContact CZ-CG 3.43Å; Y337-Y344 VanDerWaalsContact CZ-CG 3.43Å; Y337-Y344 PolarHBondContact N-O 3.07Å; Y337-Y344 VanDerWaalsContact N-O 3.16Å; Y337-Y344 PolarHBondContact O-N 3.02Å; Y337-Y344 VanDerWaalsContact OH-CB 3.24Å; Y337-Y344 WeakPolarHBondContact OH-CB 2.87Å; Y337-Y344 WeakPolarHBondContact OH-CD1 3.38Å; Y337-Y344 VanDerWaalsContact OH-CG 3.32Å; Y337-E346 HydrophobicContact CE1-CB 4.26Å; Y337-S379 PolarHBondContact OH-OG 2.91Å
338Y95.3Very high96.6Very high18 Ų1831.3 Ų31.37%0.07115%0.148CC..EExtended strand (participates in β ladder)trans-108.2113.2177.9176.6-118.1000109.5E267 W271 T292 E342 V343 N385E267-Y338 WeakPolarHBondContact OE1-CE1 3.45Å; E267-Y338 VanDerWaalsContact OE1-CZ 3.23Å; E267-Y338 PolarHBondContact OE1-OH 2.84Å; E267-Y338 PolarHBondContact OE2-OH 2.87Å; W271-Y338 HydrophobicContact CB-CD1 4.22Å; W271-Y338 HydrophobicContact CD2-CG 4.33Å; W271-Y338 HydrophobicContact CE3-CG 4.35Å; W271-Y338 HydrophobicContact CG-CD1 4.35Å; W271-Y338 HydrophobicContact CG-CG 4.44Å; T292-Y338 WeakPolarHBondContact CB-O 3.24Å; T292-Y338 HydrophobicContact CG2-CD1 4.39Å; T292-Y338 PolarHBondContact O-N 2.85Å; Y338-E342 CarbonylContact C-O 3.48Å; Y338-E342 WeakPolarHBondContact CA-O 3.34Å; Y338-E342 WeakPolarHBondContact CD2-O 3.29Å; Y338-V343 HydrophobicContact CD2-CG2 3.84Å; Y338-N385 PolarHBondContact OH-ND2 2.83Å
339V93.1Very high96.6Very high11 Ų1123.9 Ų23.97%0.06712%0.12CC..EExtended strand (participates in β ladder)trans-142.2126.3-175.2-179.30000109.3H101 E102 V130 Y337 G341 E342H101-V339 HydrophobicContact CB-CG2 4.14Å; E102-V339 HydrophobicContact CG-CG1 4.21Å; E102-V339 HydrophobicContact CG-CG2 3.68Å; V130-V339 HydrophobicContact CB-CG1 3.66Å; V130-V339 HydrophobicContact CG1-CG1 3.77Å; V130-V339 HydrophobicContact CG2-CG1 4.19Å; Y337-V339 HydrophobicContact CD2-CG2 3.87Å; V339-G341 VanDerWaalsContact C-N 3.26Å; V339-G341 PolarHBondContact O-N 3.02Å; V339-E342 PolarHBondContact N-O 3.45Å; V339-E342 PolarHBondContact O-N 3.44Å
340G89.2Confident96.6Very high13 Ų1326.4 Ų26.413%0.13414%0.137CC..THydrogen-bonded Turntrans62.229.2173.100000114.6P133 E342P133-G340 WeakPolarHBondContact CD-O 3.26Å; G340-E342 VanDerWaalsContact C-N 3.32Å
341G93Very high96.6Very high6 Ų627.8 Ų27.86%0.06215%0.146CC..THydrogen-bonded Turntrans79.39.9-174.400000114.6S132 V339 N385S132-G341 PolarHBondContact OG-N 2.92Å; V339-G341 VanDerWaalsContact C-N 3.26Å; V339-G341 PolarHBondContact O-N 3.02Å; G341-N385 WeakPolarHBondContact O-CB 3.4Å; G341-N385 VanDerWaalsContact O-CG 3.25Å; G341-N385 PolarHBondContact O-N 3.32Å
342E96.1Very high96.6Very high40 Ų4027.9 Ų27.919%0.18714%0.144CC..EExtended strand (participates in β ladder)trans-117144.1177.3-60.4-173.3130.700110.7Y338 V339 G340 Y344 K381 F383 N384Y338-E342 CarbonylContact C-O 3.48Å; Y338-E342 WeakPolarHBondContact CA-O 3.34Å; Y338-E342 WeakPolarHBondContact CD2-O 3.29Å; V339-E342 PolarHBondContact N-O 3.45Å; V339-E342 PolarHBondContact O-N 3.44Å; G340-E342 VanDerWaalsContact C-N 3.32Å; E342-Y344 HydrophobicContact CB-CD2 4.23Å; E342-Y344 HydrophobicContact CB-CE2 3.55Å; E342-Y344 PolarHBondContact OE2-OH 2.96Å; E342-K381 HydrophobicContact CB-CD 4.24Å; E342-K381 VanDerWaalsContact CD-CD 3.49Å; E342-K381 HydrophobicContact CG-CD 4.12Å; E342-K381 WeakPolarHBondContact OE1-CD 3.3Å; E342-K381 IonicContact OE1-NZ 2.76Å; E342-K381 PolarHBondContact OE1-NZ 3.49Å; E342-F383 CarbonylContact C-O 3.58Å; E342-F383 WeakPolarHBondContact CA-O 3.45Å; E342-N384 HydrophobicContact CG-CB 4.34Å; E342-N384 PolarHBondContact OE1-ND2 2.61Å
343V97.6Very high96.8Very high2 Ų222.3 Ų22.31%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-111.1132.5173.9-173.20000108.9W271 Y337 Y338 I382 F383 L440W271-V343 HydrophobicContact CE3-CG2 4.39Å; W271-V343 HydrophobicContact CH2-CG1 4.14Å; W271-V343 HydrophobicContact CZ3-CG1 3.8Å; W271-V343 HydrophobicContact CZ3-CG2 3.99Å; Y337-V343 WeakPolarHBondContact O-CA 3.29Å; Y338-V343 HydrophobicContact CD2-CG2 3.84Å; V343-I382 HydrophobicContact CB-CG1 4.13Å; V343-I382 HydrophobicContact CG1-CD1 3.87Å; V343-I382 HydrophobicContact CG1-CG1 3.87Å; V343-I382 WeakPolarHBondContact O-CG1 3.44Å; V343-I382 PolarHBondContact O-N 3.26Å; V343-F383 HydrophobicContact CB-CB 3.88Å; V343-F383 HydrophobicContact CG2-CB 4.04Å; V343-F383 PolarHBondContact N-O 2.96Å; V343-F383 PolarHBondContact O-N 3.47Å; V343-F383 VanDerWaalsContact O-N 3.13Å; V343-L440 HydrophobicContact CG2-CD1 4.43Å; V343-L440 HydrophobicContact CG2-CD2 4.08Å
344Y97.8Very high96.8Very high56 Ų5622.8 Ų22.822%0.2212%0.122CC..EExtended strand (participates in β ladder)trans-121.9150177.9-67.2-102.7000111L336 Y337 E342 L380 K381L336-Y344 WeakPolarHBondContact CA-O 3.23Å; Y337-Y344 AromaticContact CD2-CD2 3.89Å; Y337-Y344 HydrophobicContact CD2-CD2 3.89Å; Y337-Y344 HydrophobicContact CD2-CG 4.12Å; Y337-Y344 VanDerWaalsContact CE1-CB 3.49Å; Y337-Y344 HydrophobicContact CE1-CG 4.35Å; Y337-Y344 HydrophobicContact CE2-CD1 4.1Å; Y337-Y344 AromaticContact CE2-CD2 3.31Å; Y337-Y344 HydrophobicContact CE2-CD2 3.31Å; Y337-Y344 HydrophobicContact CE2-CE2 4.16Å; Y337-Y344 AromaticContact CE2-CG 3.3Å; Y337-Y344 HydrophobicContact CE2-CG 3.3Å; Y337-Y344 AromaticContact CZ-CD1 3.97Å; Y337-Y344 AromaticContact CZ-CD2 3.98Å; Y337-Y344 AromaticContact CZ-CG 3.43Å; Y337-Y344 VanDerWaalsContact CZ-CG 3.43Å; Y337-Y344 PolarHBondContact N-O 3.07Å; Y337-Y344 VanDerWaalsContact N-O 3.16Å; Y337-Y344 PolarHBondContact O-N 3.02Å; Y337-Y344 VanDerWaalsContact OH-CB 3.24Å; Y337-Y344 WeakPolarHBondContact OH-CB 2.87Å; Y337-Y344 WeakPolarHBondContact OH-CD1 3.38Å; Y337-Y344 VanDerWaalsContact OH-CG 3.32Å; E342-Y344 HydrophobicContact CB-CD2 4.23Å; E342-Y344 HydrophobicContact CB-CE2 3.55Å; E342-Y344 PolarHBondContact OE2-OH 2.96Å; Y344-L380 CarbonylContact C-O 3.51Å; Y344-L380 VanDerWaalsContact CA-O 3.31Å; Y344-L380 WeakPolarHBondContact CA-O 3.38Å; Y344-K381 HydrophobicContact CD1-CB 3.86Å; Y344-K381 HydrophobicContact CD1-CG 4.46Å; Y344-K381 HydrophobicContact CE1-CB 3.61Å; Y344-K381 HydrophobicContact CE1-CD 4.45Å; Y344-K381 HydrophobicContact CE1-CG 4.12Å; Y344-K381 HydrophobicContact CE2-CG 4.49Å
345A98.4Very high96.8Very high0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-117.5120169.300000109.7V334 L336 I374 S379 L380 I382 M414V334-A345 HydrophobicContact CG2-CB 4.04Å; L336-A345 HydrophobicContact CD2-CB 3.92Å; A345-I374 HydrophobicContact CB-CD1 4.07Å; A345-S379 VanDerWaalsContact O-CA 3.31Å; A345-S379 WeakPolarHBondContact O-CA 3.38Å; A345-L380 PolarHBondContact N-O 3.14Å; A345-L380 PolarHBondContact O-N 3.42Å; A345-I382 HydrophobicContact CB-CD1 4.04Å; A345-I382 HydrophobicContact CB-CG1 4.46Å; A345-I382 HydrophobicContact CB-CG2 3.91Å; A345-M414 HydrophobicContact CB-CE 3.66Å
346E97.7Very high96.8Very high42 Ų4223.2 Ų23.220%0.19612%0.124CC..EExtended strand (participates in β ladder)trans-107.2122.7172.3-176.8-177.8-173.600110.3H101 V334 H335 Y337 L348 C378H101-E346 IonicContact NE2-OE2 3.59Å; V334-E346 WeakPolarHBondContact CA-O 3.11Å; V334-E346 WeakPolarHBondContact CG2-O 3.32Å; H335-E346 HydrophobicContact CB-CB 4.31Å; H335-E346 PolarHBondContact N-O 2.84Å; H335-E346 IonicContact ND1-OE2 3.2Å; H335-E346 PolarHBondContact O-N 3.38Å; Y337-E346 HydrophobicContact CE1-CB 4.26Å; E346-L348 HydrophobicContact CG-CD2 3.9Å; E346-L348 PolarHBondContact O-N 2.99Å; E346-C378 WeakPolarHBondContact CA-O 3.36Å
347C98.2Very high96.8Very high0 Ų023.2 Ų23.20%012%0.124CC..EExtended strand (participates in β ladder)trans-79.7102.4179-174.20000110.2S351 I353 I374 P375 G377 C378C347-S351 PolarHBondContact SG-O 3.3Å; C347-I353 HydrophobicContact CB-CD1 3.86Å; C347-I353 HydrophobicContact CB-CG1 3.98Å; C347-I374 HydrophobicContact CB-CG2 3.88Å; C347-P375 VanDerWaalsContact CB-O 3.27Å; C347-P375 WeakPolarHBondContact CB-O 3.35Å; C347-G377 WeakPolarHBondContact O-CA 3.15Å; C347-G377 PolarHBondContact O-N 3.02Å; C347-C378 PolarHBondContact N-O 3.25Å
348L97.3Very high96.9Very high52 Ų5226 Ų2627%0.27214%0.135SC..  trans-91.5-15.3176.4-60.5-174.9000113.1L295 K332 G333 H335 E346L295-L348 HydrophobicContact CD1-CD1 3.62Å; K332-L348 HydrophobicContact CB-CB 3.75Å; K332-L348 WeakPolarHBondContact CB-O 3.39Å; G333-L348 CarbonylContact O-C 3.45Å; G333-L348 PolarHBondContact O-N 3.03Å; H335-L348 HydrophobicContact CB-CD1 3.68Å; H335-L348 HydrophobicContact CB-CG 4.08Å; E346-L348 HydrophobicContact CG-CD2 3.9Å; E346-L348 PolarHBondContact O-N 2.99Å
349S97.9Very high97Very high4 Ų425.3 Ų25.33%0.02813%0.132CC..SBendtrans-64.3149.9172-176.40000111.2H329 I330 G333 S351 S376H329-S349 PolarHBondContact O-OG 2.92Å; I330-S349 WeakPolarHBondContact O-CB 3.41Å; I330-S349 PolarHBondContact O-OG 3.3Å; G333-S349 PolarHBondContact O-N 2.88Å; S349-S351 VanDerWaalsContact CB-O 3.3Å; S349-S351 WeakPolarHBondContact CB-O 3.18Å; S349-S351 PolarHBondContact O-N 2.92Å; S349-S351 PolarHBondContact OG-N 2.87Å; S349-S351 VanDerWaalsContact OG-N 3.09Å; S349-S351 PolarHBondContact OG-O 3.09Å; S349-S376 WeakPolarHBondContact O-CB 3.19Å; S349-S376 PolarHBondContact O-OG 3.2Å
350D97.8Very high97.2Very high142 Ų14225 Ų2576%0.75913%0.13SC*.SBendtrans-71.2-17.5170-57.5-31000111.2
351S98Very high97.6Very high29 Ų2924.3 Ų24.320%0.20312%0.123CC..SBendtrans-100148.8172.8-65.10000111.4C347 S349C347-S351 PolarHBondContact SG-O 3.3Å; S349-S351 VanDerWaalsContact CB-O 3.3Å; S349-S351 WeakPolarHBondContact CB-O 3.18Å; S349-S351 PolarHBondContact O-N 2.92Å; S349-S351 PolarHBondContact OG-N 2.87Å; S349-S351 VanDerWaalsContact OG-N 3.09Å; S349-S351 PolarHBondContact OG-O 3.09Å
352S98.2Very high97.7Very high23 Ų2328.4 Ų28.416%0.16114%0.137CC..  trans-64.4153.5177.4-52.20000112.9K373 I374 V417S352-K373 WeakPolarHBondContact OG-CE 3.09Å; S352-I374 WeakPolarHBondContact CA-O 3.46Å; S352-I374 WeakPolarHBondContact CB-O 3.45Å; S352-V417 WeakPolarHBondContact O-CA 3.44Å; S352-V417 PolarHBondContact O-N 2.93Å
353I98.7Very high97.7Very high1 Ų130.7 Ų30.71%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-108.7158165.662.3-178000109.7V334 C347 I374 M414 S415 F416V334-I353 HydrophobicContact CB-CD1 4.07Å; V334-I353 HydrophobicContact CG2-CD1 3.62Å; C347-I353 HydrophobicContact CB-CD1 3.86Å; C347-I353 HydrophobicContact CB-CG1 3.98Å; I353-I374 HydrophobicContact CD1-CB 4.21Å; I353-I374 HydrophobicContact CD1-CD1 3.97Å; I353-I374 HydrophobicContact CG1-CB 3.69Å; I353-I374 HydrophobicContact CG1-CD1 4.13Å; I353-I374 HydrophobicContact CG1-CG1 4.3Å; I353-I374 HydrophobicContact CG1-CG2 4.38Å; I353-I374 PolarHBondContact N-O 2.94Å; I353-I374 VanDerWaalsContact N-O 3.09Å; I353-I374 PolarHBondContact O-N 3.23Å; I353-M414 HydrophobicContact CB-CG 4.22Å; I353-M414 HydrophobicContact CB-SD 4.27Å; I353-M414 HydrophobicContact CD1-CE 4.19Å; I353-M414 HydrophobicContact CD1-SD 3.78Å; I353-M414 HydrophobicContact CG1-SD 4.45Å; I353-S415 WeakPolarHBondContact CA-O 3.4Å; I353-F416 HydrophobicContact CG2-CD1 3.88Å; I353-F416 HydrophobicContact CG2-CE1 4.31Å
354F98.5Very high97.5Very high9 Ų933.5 Ų33.54%0.03916%0.161CC..EExtended strand (participates in β ladder)trans-129.6123-175.5-61.3-91.8000108.4V371 C372 K373 M414 S415 K418 G419 W420 Y424F354-V371 HydrophobicContact CB-CG1 3.77Å; F354-C372 CarbonylContact C-O 3.5Å; F354-C372 WeakPolarHBondContact CA-O 3.19Å; F354-K373 HydrophobicContact CD1-CB 3.87Å; F354-K373 HydrophobicContact CD1-CG 4.08Å; F354-K373 HydrophobicContact CE1-CB 3.79Å; F354-K373 HydrophobicContact CE1-CD 3.85Å; F354-K373 HydrophobicContact CE1-CG 3.59Å; F354-K373 HydrophobicContact CZ-CD 4.29Å; F354-K373 HydrophobicContact CZ-CG 4.14Å; F354-M414 CarbonylContact O-C 3.58Å; F354-M414 WeakPolarHBondContact O-CA 3.39Å; F354-S415 PolarHBondContact N-O 2.73Å; F354-S415 PolarHBondContact O-N 2.96Å; F354-K418 VanDerWaalsContact CD2-C 3.46Å; F354-K418 WeakPolarHBondContact CD2-O 3.49Å; F354-K418 VanDerWaalsContact CE2-C 3.46Å; F354-G419 VanDerWaalsContact CD1-CA 3.48Å; F354-G419 VanDerWaalsContact CE2-N 3.26Å; F354-G419 VanDerWaalsContact CG-CA 3.46Å; F354-W420 HydrophobicContact CB-CE3 4.02Å; F354-W420 HydrophobicContact CB-CZ3 3.58Å; F354-W420 WeakPolarHBondContact O-CH2 3.45Å; F354-W420 VanDerWaalsContact O-CZ3 3.28Å; F354-W420 WeakPolarHBondContact O-CZ3 3.47Å; F354-Y424 HydrophobicContact CD1-CE2 4.22Å; F354-Y424 HydrophobicContact CE1-CE1 4.42Å; F354-Y424 HydrophobicContact CE1-CE2 4.01Å; F354-Y424 AromaticContact CE1-CZ 3.66Å; F354-Y424 WeakPolarHBondContact CE1-OH 3.17Å
355V98.4Very high97.3Very high2 Ų234.2 Ų34.21%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-121.1130.1-169.7-176.50000110.4C372 I374 I382 I412 R413 M414V355-C372 PolarHBondContact N-O 2.75Å; V355-C372 PolarHBondContact O-N 3.05Å; V355-I374 HydrophobicContact CB-CD1 4.44Å; V355-I374 HydrophobicContact CG2-CD1 3.53Å; V355-I374 HydrophobicContact CG2-CG1 4.28Å; V355-I382 HydrophobicContact CG1-CG2 3.93Å; V355-I412 HydrophobicContact CG1-CG2 3.71Å; V355-R413 WeakPolarHBondContact CA-O 3.36Å; V355-M414 HydrophobicContact CG2-CB 4.34Å; V355-M414 HydrophobicContact CG2-CE 3.61Å; V355-M414 HydrophobicContact CG2-CG 3.93Å; V355-M414 HydrophobicContact CG2-SD 4.38Å
356Q98.2Very high97.1Very high33 Ų3336.5 Ų36.515%0.15420%0.195CC..EExtended strand (participates in β ladder)trans-111.4103.5165.5-177.9-176.17300107.7T369 V371 R413 W420Q356-T369 PolarHBondContact NE2-O 3.41Å; Q356-V371 HydrophobicContact CB-CG2 4.49Å; Q356-R413 PolarHBondContact N-O 2.96Å; Q356-R413 PolarHBondContact O-N 2.64Å; Q356-R413 VanDerWaalsContact O-N 3.09Å; Q356-W420 HydrophobicContact CB-CH2 4.1Å; Q356-W420 HydrophobicContact CB-CZ2 3.6Å
357S98.2Very high97Very high1 Ų137 Ų371%0.00720%0.198CC..  trans-122.2118.1171.31690000108.4N359 C360 N361 I382S357-N359 VanDerWaalsContact C-N 3.25Å; S357-N359 PolarHBondContact O-N 2.94Å; S357-N359 PolarHBondContact OG-N 2.9Å; S357-C360 PolarHBondContact O-N 2.77Å; S357-C360 PolarHBondContact OG-N 3.09Å; S357-N361 WeakPolarHBondContact O-CB 3.48Å; S357-N361 PolarHBondContact O-N 3.09Å; S357-N361 PolarHBondContact O-ND2 2.94Å; S357-I382 VanDerWaalsContact CB-O 3.29Å; S357-I382 WeakPolarHBondContact CB-O 3.48Å; S357-I382 PolarHBondContact OG-O 3.35Å
358R97.6Very high96.8Very high63 Ų6338.2 Ų38.224%0.23821%0.205CC..Hα-helixtrans-63.7-33.4178.6-63.1-170.7173.4-137.9-6.6112.2N361 Y362 P368 K408 M409R358-N361 PolarHBondContact O-N 2.67Å; R358-Y362 VanDerWaalsContact O-CB 3.3Å; R358-Y362 WeakPolarHBondContact O-CB 3.43Å; R358-Y362 PolarHBondContact O-N 3.29Å; R358-P368 HydrophobicContact CG-CB 4.47Å; R358-K408 WeakPolarHBondContact CD-O 3.35Å; R358-M409 VanDerWaalsContact C-SD 3.58Å; R358-M409 HydrophobicContact CB-CG 4.3Å; R358-M409 HydrophobicContact CB-SD 3.25Å; R358-M409 WeakPolarHBondContact CB-SD 3.48Å; R358-M409 HydrophobicContact CG-SD 4.46Å
359N97.8Very high96.6Very high3 Ų338 Ų382%0.01621%0.206CC..Hα-helixtrans-65.6-47.7174.9-177.3-101.8000111.3S357 N361 Y362 H363 F383 N384 E387 M409S357-N359 VanDerWaalsContact C-N 3.25Å; S357-N359 PolarHBondContact O-N 2.94Å; S357-N359 PolarHBondContact OG-N 2.9Å; N359-N361 VanDerWaalsContact C-N 3.33Å; N359-N361 PolarHBondContact O-N 2.87Å; N359-Y362 PolarHBondContact O-N 3.45Å; N359-H363 PolarHBondContact O-N 2.83Å; N359-F383 HydrophobicContact CB-CD2 3.52Å; N359-F383 HydrophobicContact CB-CE2 3.77Å; N359-F383 HydrophobicContact CB-CG 4.34Å; N359-F383 VanDerWaalsContact OD1-CA 3.28Å; N359-F383 WeakPolarHBondContact OD1-CA 3.17Å; N359-N384 PolarHBondContact OD1-N 3.1Å; N359-E387 PolarHBondContact ND2-OE1 2.86Å; N359-E387 VanDerWaalsContact O-OE1 3.13Å; N359-M409 HydrophobicContact CB-CE 3.85Å
360C97Very high96.5Very high3 Ų338.1 Ų38.12%0.0221%0.206CC..Hα-helixtrans-61-42.3175.3-174.80000112.1S357 H363 H364 K381S357-C360 PolarHBondContact O-N 2.77Å; S357-C360 PolarHBondContact OG-N 3.09Å; C360-H363 PolarHBondContact O-N 2.86Å; C360-H364 PolarHBondContact O-N 3.43Å; C360-H364 PolarHBondContact O-ND1 2.93Å; C360-K381 PolarHBondContact SG-O 3.09Å
361N96.9Very high96.5Very high0 Ų031.5 Ų31.50%017%0.171CC..Hα-helixtrans-63.8-43.9178.7-68.7-14.7000111.2S357 R358 N359 H364 G365 F366 H367 P368 T370S357-N361 WeakPolarHBondContact O-CB 3.48Å; S357-N361 PolarHBondContact O-N 3.09Å; S357-N361 PolarHBondContact O-ND2 2.94Å; R358-N361 PolarHBondContact O-N 2.67Å; N359-N361 VanDerWaalsContact C-N 3.33Å; N359-N361 PolarHBondContact O-N 2.87Å; N361-H364 PolarHBondContact O-N 3.28Å; N361-G365 PolarHBondContact O-N 2.87Å; N361-F366 HydrophobicContact CB-CB 4.1Å; N361-F366 PolarHBondContact O-N 2.74Å; N361-H367 WeakPolarHBondContact CB-O 3.5Å; N361-H367 PolarHBondContact ND2-O 2.88Å; N361-P368 PolarHBondContact ND2-O 3.39Å; N361-T370 PolarHBondContact ND2-N 3.22Å; N361-T370 PolarHBondContact ND2-O 2.94Å
362Y95.6Very high96.5Very high91 Ų9130.1 Ų30.136%0.35716%0.162SC..Hα-helixtrans-59-48174.7178.2-93.8000111.8F156 R358 N359 H364 G365 E387 L391F156-Y362 HydrophobicContact CZ-CD2 4.46Å; R358-Y362 VanDerWaalsContact O-CB 3.3Å; R358-Y362 WeakPolarHBondContact O-CB 3.43Å; R358-Y362 PolarHBondContact O-N 3.29Å; N359-Y362 PolarHBondContact O-N 3.45Å; Y362-H364 PolarHBondContact O-N 2.96Å; Y362-G365 PolarHBondContact O-N 3.37Å; Y362-G365 VanDerWaalsContact O-N 3.1Å; Y362-E387 HydrophobicContact CD1-CG 4.11Å; Y362-E387 WeakPolarHBondContact CD1-OE1 3.43Å; Y362-E387 HydrophobicContact CE1-CG 4.18Å; Y362-L391 HydrophobicContact CD1-CD1 3.87Å; Y362-L391 HydrophobicContact CE1-CD1 3.94Å; Y362-L391 HydrophobicContact CE1-CD2 3.96Å; Y362-L391 HydrophobicContact CE1-CG 4.16Å; Y362-L391 HydrophobicContact CE2-CD2 3.93Å; Y362-L391 HydrophobicContact CG-CD1 4.2Å
363H95.3Very high96.4Very high88 Ų8832 Ų3241%0.40717%0.167SC..Hα-helixtrans-54.5-39178.8-172.376.8000113.6N359 C360 E387N359-H363 PolarHBondContact O-N 2.83Å; C360-H363 PolarHBondContact O-N 2.86Å; H363-E387 WeakPolarHBondContact CB-OE2 3.28Å; H363-E387 IonicContact CE1-OE2 2.78Å; H363-E387 IonicContact CG-OE2 3.32Å; H363-E387 IonicContact ND1-OE2 3.76Å; H363-E387 PolarHBondContact ND1-OE2 2.93Å
364H93.6Very high96.4Very high62 Ų6232 Ų3229%0.28717%0.167SC..THydrogen-bonded Turntrans-96.53.7-177.1-59.994.9000113.5F176 C360 N361 Y362 F366F176-H364 AromaticContact CD1-CD2 3.58Å; F176-H364 AromaticContact CD1-CE1 3.62Å; F176-H364 AromaticContact CD1-CG 3.94Å; F176-H364 AromaticContact CD1-ND1 3.96Å; F176-H364 AromaticContact CD1-NE2 3.38Å; F176-H364 WeakPolarHBondContact CD1-NE2 3.33Å; F176-H364 AromaticContact CE1-CE1 3.69Å; F176-H364 AromaticContact CE1-ND1 3.8Å; F176-H364 AromaticContact CE1-NE2 3.95Å; C360-H364 PolarHBondContact O-N 3.43Å; C360-H364 PolarHBondContact O-ND1 2.93Å; N361-H364 PolarHBondContact O-N 3.28Å; Y362-H364 PolarHBondContact O-N 2.96Å; H364-F366 HydrophobicContact CB-CD1 4.38Å; H364-F366 HydrophobicContact CB-CD2 3.77Å; H364-F366 HydrophobicContact CB-CE1 4.18Å; H364-F366 HydrophobicContact CB-CE2 3.53Å; H364-F366 HydrophobicContact CB-CG 4.18Å; H364-F366 HydrophobicContact CB-CZ 3.75Å; H364-F366 PolarHBondContact O-N 3.09Å
365G94.3Very high96.4Very high70 Ų7033.1 Ų33.172%0.72218%0.175SC*.THydrogen-bonded Turntrans68.420.9-177.500000114.2N361 Y362N361-G365 PolarHBondContact O-N 2.87Å; Y362-G365 PolarHBondContact O-N 3.37Å; Y362-G365 VanDerWaalsContact O-N 3.1Å
366F94.5Very high96.3Very high49 Ų4935.9 Ų35.922%0.21519%0.194CC..  trans-80.8160.5172.9-56.1-32.9000111.2A170 S175 F176 N361 H364 T370A170-F366 HydrophobicContact CB-CD2 4.1Å; A170-F366 HydrophobicContact CB-CE2 3.68Å; A170-F366 HydrophobicContact CB-CZ 3.99Å; S175-F366 WeakPolarHBondContact O-CZ 3.46Å; F176-F366 HydrophobicContact CD1-CE2 4.46Å; F176-F366 HydrophobicContact CE1-CE2 4.02Å; F176-F366 HydrophobicContact CE2-CE2 4.32Å; F176-F366 AromaticContact CZ-CE2 3.96Å; F176-F366 HydrophobicContact CZ-CE2 3.96Å; N361-F366 HydrophobicContact CB-CB 4.1Å; N361-F366 PolarHBondContact O-N 2.74Å; H364-F366 HydrophobicContact CB-CD1 4.38Å; H364-F366 HydrophobicContact CB-CD2 3.77Å; H364-F366 HydrophobicContact CB-CE1 4.18Å; H364-F366 HydrophobicContact CB-CE2 3.53Å; H364-F366 HydrophobicContact CB-CG 4.18Å; H364-F366 HydrophobicContact CB-CZ 3.75Å; H364-F366 PolarHBondContact O-N 3.09Å; F366-T370 HydrophobicContact CB-CG2 4.02Å; F366-T370 HydrophobicContact CD2-CG2 4.21Å; F366-T370 HydrophobicContact CG-CG2 4.25Å
367H94.2Very high96.1Very high53 Ų5337 Ų3725%0.24522%0.215CC..  trans-58.2141.2172.4-171.6-88.3000110.3L159 P167 N361 T369 T370L159-H367 VanDerWaalsContact CD1-CD2 3.46Å; L159-H367 WeakPolarHBondContact CD1-CD2 3.29Å; P167-H367 HydrophobicContact CB-CB 3.31Å; P167-H367 VanDerWaalsContact CB-CG 3.5Å; P167-H367 HydrophobicContact CG-CB 3.81Å; P167-H367 WeakPolarHBondContact CG-ND1 3.39Å; N361-H367 WeakPolarHBondContact CB-O 3.5Å; N361-H367 PolarHBondContact ND2-O 2.88Å; H367-T369 PolarHBondContact CE1-OG1 2.78Å; H367-T369 PolarHBondContact ND1-N 3.19Å; H367-T369 PolarHBondContact ND1-OG1 3.11Å; H367-T369 PolarHBondContact O-N 3.05Å; H367-T370 PolarHBondContact N-OG1 2.96Å; H367-T370 VanDerWaalsContact O-CB 3.26Å; H367-T370 WeakPolarHBondContact O-CB 3.44Å; H367-T370 PolarHBondContact O-N 2.83Å; H367-T370 PolarHBondContact O-OG1 3.23Å
368P93.9Very high96Very high24 Ų2438.5 Ų38.516%0.15623%0.225CC..THydrogen-bonded Turntrans-54.5-26.9-176.2-29.535.3000114.9F156 R358 N361F156-P368 HydrophobicContact CD1-CG 4.22Å; F156-P368 HydrophobicContact CE1-CG 4.49Å; R358-P368 HydrophobicContact CG-CB 4.47Å; N361-P368 PolarHBondContact ND2-O 3.39Å
369T95Very high95.9Very high49 Ų4937.1 Ų37.130%0.30123%0.225SC..THydrogen-bonded Turntrans-97.73.9178.863.10000114.8P167 Q356 H367 V371P167-T369 VanDerWaalsContact CG-OG1 3.25Å; P167-T369 WeakPolarHBondContact CG-OG1 3.48Å; Q356-T369 PolarHBondContact NE2-O 3.41Å; H367-T369 PolarHBondContact CE1-OG1 2.78Å; H367-T369 PolarHBondContact ND1-N 3.19Å; H367-T369 PolarHBondContact ND1-OG1 3.11Å; H367-T369 PolarHBondContact O-N 3.05Å; T369-V371 PolarHBondContact O-N 3.09Å
370T95.5Very high95.9Very high5 Ų537.2 Ų37.23%0.03123%0.226CC..PPolyproline II helixtrans-54.3138.1174.2-72.70000111.2L168 A170 N361 F366 H367L168-T370 WeakPolarHBondContact O-CG2 3.43Å; L168-T370 PolarHBondContact O-OG1 3.47Å; L168-T370 VanDerWaalsContact O-OG1 3.09Å; A170-T370 HydrophobicContact CB-CG2 3.97Å; N361-T370 PolarHBondContact ND2-N 3.22Å; N361-T370 PolarHBondContact ND2-O 2.94Å; F366-T370 HydrophobicContact CB-CG2 4.02Å; F366-T370 HydrophobicContact CD2-CG2 4.21Å; F366-T370 HydrophobicContact CG-CG2 4.25Å; H367-T370 PolarHBondContact N-OG1 2.96Å; H367-T370 VanDerWaalsContact O-CB 3.26Å; H367-T370 WeakPolarHBondContact O-CB 3.44Å; H367-T370 PolarHBondContact O-N 2.83Å; H367-T370 PolarHBondContact O-OG1 3.23Å
371V97.4Very high95.9Very high3 Ų339.6 Ų39.62%0.01824%0.236CC..PPolyproline II helixtrans-102.8122174.9-175.40000109N169 A170 F354 Q356 T369 W420N169-V371 WeakPolarHBondContact CA-O 3.31Å; N169-V371 WeakPolarHBondContact CB-O 3.46Å; N169-V371 WeakPolarHBondContact OD1-CB 3.36Å; A170-V371 PolarHBondContact N-O 2.89Å; F354-V371 HydrophobicContact CB-CG1 3.77Å; Q356-V371 HydrophobicContact CB-CG2 4.49Å; T369-V371 PolarHBondContact O-N 3.09Å; V371-W420 WeakPolarHBondContact CB-O 3.45Å; V371-W420 HydrophobicContact CG1-CD2 4.07Å; V371-W420 HydrophobicContact CG1-CE3 3.88Å; V371-W420 HydrophobicContact CG1-CH2 3.83Å; V371-W420 HydrophobicContact CG1-CZ2 4.03Å; V371-W420 HydrophobicContact CG1-CZ3 3.75Å; V371-W420 HydrophobicContact CG2-CD2 3.87Å; V371-W420 HydrophobicContact CG2-CG 4.22Å; V371-W420 HydrophobicContact CG2-CH2 4.35Å; V371-W420 HydrophobicContact CG2-CZ2 3.69Å; V371-W420 WeakPolarHBondContact CG2-O 3.41Å
372C97.1Very high95.9Very high1 Ų139.7 Ų39.71%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-96.1118.4-179.9-63.80000110.7A170 F176 F354 V355 L380A170-C372 CarbonylContact O-C 3.48Å; A170-C372 VanDerWaalsContact O-CA 3.31Å; A170-C372 WeakPolarHBondContact O-CA 3.37Å; F176-C372 HydrophobicContact CZ-CB 3.97Å; F354-C372 CarbonylContact C-O 3.5Å; F354-C372 WeakPolarHBondContact CA-O 3.19Å; V355-C372 PolarHBondContact N-O 2.75Å; V355-C372 PolarHBondContact O-N 3.05Å; C372-L380 HydrophobicContact CB-CD2 4.16Å
373K97.8Very high96.1Very high63 Ų6335.4 Ų35.427%0.27422%0.219SC..EExtended strand (participates in β ladder)trans-78.2127.3171.5-179.6-177.3177.2-172.30110.3A170 T171 F172 S352 F354A170-K373 PolarHBondContact O-N 3.37Å; T171-K373 HydrophobicContact CG2-CB 4.4Å; T171-K373 HydrophobicContact CG2-CD 4.17Å; F172-K373 WeakPolarHBondContact CB-O 3.26Å; F172-K373 PolarHBondContact N-O 3.1Å; S352-K373 WeakPolarHBondContact OG-CE 3.09Å; F354-K373 HydrophobicContact CD1-CB 3.87Å; F354-K373 HydrophobicContact CD1-CG 4.08Å; F354-K373 HydrophobicContact CE1-CB 3.79Å; F354-K373 HydrophobicContact CE1-CD 3.85Å; F354-K373 HydrophobicContact CE1-CG 3.59Å; F354-K373 HydrophobicContact CZ-CD 4.29Å; F354-K373 HydrophobicContact CZ-CG 4.14Å
374I97.8Very high96.1Very high0 Ų031.9 Ų31.90%020%0.204CC..EExtended strand (participates in β ladder)trans-109.9109.4171.5-51.7172.7000107.9A345 C347 S352 I353 V355 C378 L380A345-I374 HydrophobicContact CB-CD1 4.07Å; C347-I374 HydrophobicContact CB-CG2 3.88Å; S352-I374 WeakPolarHBondContact CA-O 3.46Å; S352-I374 WeakPolarHBondContact CB-O 3.45Å; I353-I374 HydrophobicContact CD1-CB 4.21Å; I353-I374 HydrophobicContact CD1-CD1 3.97Å; I353-I374 HydrophobicContact CG1-CB 3.69Å; I353-I374 HydrophobicContact CG1-CD1 4.13Å; I353-I374 HydrophobicContact CG1-CG1 4.3Å; I353-I374 HydrophobicContact CG1-CG2 4.38Å; I353-I374 PolarHBondContact N-O 2.94Å; I353-I374 VanDerWaalsContact N-O 3.09Å; I353-I374 PolarHBondContact O-N 3.23Å; V355-I374 HydrophobicContact CB-CD1 4.44Å; V355-I374 HydrophobicContact CG2-CD1 3.53Å; V355-I374 HydrophobicContact CG2-CG1 4.28Å; I374-C378 HydrophobicContact CG2-CB 3.8Å; I374-C378 WeakPolarHBondContact CG2-O 3.4Å; I374-L380 HydrophobicContact CD1-CB 3.69Å; I374-L380 HydrophobicContact CD1-CD2 3.97Å; I374-L380 HydrophobicContact CD1-CG 4.43Å; I374-L380 HydrophobicContact CG1-CB 4.05Å; I374-L380 HydrophobicContact CG1-CD2 3.99Å
375P97.8Very high96.2Very high33 Ų3329.2 Ų29.221%0.21419%0.191CC..  trans-65.2164.4175.7-2234.2000113.3F172 C347 G377 C378F172-P375 WeakPolarHBondContact O-CD 3.45Å; F172-P375 VanDerWaalsContact O-CG 3.26Å; F172-P375 WeakPolarHBondContact O-CG 3.23Å; C347-P375 VanDerWaalsContact CB-O 3.27Å; C347-P375 WeakPolarHBondContact CB-O 3.35Å; P375-G377 PolarHBondContact O-N 3.31Å; P375-C378 WeakPolarHBondContact O-CB 3.26Å; P375-C378 PolarHBondContact O-N 3.37Å; P375-C378 VanDerWaalsContact O-N 3.1Å
376S97.1Very high96.2Very high59 Ų5930.1 Ų30.141%0.41318%0.177SC..THydrogen-bonded Turntrans-56.3132.4175.9-174.10000111.4S349 C378S349-S376 WeakPolarHBondContact O-CB 3.19Å; S349-S376 PolarHBondContact O-OG 3.2Å; S376-C378 PolarHBondContact O-N 3.04Å
377G94.3Very high96.3Very high57 Ų5728.8 Ų28.859%0.58817%0.171SC*.THydrogen-bonded Turntrans77.4-0.2-178.900000115.1C347 P375C347-G377 WeakPolarHBondContact O-CA 3.15Å; C347-G377 PolarHBondContact O-N 3.02Å; P375-G377 PolarHBondContact O-N 3.31Å
378C96.2Very high96.4Very high32 Ų3226.3 Ų26.322%0.21616%0.16CC..  trans-89.9152.3174.6-63.60000111.5F172 E346 C347 I374 P375 S376F172-C378 HydrophobicContact CD1-CB 4.01Å; F172-C378 HydrophobicContact CE1-CB 4.36Å; E346-C378 WeakPolarHBondContact CA-O 3.36Å; C347-C378 PolarHBondContact N-O 3.25Å; I374-C378 HydrophobicContact CG2-CB 3.8Å; I374-C378 WeakPolarHBondContact CG2-O 3.4Å; P375-C378 WeakPolarHBondContact O-CB 3.26Å; P375-C378 PolarHBondContact O-N 3.37Å; P375-C378 VanDerWaalsContact O-N 3.1Å; S376-C378 PolarHBondContact O-N 3.04Å
379S95.2Very high96.4Very high35 Ų3525.4 Ų25.425%0.24515%0.154CC..EExtended strand (participates in β ladder)trans-125.8136.8173-170.50000110.2Y337 A345Y337-S379 PolarHBondContact OH-OG 2.91Å; A345-S379 VanDerWaalsContact O-CA 3.31Å; A345-S379 WeakPolarHBondContact O-CA 3.38Å
380L96.7Very high96.4Very high5 Ų528.9 Ų28.93%0.02617%0.167CC..EExtended strand (participates in β ladder)trans-127.1136.8179.4176.561.2000109.8F172 F176 Y344 A345 C372 I374 I382F172-L380 HydrophobicContact CD2-CD1 3.7Å; F172-L380 HydrophobicContact CE2-CD1 3.85Å; F176-L380 HydrophobicContact CD1-CD1 3.87Å; F176-L380 HydrophobicContact CE1-CD1 3.44Å; F176-L380 VanDerWaalsContact CE1-CD1 3.44Å; F176-L380 HydrophobicContact CE1-CD2 4.03Å; F176-L380 HydrophobicContact CE1-CG 4.4Å; F176-L380 HydrophobicContact CZ-CD1 4.04Å; F176-L380 HydrophobicContact CZ-CD2 3.88Å; Y344-L380 CarbonylContact C-O 3.51Å; Y344-L380 VanDerWaalsContact CA-O 3.31Å; Y344-L380 WeakPolarHBondContact CA-O 3.38Å; A345-L380 PolarHBondContact N-O 3.14Å; A345-L380 PolarHBondContact O-N 3.42Å; C372-L380 HydrophobicContact CB-CD2 4.16Å; I374-L380 HydrophobicContact CD1-CB 3.69Å; I374-L380 HydrophobicContact CD1-CD2 3.97Å; I374-L380 HydrophobicContact CD1-CG 4.43Å; I374-L380 HydrophobicContact CG1-CB 4.05Å; I374-L380 HydrophobicContact CG1-CD2 3.99Å; L380-I382 HydrophobicContact CB-CG2 4.48Å; L380-I382 HydrophobicContact CD2-CG2 4.34Å; L380-I382 HydrophobicContact CG-CG2 4.2Å; L380-I382 PolarHBondContact O-N 3.26Å
381K97.2Very high96.4Very high53 Ų5328.8 Ų28.823%0.2317%0.166CC..EExtended strand (participates in β ladder)trans-72.7113.9166.9-175.5172.963.8-1780108.8E342 Y344 C360 N384E342-K381 HydrophobicContact CB-CD 4.24Å; E342-K381 VanDerWaalsContact CD-CD 3.49Å; E342-K381 HydrophobicContact CG-CD 4.12Å; E342-K381 WeakPolarHBondContact OE1-CD 3.3Å; E342-K381 IonicContact OE1-NZ 2.76Å; E342-K381 PolarHBondContact OE1-NZ 3.49Å; Y344-K381 HydrophobicContact CD1-CB 3.86Å; Y344-K381 HydrophobicContact CD1-CG 4.46Å; Y344-K381 HydrophobicContact CE1-CB 3.61Å; Y344-K381 HydrophobicContact CE1-CD 4.45Å; Y344-K381 HydrophobicContact CE1-CG 4.12Å; Y344-K381 HydrophobicContact CE2-CG 4.49Å; C360-K381 PolarHBondContact SG-O 3.09Å; K381-N384 HydrophobicContact CD-CB 4.44Å
382I98.1Very high96.3Very high1 Ų128.6 Ų28.61%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-102-13.3-175.759.5165.7000112.6L336 V343 A345 V355 S357 L380 I412L336-I382 HydrophobicContact CD2-CD1 4.13Å; V343-I382 HydrophobicContact CB-CG1 4.13Å; V343-I382 HydrophobicContact CG1-CD1 3.87Å; V343-I382 HydrophobicContact CG1-CG1 3.87Å; V343-I382 WeakPolarHBondContact O-CG1 3.44Å; V343-I382 PolarHBondContact O-N 3.26Å; A345-I382 HydrophobicContact CB-CD1 4.04Å; A345-I382 HydrophobicContact CB-CG1 4.46Å; A345-I382 HydrophobicContact CB-CG2 3.91Å; V355-I382 HydrophobicContact CG1-CG2 3.93Å; S357-I382 VanDerWaalsContact CB-O 3.29Å; S357-I382 WeakPolarHBondContact CB-O 3.48Å; S357-I382 PolarHBondContact OG-O 3.35Å; L380-I382 HydrophobicContact CB-CG2 4.48Å; L380-I382 HydrophobicContact CD2-CG2 4.34Å; L380-I382 HydrophobicContact CG-CG2 4.2Å; L380-I382 PolarHBondContact O-N 3.26Å; I382-I412 HydrophobicContact CB-CD1 4.3Å; I382-I412 HydrophobicContact CD1-CD1 3.89Å; I382-I412 HydrophobicContact CD1-CG2 4.31Å; I382-I412 HydrophobicContact CG1-CD1 4.12Å
383F98.2Very high96.1Very high1 Ų130.6 Ų30.60%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-155.1146.5174.6-161.5-92.7000112.2E342 V343 N359 N385 F388 M409 I412 L440 P443E342-F383 CarbonylContact C-O 3.58Å; E342-F383 WeakPolarHBondContact CA-O 3.45Å; V343-F383 HydrophobicContact CB-CB 3.88Å; V343-F383 HydrophobicContact CG2-CB 4.04Å; V343-F383 PolarHBondContact N-O 2.96Å; V343-F383 PolarHBondContact O-N 3.47Å; V343-F383 VanDerWaalsContact O-N 3.13Å; N359-F383 HydrophobicContact CB-CD2 3.52Å; N359-F383 HydrophobicContact CB-CE2 3.77Å; N359-F383 HydrophobicContact CB-CG 4.34Å; N359-F383 VanDerWaalsContact OD1-CA 3.28Å; N359-F383 WeakPolarHBondContact OD1-CA 3.17Å; F383-N385 VanDerWaalsContact CE1-OD1 3.24Å; F383-N385 WeakPolarHBondContact CE1-OD1 3.27Å; F383-F388 HydrophobicContact CE1-CB 3.93Å; F383-F388 HydrophobicContact CE1-CG 4.35Å; F383-F388 HydrophobicContact CE2-CD2 4.44Å; F383-F388 HydrophobicContact CZ-CB 3.62Å; F383-F388 HydrophobicContact CZ-CD1 4.47Å; F383-F388 AromaticContact CZ-CD2 3.85Å; F383-F388 HydrophobicContact CZ-CD2 3.85Å; F383-F388 AromaticContact CZ-CG 3.72Å; F383-F388 HydrophobicContact CZ-CG 3.72Å; F383-M409 WeakPolarHBondContact CE2-O 3.31Å; F383-I412 HydrophobicContact CB-CD1 4.17Å; F383-I412 HydrophobicContact CD2-CD1 4.36Å; F383-L440 HydrophobicContact CB-CD1 3.83Å; F383-L440 HydrophobicContact CD1-CD1 3.63Å; F383-L440 HydrophobicContact CD2-CD1 3.35Å; F383-L440 HydrophobicContact CE1-CD1 3.97Å; F383-L440 HydrophobicContact CE2-CD1 3.7Å; F383-L440 HydrophobicContact CG-CD1 3.31Å; F383-L440 HydrophobicContact CZ-CD1 3.99Å; F383-P443 HydrophobicContact CD1-CG 4.49Å; F383-P443 HydrophobicContact CE1-CB 4.34Å; F383-P443 HydrophobicContact CE1-CG 3.51Å; F383-P443 HydrophobicContact CZ-CB 3.95Å; F383-P443 HydrophobicContact CZ-CG 3.61Å
384N96.7Very high95.9Very high15 Ų1531.6 Ų31.68%0.0819%0.188CC..EExtended strand (participates in β ladder)trans-134.9120.5171.2178.1-53.1000110.7E342 N359 K381 Q386 E387 F388E342-N384 HydrophobicContact CG-CB 4.34Å; E342-N384 PolarHBondContact OE1-ND2 2.61Å; N359-N384 PolarHBondContact OD1-N 3.1Å; K381-N384 HydrophobicContact CD-CB 4.44Å; N384-Q386 VanDerWaalsContact C-N 3.34Å; N384-Q386 PolarHBondContact O-N 2.87Å; N384-Q386 WeakPolarHBondContact OD1-CA 3.37Å; N384-Q386 VanDerWaalsContact OD1-CB 3.26Å; N384-Q386 WeakPolarHBondContact OD1-CB 3.49Å; N384-Q386 PolarHBondContact OD1-N 2.88Å; N384-E387 HydrophobicContact CB-CB 4.25Å; N384-E387 PolarHBondContact O-N 2.94Å; N384-E387 PolarHBondContact OD1-N 3.32Å; N384-F388 PolarHBondContact O-N 2.81Å; N384-F388 VanDerWaalsContact O-N 3.08Å
385N95.6Very high95.6Very high5 Ų531.7 Ų31.73%0.02719%0.188CC..Hα-helixtrans-65-31.6-178.5-78-11.6000113.6L135 Y265 Y338 G341 F383 A389L135-N385 HydrophobicContact CD1-CB 3.84Å; L135-N385 HydrophobicContact CD2-CB 4.48Å; Y265-N385 PolarHBondContact OH-ND2 2.89Å; Y338-N385 PolarHBondContact OH-ND2 2.83Å; G341-N385 WeakPolarHBondContact O-CB 3.4Å; G341-N385 VanDerWaalsContact O-CG 3.25Å; G341-N385 PolarHBondContact O-N 3.32Å; F383-N385 VanDerWaalsContact CE1-OD1 3.24Å; F383-N385 WeakPolarHBondContact CE1-OD1 3.27Å; N385-A389 VanDerWaalsContact O-CB 3.31Å; N385-A389 WeakPolarHBondContact O-CB 3.43Å; N385-A389 PolarHBondContact O-N 2.87Å
386Q94.7Very high95.3Very high89 Ų8930.2 Ų30.242%0.41618%0.179SC..Hα-helixtrans-67.9-41.5177.3-62.7-178-30.300111.1P133 L135 N384 A389 Q390P133-Q386 VanDerWaalsContact CB-NE2 3.25Å; P133-Q386 HydrophobicContact CG-CG 3.94Å; L135-Q386 HydrophobicContact CD2-CB 4.3Å; L135-Q386 HydrophobicContact CD2-CG 3.69Å; N384-Q386 VanDerWaalsContact C-N 3.34Å; N384-Q386 PolarHBondContact O-N 2.87Å; N384-Q386 WeakPolarHBondContact OD1-CA 3.37Å; N384-Q386 VanDerWaalsContact OD1-CB 3.26Å; N384-Q386 WeakPolarHBondContact OD1-CB 3.49Å; N384-Q386 PolarHBondContact OD1-N 2.88Å; Q386-A389 WeakPolarHBondContact O-CB 3.36Å; Q386-A389 PolarHBondContact O-N 2.87Å; Q386-Q390 WeakPolarHBondContact O-CG 3.5Å; Q386-Q390 PolarHBondContact O-N 2.92Å
387E94.9Very high94.9Very high22 Ų2232.6 Ų32.610%0.10319%0.187CC..Hα-helixtrans-66.1-42.8176.4-170.8176100.500111.1N359 Y362 H363 N384 A389 Q390 L391N359-E387 PolarHBondContact ND2-OE1 2.86Å; N359-E387 VanDerWaalsContact O-OE1 3.13Å; Y362-E387 HydrophobicContact CD1-CG 4.11Å; Y362-E387 WeakPolarHBondContact CD1-OE1 3.43Å; Y362-E387 HydrophobicContact CE1-CG 4.18Å; H363-E387 WeakPolarHBondContact CB-OE2 3.28Å; H363-E387 IonicContact CE1-OE2 2.78Å; H363-E387 IonicContact CG-OE2 3.32Å; H363-E387 IonicContact ND1-OE2 3.76Å; H363-E387 PolarHBondContact ND1-OE2 2.93Å; N384-E387 HydrophobicContact CB-CB 4.25Å; N384-E387 PolarHBondContact O-N 2.94Å; N384-E387 PolarHBondContact OD1-N 3.32Å; E387-A389 VanDerWaalsContact C-N 3.33Å; E387-A389 PolarHBondContact O-N 2.78Å; E387-Q390 PolarHBondContact O-N 2.87Å; E387-L391 WeakPolarHBondContact O-CG 3.39Å; E387-L391 PolarHBondContact O-N 3.09Å
388F96.8Very high94.5Very high1 Ų131.3 Ų31.30%0.00417%0.165CC..Hα-helixtrans-60.2-42.2172.5-178.9-100.5000112.2F383 N384 Q390 L391 L392 L406 M409 P443 W446 L447F383-F388 HydrophobicContact CE1-CB 3.93Å; F383-F388 HydrophobicContact CE1-CG 4.35Å; F383-F388 HydrophobicContact CE2-CD2 4.44Å; F383-F388 HydrophobicContact CZ-CB 3.62Å; F383-F388 HydrophobicContact CZ-CD1 4.47Å; F383-F388 AromaticContact CZ-CD2 3.85Å; F383-F388 HydrophobicContact CZ-CD2 3.85Å; F383-F388 AromaticContact CZ-CG 3.72Å; F383-F388 HydrophobicContact CZ-CG 3.72Å; N384-F388 PolarHBondContact O-N 2.81Å; N384-F388 VanDerWaalsContact O-N 3.08Å; F388-Q390 VanDerWaalsContact C-N 3.34Å; F388-Q390 PolarHBondContact O-N 2.91Å; F388-L391 PolarHBondContact O-N 2.9Å; F388-L392 HydrophobicContact CE1-CD2 4.03Å; F388-L392 VanDerWaalsContact O-CB 3.3Å; F388-L392 WeakPolarHBondContact O-CB 3.44Å; F388-L392 PolarHBondContact O-N 3.09Å; F388-L406 HydrophobicContact CE2-CB 4.28Å; F388-M409 HydrophobicContact CD2-CB 4.23Å; F388-M409 HydrophobicContact CE2-CB 4.14Å; F388-P443 HydrophobicContact CD1-CB 3.91Å; F388-P443 HydrophobicContact CD1-CG 4.49Å; F388-P443 HydrophobicContact CE1-CB 3.66Å; F388-P443 HydrophobicContact CE2-CB 4.42Å; F388-P443 HydrophobicContact CG-CB 4.39Å; F388-P443 HydrophobicContact CZ-CB 3.93Å; F388-W446 HydrophobicContact CD1-CE3 4.43Å; F388-L447 HydrophobicContact CZ-CB 4.4Å
389A95Very high94.1Very high5 Ų530.3 Ų30.34%0.04116%0.16CC..Hα-helixtrans-58.7-44.6176.700000112.2L135 N385 Q386 E387 L392 A393 W446L135-A389 HydrophobicContact CD2-CB 4.42Å; N385-A389 VanDerWaalsContact O-CB 3.31Å; N385-A389 WeakPolarHBondContact O-CB 3.43Å; N385-A389 PolarHBondContact O-N 2.87Å; Q386-A389 WeakPolarHBondContact O-CB 3.36Å; Q386-A389 PolarHBondContact O-N 2.87Å; E387-A389 VanDerWaalsContact C-N 3.33Å; E387-A389 PolarHBondContact O-N 2.78Å; A389-L392 PolarHBondContact O-N 2.83Å; A389-A393 WeakPolarHBondContact O-CB 3.31Å; A389-A393 PolarHBondContact O-N 2.86Å; A389-W446 HydrophobicContact CB-CH2 3.45Å; A389-W446 VanDerWaalsContact CB-CH2 3.45Å; A389-W446 HydrophobicContact CB-CZ3 3.45Å; A389-W446 VanDerWaalsContact CB-CZ3 3.45Å
390Q94.5Very high93.8Very high121 Ų12130.6 Ų30.657%0.56516%0.157SC*.Hα-helixtrans-63.6-47178.3-70.7168.96.200111.1Q386 E387 F388 L392 A393 Q394Q386-Q390 WeakPolarHBondContact O-CG 3.5Å; Q386-Q390 PolarHBondContact O-N 2.92Å; E387-Q390 PolarHBondContact O-N 2.87Å; F388-Q390 VanDerWaalsContact C-N 3.34Å; F388-Q390 PolarHBondContact O-N 2.91Å; Q390-L392 VanDerWaalsContact C-N 3.35Å; Q390-L392 PolarHBondContact O-N 2.84Å; Q390-A393 PolarHBondContact O-N 2.95Å; Q390-Q394 WeakPolarHBondContact O-CB 3.41Å; Q390-Q394 VanDerWaalsContact O-CG 3.24Å; Q390-Q394 WeakPolarHBondContact O-CG 3.48Å; Q390-Q394 PolarHBondContact O-N 2.91Å
391L94.7Very high93.5Very high3 Ų335 Ų352%0.01618%0.177CC..Hα-helixtrans-61.7-42.2176.7-75.8173.2000112.2Y362 E387 F388 Q394 S395 L406 M409Y362-L391 HydrophobicContact CD1-CD1 3.87Å; Y362-L391 HydrophobicContact CE1-CD1 3.94Å; Y362-L391 HydrophobicContact CE1-CD2 3.96Å; Y362-L391 HydrophobicContact CE1-CG 4.16Å; Y362-L391 HydrophobicContact CE2-CD2 3.93Å; Y362-L391 HydrophobicContact CG-CD1 4.2Å; E387-L391 WeakPolarHBondContact O-CG 3.39Å; E387-L391 PolarHBondContact O-N 3.09Å; F388-L391 PolarHBondContact O-N 2.9Å; L391-Q394 PolarHBondContact O-N 3.22Å; L391-S395 VanDerWaalsContact O-CB 3.22Å; L391-S395 WeakPolarHBondContact O-CB 3.25Å; L391-S395 PolarHBondContact O-N 2.86Å; L391-S395 PolarHBondContact O-OG 2.88Å; L391-L406 HydrophobicContact CB-CD2 4.49Å; L391-M409 HydrophobicContact CD1-CE 3.42Å; L391-M409 VanDerWaalsContact CD1-CE 3.42Å
392L95.6Very high93.3Very high0 Ų032.8 Ų32.80%017%0.169CC..Hα-helixtrans-62.6-49.9176.8-179.755.4000111.1V138 F388 A389 Q390 Q394 S395 V396 V403 L406 W446 L447 V450V138-L392 HydrophobicContact CG1-CG 4.42Å; V138-L392 HydrophobicContact CG2-CB 4.4Å; V138-L392 HydrophobicContact CG2-CD2 3.92Å; V138-L392 HydrophobicContact CG2-CG 3.88Å; F388-L392 HydrophobicContact CE1-CD2 4.03Å; F388-L392 VanDerWaalsContact O-CB 3.3Å; F388-L392 WeakPolarHBondContact O-CB 3.44Å; F388-L392 PolarHBondContact O-N 3.09Å; A389-L392 PolarHBondContact O-N 2.83Å; Q390-L392 VanDerWaalsContact C-N 3.35Å; Q390-L392 PolarHBondContact O-N 2.84Å; L392-Q394 VanDerWaalsContact C-N 3.3Å; L392-Q394 PolarHBondContact O-N 2.77Å; L392-S395 PolarHBondContact O-N 2.8Å; L392-S395 VanDerWaalsContact O-N 3.15Å; L392-V396 WeakPolarHBondContact O-CG2 3.44Å; L392-V396 PolarHBondContact O-N 3.5Å; L392-V396 VanDerWaalsContact O-N 3.15Å; L392-V403 HydrophobicContact CD1-CG1 3.88Å; L392-L406 HydrophobicContact CB-CD1 4.15Å; L392-L406 HydrophobicContact CD1-CD1 3.82Å; L392-W446 HydrophobicContact CD2-CD2 4.02Å; L392-W446 HydrophobicContact CD2-CE3 4.37Å; L392-W446 HydrophobicContact CD2-CG 4.05Å; L392-L447 HydrophobicContact CD1-CD1 3.55Å; L392-V450 HydrophobicContact CD1-CB 4.39Å; L392-V450 HydrophobicContact CD1-CG1 4.15Å; L392-V450 HydrophobicContact CD1-CG2 4.42Å; L392-V450 HydrophobicContact CD2-CG2 4.1Å; L392-V450 HydrophobicContact CG-CG2 4.39Å
393A93.8Very high93Very high42 Ų4232.7 Ų32.735%0.34717%0.168SC..Hα-helixtrans-60.1-39178.100000112.7V138 A389 Q390V138-A393 HydrophobicContact CG2-CB 4.37Å; A389-A393 WeakPolarHBondContact O-CB 3.31Å; A389-A393 PolarHBondContact O-N 2.86Å; Q390-A393 PolarHBondContact O-N 2.95Å
394Q92.5Very high92.8Very high85 Ų8539 Ų3940%0.39719%0.193SC..Hα-helixtrans-68.2-42.8174.7-71169.912.100111.5L152 Q390 L391 L392 V396 N397 H398L152-Q394 HydrophobicContact CD1-CB 4.4Å; Q390-Q394 WeakPolarHBondContact O-CB 3.41Å; Q390-Q394 VanDerWaalsContact O-CG 3.24Å; Q390-Q394 WeakPolarHBondContact O-CG 3.48Å; Q390-Q394 PolarHBondContact O-N 2.91Å; L391-Q394 PolarHBondContact O-N 3.22Å; L392-Q394 VanDerWaalsContact C-N 3.3Å; L392-Q394 PolarHBondContact O-N 2.77Å; Q394-V396 VanDerWaalsContact C-N 3.31Å; Q394-V396 PolarHBondContact O-N 3.48Å; Q394-N397 PolarHBondContact O-N 2.84Å; Q394-H398 PolarHBondContact O-CE1 2.81Å; Q394-H398 VanDerWaalsContact O-CE1 3.25Å; Q394-H398 PolarHBondContact O-ND1 3.26Å
395S92.5Very high92.6Very high2 Ų242 Ų421%0.01421%0.206CC..Hα-helixtrans-67.2-28.6-174.3-62.90000113.5L391 L392 N397 H398 V403L391-S395 VanDerWaalsContact O-CB 3.22Å; L391-S395 WeakPolarHBondContact O-CB 3.25Å; L391-S395 PolarHBondContact O-N 2.86Å; L391-S395 PolarHBondContact O-OG 2.88Å; L392-S395 PolarHBondContact O-N 2.8Å; L392-S395 VanDerWaalsContact O-N 3.15Å; S395-N397 PolarHBondContact O-N 2.93Å; S395-H398 WeakPolarHBondContact O-CA 3.46Å; S395-H398 WeakPolarHBondContact O-CB 3.48Å; S395-H398 PolarHBondContact O-N 2.93Å; S395-V403 VanDerWaalsContact C-CG2 3.48Å; S395-V403 WeakPolarHBondContact O-CG2 3.27Å
396V91.4Very high92.6Very high2 Ų242 Ų421%0.01221%0.207CC..Hα-helixtrans-54.7-39.1176168.60000112.1V138 V140 L392 Q394 H398 G399 V403 V450 M454V138-V396 HydrophobicContact CG1-CG2 3.67Å; V140-V396 HydrophobicContact CG1-CG1 4.33Å; V140-V396 HydrophobicContact CG2-CG1 4.47Å; L392-V396 WeakPolarHBondContact O-CG2 3.44Å; L392-V396 PolarHBondContact O-N 3.5Å; L392-V396 VanDerWaalsContact O-N 3.15Å; Q394-V396 VanDerWaalsContact C-N 3.31Å; Q394-V396 PolarHBondContact O-N 3.48Å; V396-H398 PolarHBondContact O-N 2.79Å; V396-G399 PolarHBondContact O-N 2.98Å; V396-V403 HydrophobicContact CG2-CG2 4.16Å; V396-V450 HydrophobicContact CG2-CG1 3.54Å; V396-M454 HydrophobicContact CG1-CE 4.44Å; V396-M454 HydrophobicContact CG1-SD 4.5Å; V396-M454 HydrophobicContact CG2-SD 4.3Å; V396-M454 WeakPolarHBondContact O-CE 3.4Å
397N87.3Confident92.7Very high109 Ų10940 Ų4058%0.58320%0.2SC*.THydrogen-bonded Turntrans-73.1-10178.9-57.7-53.2000113.5Q394 S395Q394-N397 PolarHBondContact O-N 2.84Å; S395-N397 PolarHBondContact O-N 2.93Å
398H86.8Confident92.7Very high29 Ų2943.1 Ų43.113%0.13421%0.214CC..THydrogen-bonded Turntrans-103.29.9-179.4-57.798.7000113H150 Q394 S395 V396 T402H150-H398 PolarHBondContact O-CD2 3.09Å; H150-H398 PolarHBondContact O-NE2 2.64Å; Q394-H398 PolarHBondContact O-CE1 2.81Å; Q394-H398 VanDerWaalsContact O-CE1 3.25Å; Q394-H398 PolarHBondContact O-ND1 3.26Å; S395-H398 WeakPolarHBondContact O-CA 3.46Å; S395-H398 WeakPolarHBondContact O-CB 3.48Å; S395-H398 PolarHBondContact O-N 2.93Å; V396-H398 PolarHBondContact O-N 2.79Å; H398-T402 HydrophobicContact CB-CG2 3.95Å; H398-T402 PolarHBondContact O-OG1 3.4Å; H398-T402 VanDerWaalsContact O-OG1 3.06Å
399G87.5Confident92.6Very high11 Ų1143.4 Ų43.411%0.11322%0.215CC..  trans87.5171.9174.200000115.2V396 E401 T402 V403V396-G399 PolarHBondContact O-N 2.98Å; G399-E401 PolarHBondContact O-N 3.28Å; G399-T402 PolarHBondContact O-N 3.01Å; G399-V403 PolarHBondContact O-N 2.61Å
400F90Very high92.8Very high42 Ų4243.2 Ų43.218%0.18421%0.213CC..Hα-helixtrans-57.3-45-170.2-177-83.1000113.4T402 V403 Y404 L451 M454 G455 P457F400-T402 VanDerWaalsContact C-N 3.32Å; F400-T402 PolarHBondContact O-N 3.4Å; F400-V403 PolarHBondContact O-N 2.8Å; F400-Y404 HydrophobicContact CE1-CD2 4.14Å; F400-Y404 HydrophobicContact CE1-CG 4.29Å; F400-Y404 HydrophobicContact CZ-CD2 4.4Å; F400-Y404 WeakPolarHBondContact O-CB 3.4Å; F400-Y404 PolarHBondContact O-N 3.24Å; F400-L451 HydrophobicContact CD2-CD2 3.97Å; F400-L451 HydrophobicContact CE1-CD2 4.45Å; F400-L451 HydrophobicContact CE2-CB 4.42Å; F400-L451 HydrophobicContact CE2-CD2 3.71Å; F400-L451 HydrophobicContact CG-CD2 4.46Å; F400-L451 HydrophobicContact CZ-CD2 3.97Å; F400-M454 HydrophobicContact CD2-CB 4.13Å; F400-G455 WeakPolarHBondContact CD2-O 3.33Å; F400-G455 WeakPolarHBondContact CE2-O 3.25Å; F400-P457 HydrophobicContact CD1-CB 4.33Å; F400-P457 HydrophobicContact CD1-CG 3.65Å; F400-P457 HydrophobicContact CE1-CG 3.59Å; F400-P457 HydrophobicContact CG-CG 4.49Å; F400-P457 HydrophobicContact CZ-CG 4.37Å
401E90.3Very high92.9Very high96 Ų9638.7 Ų38.745%0.44919%0.194SC..Hα-helixtrans-61.6-39.9-176.5-65.3-176.5174.600112.3G399 Y404 E405G399-E401 PolarHBondContact O-N 3.28Å; E401-Y404 PolarHBondContact O-N 2.84Å; E401-E405 WeakPolarHBondContact O-CG 3.47Å; E401-E405 PolarHBondContact O-N 3.4Å
402T91.3Very high93.1Very high7 Ų738.5 Ų38.54%0.04319%0.193CC..Hα-helixtrans-64.7-43.2178.6-51.30000111H398 G399 F400 E405H398-T402 HydrophobicContact CB-CG2 3.95Å; H398-T402 PolarHBondContact O-OG1 3.4Å; H398-T402 VanDerWaalsContact O-OG1 3.06Å; G399-T402 PolarHBondContact O-N 3.01Å; F400-T402 VanDerWaalsContact C-N 3.32Å; F400-T402 PolarHBondContact O-N 3.4Å; T402-E405 PolarHBondContact O-N 2.76Å
403V93.2Very high93.3Very high0 Ų042.8 Ų42.80%021%0.209CC..Hα-helixtrans-66.3-44.7175.6179.40000110.3L392 S395 V396 G399 F400 E405 L406 L447 V450 L451 M454L392-V403 HydrophobicContact CD1-CG1 3.88Å; S395-V403 VanDerWaalsContact C-CG2 3.48Å; S395-V403 WeakPolarHBondContact O-CG2 3.27Å; V396-V403 HydrophobicContact CG2-CG2 4.16Å; G399-V403 PolarHBondContact O-N 2.61Å; F400-V403 PolarHBondContact O-N 2.8Å; V403-E405 VanDerWaalsContact C-N 3.28Å; V403-E405 PolarHBondContact O-N 3Å; V403-L406 VanDerWaalsContact O-CB 3.24Å; V403-L406 WeakPolarHBondContact O-CB 3.5Å; V403-L406 PolarHBondContact O-N 3.45Å; V403-L447 HydrophobicContact CG1-CD1 3.48Å; V403-L447 VanDerWaalsContact CG1-CD1 3.48Å; V403-L447 WeakPolarHBondContact O-CD1 3.28Å; V403-V450 HydrophobicContact CG1-CG1 4.06Å; V403-L451 HydrophobicContact CB-CD2 3.91Å; V403-L451 HydrophobicContact CG1-CD2 3.55Å; V403-L451 HydrophobicContact CG1-CG 3.84Å; V403-M454 HydrophobicContact CB-SD 3.96Å; V403-M454 HydrophobicContact CG1-SD 4.17Å; V403-M454 HydrophobicContact CG2-CE 4.03Å; V403-M454 HydrophobicContact CG2-SD 3.57Å; V403-M454 VanDerWaalsContact CG2-SD 3.57Å
404Y93.3Very high93.5Very high133 Ų13340.8 Ų40.852%0.52219%0.193SC..Hα-helixtrans-59.7-38.5179-173.3-95.7000112.4F400 E401 L406 T407 L451F400-Y404 HydrophobicContact CE1-CD2 4.14Å; F400-Y404 HydrophobicContact CE1-CG 4.29Å; F400-Y404 HydrophobicContact CZ-CD2 4.4Å; F400-Y404 WeakPolarHBondContact O-CB 3.4Å; F400-Y404 PolarHBondContact O-N 3.24Å; E401-Y404 PolarHBondContact O-N 2.84Å; Y404-L406 PolarHBondContact O-N 2.72Å; Y404-T407 WeakPolarHBondContact O-CB 3.24Å; Y404-T407 PolarHBondContact O-N 2.85Å; Y404-T407 PolarHBondContact O-OG1 2.95Å; Y404-L451 HydrophobicContact CD2-CD1 4.14Å
405E93.4Very high93.8Very high77 Ų7736.8 Ų36.836%0.3617%0.174SC..Hα-helixtrans-61.1-26.3174.9-82.1-69.7132.300113.6E401 T402 V403 T407 K408E401-E405 WeakPolarHBondContact O-CG 3.47Å; E401-E405 PolarHBondContact O-N 3.4Å; T402-E405 PolarHBondContact O-N 2.76Å; V403-E405 VanDerWaalsContact C-N 3.28Å; V403-E405 PolarHBondContact O-N 3Å; E405-T407 PolarHBondContact O-N 2.81Å; E405-T407 VanDerWaalsContact O-N 3.12Å; E405-K408 WeakPolarHBondContact O-CB 3.18Å; E405-K408 PolarHBondContact O-N 3.44Å; E405-K408 WeakPolarHBondContact OE1-CE 2.94Å; E405-K408 IonicContact OE1-NZ 2.87Å; E405-K408 PolarHBondContact OE1-NZ 3.17Å; E405-K408 WeakPolarHBondContact OE2-CD 3.46Å; E405-K408 WeakPolarHBondContact OE2-CE 3.27Å; E405-K408 IonicContact OE2-NZ 2.75Å; E405-K408 PolarHBondContact OE2-NZ 3.31Å
406L95.1Very high94.1Very high7 Ų736.7 Ų36.74%0.03717%0.173CC..G310 helixtrans-63.3-15173.7-64.6176.8000113F388 L391 L392 V403 Y404 K408 M409 L447F388-L406 HydrophobicContact CE2-CB 4.28Å; L391-L406 HydrophobicContact CB-CD2 4.49Å; L392-L406 HydrophobicContact CB-CD1 4.15Å; L392-L406 HydrophobicContact CD1-CD1 3.82Å; V403-L406 VanDerWaalsContact O-CB 3.24Å; V403-L406 WeakPolarHBondContact O-CB 3.5Å; V403-L406 PolarHBondContact O-N 3.45Å; Y404-L406 PolarHBondContact O-N 2.72Å; L406-K408 PolarHBondContact O-N 2.91Å; L406-K408 VanDerWaalsContact O-N 3.15Å; L406-M409 HydrophobicContact CD2-CG 3.96Å; L406-M409 WeakPolarHBondContact O-CA 3.34Å; L406-M409 VanDerWaalsContact O-CB 3.23Å; L406-M409 WeakPolarHBondContact O-CB 3.17Å; L406-M409 PolarHBondContact O-N 3.46Å; L406-L447 HydrophobicContact CB-CD1 4.01Å; L406-L447 HydrophobicContact CB-CD2 4.31Å; L406-L447 HydrophobicContact CD1-CD1 4.4Å
407T96Very high94.4Very high46 Ų4638 Ų3828%0.28218%0.181SC..G310 helixtrans-52.8-36.7170.1-54.20000110.7Y404 E405 M409 C410 L444 L447Y404-T407 WeakPolarHBondContact O-CB 3.24Å; Y404-T407 PolarHBondContact O-N 2.85Å; Y404-T407 PolarHBondContact O-OG1 2.95Å; E405-T407 PolarHBondContact O-N 2.81Å; E405-T407 VanDerWaalsContact O-N 3.12Å; T407-M409 PolarHBondContact O-N 2.79Å; T407-C410 PolarHBondContact O-N 2.83Å; T407-C410 VanDerWaalsContact O-N 3.11Å; T407-L444 HydrophobicContact CG2-CD2 4.11Å; T407-L447 VanDerWaalsContact N-CD2 3.35Å; T407-L447 WeakPolarHBondContact OG1-CD2 3.2Å
408K95.9Very high94.9Very high88 Ų8836.4 Ų36.438%0.38317%0.169SC..G310 helixtrans-68.2-20.7178.2-59.4178.3-173.5159.50113.1R358 E405 L406 C410R358-K408 WeakPolarHBondContact CD-O 3.35Å; E405-K408 WeakPolarHBondContact O-CB 3.18Å; E405-K408 PolarHBondContact O-N 3.44Å; E405-K408 WeakPolarHBondContact OE1-CE 2.94Å; E405-K408 IonicContact OE1-NZ 2.87Å; E405-K408 PolarHBondContact OE1-NZ 3.17Å; E405-K408 WeakPolarHBondContact OE2-CD 3.46Å; E405-K408 WeakPolarHBondContact OE2-CE 3.27Å; E405-K408 IonicContact OE2-NZ 2.75Å; E405-K408 PolarHBondContact OE2-NZ 3.31Å; L406-K408 PolarHBondContact O-N 2.91Å; L406-K408 VanDerWaalsContact O-N 3.15Å; K408-C410 VanDerWaalsContact C-N 3.34Å
409M95.4Very high95.4Very high7 Ų735.2 Ų35.23%0.03416%0.164CC..G310 helixtrans-73.6-29.2173.8-64-82.2-74.200111.6R358 N359 F383 F388 L391 L406 T407 T411R358-M409 VanDerWaalsContact C-SD 3.58Å; R358-M409 HydrophobicContact CB-CG 4.3Å; R358-M409 HydrophobicContact CB-SD 3.25Å; R358-M409 WeakPolarHBondContact CB-SD 3.48Å; R358-M409 HydrophobicContact CG-SD 4.46Å; N359-M409 HydrophobicContact CB-CE 3.85Å; F383-M409 WeakPolarHBondContact CE2-O 3.31Å; F388-M409 HydrophobicContact CD2-CB 4.23Å; F388-M409 HydrophobicContact CE2-CB 4.14Å; L391-M409 HydrophobicContact CD1-CE 3.42Å; L391-M409 VanDerWaalsContact CD1-CE 3.42Å; L406-M409 HydrophobicContact CD2-CG 3.96Å; L406-M409 WeakPolarHBondContact O-CA 3.34Å; L406-M409 VanDerWaalsContact O-CB 3.23Å; L406-M409 WeakPolarHBondContact O-CB 3.17Å; L406-M409 PolarHBondContact O-N 3.46Å; T407-M409 PolarHBondContact O-N 2.79Å; M409-T411 PolarHBondContact O-N 2.86Å
410C97.7Very high95.9Very high0 Ų035 Ų350%016%0.16CC..SBendtrans-81.1-3.3-178.4-47.90000113.7T407 K408 L440 P443 L444T407-C410 PolarHBondContact O-N 2.83Å; T407-C410 VanDerWaalsContact O-N 3.11Å; K408-C410 VanDerWaalsContact C-N 3.34Å; C410-L440 PolarHBondContact O-N 3.34Å; C410-P443 HydrophobicContact CB-CB 4.28Å; C410-L444 HydrophobicContact CB-CD1 4.43Å; C410-L444 HydrophobicContact CB-CD2 3.57Å; C410-L444 HydrophobicContact CB-CG 3.58Å
411T98.1Very high96.1Very high26 Ų2633.2 Ų33.216%0.1615%0.153CC..EExtended strand (participates in β ladder)trans-112.5124.2176.9-59.40000110.4M409 E437 I438 H439M409-T411 PolarHBondContact O-N 2.86Å; T411-E437 HydrophobicContact CG2-CG 3.43Å; T411-E437 VanDerWaalsContact CG2-CG 3.43Å; T411-I438 WeakPolarHBondContact CA-O 3.5Å; T411-H439 PolarHBondContact OG1-CD2 2.74Å
412I98.6Very high95.8Very high0 Ų030.4 Ų30.40%015%0.147CC..EExtended strand (participates in β ladder)trans-115.8132.4177.6-59.5173.6000108.7V355 I382 F383 I438 L440V355-I412 HydrophobicContact CG1-CG2 3.71Å; I382-I412 HydrophobicContact CB-CD1 4.3Å; I382-I412 HydrophobicContact CD1-CD1 3.89Å; I382-I412 HydrophobicContact CD1-CG2 4.31Å; I382-I412 HydrophobicContact CG1-CD1 4.12Å; F383-I412 HydrophobicContact CB-CD1 4.17Å; F383-I412 HydrophobicContact CD2-CD1 4.36Å; I412-I438 HydrophobicContact CB-CB 4.32Å; I412-I438 HydrophobicContact CG2-CD1 4.49Å; I412-I438 PolarHBondContact N-O 3.13Å; I412-I438 PolarHBondContact O-N 3.03Å; I412-L440 HydrophobicContact CD1-CD1 4.1Å
413R98.7Very high95.4Very high90 Ų9035.1 Ų35.134%0.3417%0.168SC..EExtended strand (participates in β ladder)trans-109.7137.4177.2-61.6-172.3-178.4144.2-5.2110.6V355 Q356 W435 I436 E437V355-R413 WeakPolarHBondContact CA-O 3.36Å; Q356-R413 PolarHBondContact N-O 2.96Å; Q356-R413 PolarHBondContact O-N 2.64Å; Q356-R413 VanDerWaalsContact O-N 3.09Å; R413-W435 HydrophobicContact CG-CZ3 4.22Å; R413-I436 WeakPolarHBondContact CA-O 3.25Å; R413-E437 HydrophobicContact CG-CG 4.28Å; R413-E437 IonicContact CZ-OE2 3.23Å; R413-E437 IonicContact NE-OE2 3.46Å; R413-E437 PolarHBondContact NE-OE2 3.3Å; R413-E437 IonicContact NH2-OE2 2.72Å; R413-E437 PolarHBondContact NH2-OE2 3.05Å
414M98.7Very high95.3Very high0 Ų038.1 Ų38.10%018%0.18CC..EExtended strand (participates in β ladder)trans-139.2124.1-178.7179.8-173.1-58.800111.9V334 L336 A345 I353 F354 V355 W435 I436 I438V334-M414 HydrophobicContact CB-SD 3.98Å; V334-M414 HydrophobicContact CG1-SD 3.76Å; V334-M414 HydrophobicContact CG2-CE 3.98Å; V334-M414 HydrophobicContact CG2-SD 3.82Å; L336-M414 HydrophobicContact CD2-CE 4.05Å; A345-M414 HydrophobicContact CB-CE 3.66Å; I353-M414 HydrophobicContact CB-CG 4.22Å; I353-M414 HydrophobicContact CB-SD 4.27Å; I353-M414 HydrophobicContact CD1-CE 4.19Å; I353-M414 HydrophobicContact CD1-SD 3.78Å; I353-M414 HydrophobicContact CG1-SD 4.45Å; F354-M414 CarbonylContact O-C 3.58Å; F354-M414 WeakPolarHBondContact O-CA 3.39Å; V355-M414 HydrophobicContact CG2-CB 4.34Å; V355-M414 HydrophobicContact CG2-CE 3.61Å; V355-M414 HydrophobicContact CG2-CG 3.93Å; V355-M414 HydrophobicContact CG2-SD 4.38Å; M414-W435 CarbonylContact O-C 3.45Å; M414-W435 WeakPolarHBondContact O-CA 3.33Å; M414-W435 VanDerWaalsContact O-CB 3.26Å; M414-W435 WeakPolarHBondContact O-CB 3.19Å; M414-I436 HydrophobicContact CB-CD1 4.4Å; M414-I436 HydrophobicContact CB-CG1 3.9Å; M414-I436 PolarHBondContact N-O 3.02Å; M414-I436 PolarHBondContact O-N 2.97Å; M414-I436 HydrophobicContact SD-CD1 4.25Å; M414-I438 HydrophobicContact CE-CD1 4.44Å
415S98.7Very high95.3Very high0 Ų040.5 Ų40.50%020%0.196CC..EExtended strand (participates in β ladder)trans-99.4144.6173.7176.50000111.3I353 F354 K418 W420 T432 C434I353-S415 WeakPolarHBondContact CA-O 3.4Å; F354-S415 PolarHBondContact N-O 2.73Å; F354-S415 PolarHBondContact O-N 2.96Å; S415-K418 WeakPolarHBondContact CB-O 3.26Å; S415-K418 PolarHBondContact OG-O 3.09Å; S415-W420 VanDerWaalsContact CB-CZ3 3.44Å; S415-T432 WeakPolarHBondContact OG-CB 3.38Å; S415-C434 PolarHBondContact OG-O 3.24Å
416F98.7Very high95.4Very high1 Ų140 Ų400%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-95135.8172.8-61.2-84.8000110.5V296 L311 I330 V334 I353 K418 C434 I436V296-F416 HydrophobicContact CG1-CZ 4Å; L311-F416 HydrophobicContact CD1-CD2 4.43Å; L311-F416 HydrophobicContact CD1-CE2 3.76Å; L311-F416 HydrophobicContact CD1-CZ 4.09Å; I330-F416 HydrophobicContact CD1-CB 4.44Å; I330-F416 HydrophobicContact CD1-CD2 4.33Å; I330-F416 HydrophobicContact CD1-CG 4.3Å; I330-F416 HydrophobicContact CG1-CB 3.93Å; I330-F416 HydrophobicContact CG1-CD1 4.4Å; I330-F416 HydrophobicContact CG1-CG 4.08Å; I330-F416 HydrophobicContact CG2-CD1 3.96Å; I330-F416 HydrophobicContact CG2-CE1 4.13Å; I330-F416 HydrophobicContact CG2-CG 4.41Å; V334-F416 HydrophobicContact CB-CE1 4.34Å; V334-F416 HydrophobicContact CG1-CE1 3.88Å; V334-F416 HydrophobicContact CG1-CZ 4.01Å; I353-F416 HydrophobicContact CG2-CD1 3.88Å; I353-F416 HydrophobicContact CG2-CE1 4.31Å; F416-K418 PolarHBondContact O-N 2.95Å; F416-C434 HydrophobicContact CB-CB 4.42Å; F416-C434 HydrophobicContact CD2-CB 4.38Å; F416-C434 PolarHBondContact N-O 3.18Å; F416-I436 HydrophobicContact CE2-CD1 4.42Å; F416-I436 HydrophobicContact CE2-CG1 4.18Å; F416-I436 HydrophobicContact CE2-CG2 3.95Å; F416-I436 HydrophobicContact CZ-CD1 4.17Å; F416-I436 HydrophobicContact CZ-CG1 4.4Å
417V98.3Very high95.4Very high29 Ų2944.8 Ų44.818%0.17621%0.213CC..SBendtrans68.2-41.3170.9-1690000114.8T326 H329 S352T326-V417 HydrophobicContact CG2-CB 3.95Å; T326-V417 HydrophobicContact CG2-CG2 3.96Å; H329-V417 HydrophobicContact CB-CG1 4.26Å; H329-V417 HydrophobicContact CB-CG2 3.7Å; S352-V417 WeakPolarHBondContact O-CA 3.44Å; S352-V417 PolarHBondContact O-N 2.93Å
418K97.8Very high95.4Very high75 Ų7546.5 Ų46.533%0.32622%0.22SC..  trans-112123.5-174.4-56-56.6-177.3-175.40110.9F354 S415 F416 P433F354-K418 VanDerWaalsContact CD2-C 3.46Å; F354-K418 WeakPolarHBondContact CD2-O 3.49Å; F354-K418 VanDerWaalsContact CE2-C 3.46Å; S415-K418 WeakPolarHBondContact CB-O 3.26Å; S415-K418 PolarHBondContact OG-O 3.09Å; F416-K418 PolarHBondContact O-N 2.95Å; K418-P433 HydrophobicContact CG-CG 4.05Å
419G96.5Very high95.5Very high4 Ų442.4 Ų42.44%0.04120%0.203CC..  trans-77.8162.9172.700000113.2F354F354-G419 VanDerWaalsContact CD1-CA 3.48Å; F354-G419 VanDerWaalsContact CE2-N 3.26Å; F354-G419 VanDerWaalsContact CG-CA 3.46Å
420W97.8Very high95.6Very high7 Ų744.7 Ų44.73%0.02722%0.217CC..  trans-141165.2169.180.7100000109N169 F354 Q356 V371 S415 Y424 R426 V429 T432N169-W420 PolarHBondContact ND2-O 3.34Å; F354-W420 HydrophobicContact CB-CE3 4.02Å; F354-W420 HydrophobicContact CB-CZ3 3.58Å; F354-W420 WeakPolarHBondContact O-CH2 3.45Å; F354-W420 VanDerWaalsContact O-CZ3 3.28Å; F354-W420 WeakPolarHBondContact O-CZ3 3.47Å; Q356-W420 HydrophobicContact CB-CH2 4.1Å; Q356-W420 HydrophobicContact CB-CZ2 3.6Å; V371-W420 WeakPolarHBondContact CB-O 3.45Å; V371-W420 HydrophobicContact CG1-CD2 4.07Å; V371-W420 HydrophobicContact CG1-CE3 3.88Å; V371-W420 HydrophobicContact CG1-CH2 3.83Å; V371-W420 HydrophobicContact CG1-CZ2 4.03Å; V371-W420 HydrophobicContact CG1-CZ3 3.75Å; V371-W420 HydrophobicContact CG2-CD2 3.87Å; V371-W420 HydrophobicContact CG2-CG 4.22Å; V371-W420 HydrophobicContact CG2-CH2 4.35Å; V371-W420 HydrophobicContact CG2-CZ2 3.69Å; V371-W420 WeakPolarHBondContact CG2-O 3.41Å; S415-W420 VanDerWaalsContact CB-CZ3 3.44Å; W420-Y424 VanDerWaalsContact O-CD2 3.29Å; W420-Y424 WeakPolarHBondContact O-CD2 3.49Å; W420-R426 CarbonylContact C-O 3.15Å; W420-R426 WeakPolarHBondContact CA-O 3.16Å; W420-R426 HydrophobicContact CB-CB 3.89Å; W420-R426 WeakPolarHBondContact CB-O 3.35Å; W420-V429 HydrophobicContact CD2-CB 4.18Å; W420-V429 HydrophobicContact CD2-CG2 4.23Å; W420-V429 HydrophobicContact CE3-CG2 4.34Å; W420-V429 HydrophobicContact CG-CB 4.47Å; W420-V429 HydrophobicContact CH2-CG2 4.13Å; W420-V429 HydrophobicContact CZ2-CB 4.13Å; W420-V429 HydrophobicContact CZ2-CG2 3.99Å; W420-V429 HydrophobicContact CZ3-CG2 4.3Å; W420-T432 HydrophobicContact CB-CG2 3.94Å; W420-T432 HydrophobicContact CD2-CG2 4.36Å; W420-T432 HydrophobicContact CE3-CG2 4.04Å; W420-T432 HydrophobicContact CG-CG2 4.36Å
421G93.9Very high95.6Very high4 Ų447.2 Ų47.24%0.04124%0.235CC..SBendtrans105.8-168.6-175.600000113M166 N169 E423 Y424 R426M166-G421 VanDerWaalsContact CE-CA 3.49Å; M166-G421 VanDerWaalsContact CE-O 3.29Å; M166-G421 WeakPolarHBondContact CE-O 3.28Å; N169-G421 VanDerWaalsContact ND2-C 3.34Å; G421-E423 PolarHBondContact O-N 2.81Å; G421-Y424 PolarHBondContact O-N 2.94Å; G421-R426 PolarHBondContact N-O 3.25Å
422A83.8Confident95.6Very high37 Ų3746 Ų4631%0.30623%0.227SC..THydrogen-bonded Turntrans-67.6-4.5-153.600000116.3M166 P167 N169M166-A422 HydrophobicContact CB-CB 4.16Å; M166-A422 HydrophobicContact CE-CB 4.11Å; M166-A422 HydrophobicContact CG-CB 4.49Å; M166-A422 WeakPolarHBondContact O-CB 3.44Å; P167-A422 VanDerWaalsContact C-CB 3.48Å; P167-A422 WeakPolarHBondContact O-CB 3.38Å; N169-A422 PolarHBondContact ND2-N 2.85Å; N169-A422 PolarHBondContact OD1-N 3.02Å
423E83Confident95.6Very high107 Ų10746.1 Ų46.150%0.523%0.228SC..THydrogen-bonded Turntrans-1212.6-178.3-59.9174.9177.100112.5N169 G421N169-E423 HydrophobicContact CB-CG 4.44Å; G421-E423 PolarHBondContact O-N 2.81Å
424Y91.8Very high95.6Very high62 Ų6241.9 Ų41.924%0.24321%0.212CC..SBendtrans-117.8148.1-179.4-62.5-67.7000110.6N169 F354 W420 G421 R426 Q427N169-Y424 WeakPolarHBondContact ND2-CD2 3.36Å; N169-Y424 WeakPolarHBondContact ND2-CE2 3.39Å; F354-Y424 HydrophobicContact CD1-CE2 4.22Å; F354-Y424 HydrophobicContact CE1-CE1 4.42Å; F354-Y424 HydrophobicContact CE1-CE2 4.01Å; F354-Y424 AromaticContact CE1-CZ 3.66Å; F354-Y424 WeakPolarHBondContact CE1-OH 3.17Å; W420-Y424 VanDerWaalsContact O-CD2 3.29Å; W420-Y424 WeakPolarHBondContact O-CD2 3.49Å; G421-Y424 PolarHBondContact O-N 2.94Å; Y424-R426 PolarHBondContact O-N 2.92Å; Y424-R426 VanDerWaalsContact O-N 3.09Å; Y424-Q427 PolarHBondContact O-NE2 3.33Å
425H93.6Very high95.6Very high183 Ų18342.3 Ų42.385%0.84721%0.214SC*.SBendtrans-55.4-29.1172.5-179.568.1000112.8
426R95.7Very high95.6Very high67 Ų6742.3 Ų42.325%0.25321%0.214SC..  trans-84.5120.3176-65.6173.1179.874.89.9109.7W420 G421 Y424 S431W420-R426 CarbonylContact C-O 3.15Å; W420-R426 WeakPolarHBondContact CA-O 3.16Å; W420-R426 HydrophobicContact CB-CB 3.89Å; W420-R426 WeakPolarHBondContact CB-O 3.35Å; G421-R426 PolarHBondContact N-O 3.25Å; Y424-R426 PolarHBondContact O-N 2.92Å; Y424-R426 VanDerWaalsContact O-N 3.09Å; R426-S431 WeakPolarHBondContact CD-O 3.11Å; R426-S431 PolarHBondContact NE-O 2.91Å
427Q94.8Very high95.6Very high107 Ų10743.3 Ų43.350%0.522%0.218SC..  trans-93.3-31.9-179.8-53.9-68.4-76.200111.5M166 Y424M166-Q427 HydrophobicContact CE-CB 4.24Å; M166-Q427 HydrophobicContact CE-CG 4.33Å; M166-Q427 HydrophobicContact SD-CB 4.02Å; Y424-Q427 PolarHBondContact O-NE2 3.33Å
428D95.5Very high95.6Very high82 Ų8242 Ų4244%0.43921%0.21SC..SBendtrans-110.5147.9179-160.5-66.4000111.5T430 S431D428-T430 PolarHBondContact O-N 3.4Å; D428-T430 WeakPolarHBondContact OD1-CB 3.34Å; D428-T430 WeakPolarHBondContact OD1-CG2 3.47Å; D428-T430 PolarHBondContact OD1-N 3.43Å; D428-T430 PolarHBondContact OD1-OG1 3.34Å; D428-S431 VanDerWaalsContact O-CB 3.28Å; D428-S431 WeakPolarHBondContact O-CB 3.29Å; D428-S431 PolarHBondContact O-N 3.07Å
429V97.4Very high95.6Very high3 Ų340.7 Ų40.72%0.01821%0.205CC..G310 helixtrans-61.5-31174.470.90000111.5W420 S431 T432 W435W420-V429 HydrophobicContact CD2-CB 4.18Å; W420-V429 HydrophobicContact CD2-CG2 4.23Å; W420-V429 HydrophobicContact CE3-CG2 4.34Å; W420-V429 HydrophobicContact CG-CB 4.47Å; W420-V429 HydrophobicContact CH2-CG2 4.13Å; W420-V429 HydrophobicContact CZ2-CB 4.13Å; W420-V429 HydrophobicContact CZ2-CG2 3.99Å; W420-V429 HydrophobicContact CZ3-CG2 4.3Å; V429-S431 PolarHBondContact O-N 3.39Å; V429-S431 VanDerWaalsContact O-N 3.13Å; V429-T432 VanDerWaalsContact O-CB 3.3Å; V429-T432 WeakPolarHBondContact O-CB 3.34Å; V429-T432 WeakPolarHBondContact O-CG2 3.17Å; V429-T432 PolarHBondContact O-N 2.88Å; V429-T432 PolarHBondContact O-OG1 3.15Å; V429-W435 HydrophobicContact CG1-CD2 4.43Å; V429-W435 HydrophobicContact CG1-CE3 4.35Å; V429-W435 HydrophobicContact CG1-CH2 4.17Å; V429-W435 HydrophobicContact CG1-CZ2 4.23Å; V429-W435 HydrophobicContact CG1-CZ3 4.22Å; V429-W435 HydrophobicContact CG2-CB 4.07Å; V429-W435 HydrophobicContact CG2-CD2 3.61Å; V429-W435 HydrophobicContact CG2-CE3 3.72Å; V429-W435 HydrophobicContact CG2-CG 3.78Å; V429-W435 HydrophobicContact CG2-CZ3 4.39Å
430T98Very high95.7Very high55 Ų5540.6 Ų40.634%0.33720%0.204SC..G310 helixtrans-66.4-11.1175.461.60000113.2L279 N280 D428 W435L279-T430 CarbonylContact C-O 3.59Å; L279-T430 WeakPolarHBondContact CA-O 3.3Å; L279-T430 WeakPolarHBondContact CB-O 3.29Å; N280-T430 HydrophobicContact CB-CG2 4.33Å; D428-T430 PolarHBondContact O-N 3.4Å; D428-T430 WeakPolarHBondContact OD1-CB 3.34Å; D428-T430 WeakPolarHBondContact OD1-CG2 3.47Å; D428-T430 PolarHBondContact OD1-N 3.43Å; D428-T430 PolarHBondContact OD1-OG1 3.34Å; T430-W435 HydrophobicContact CG2-CZ2 4.23Å
431S97.7Very high95.7Very high53 Ų5342.5 Ų42.537%0.37121%0.213SC..G310 helixtrans-87.7-6.8170-57.30000113.2R426 D428 V429R426-S431 WeakPolarHBondContact CD-O 3.11Å; R426-S431 PolarHBondContact NE-O 2.91Å; D428-S431 VanDerWaalsContact O-CB 3.28Å; D428-S431 WeakPolarHBondContact O-CB 3.29Å; D428-S431 PolarHBondContact O-N 3.07Å; V429-S431 PolarHBondContact O-N 3.39Å; V429-S431 VanDerWaalsContact O-N 3.13Å
432T98.3Very high95.8Very high0 Ų042.4 Ų42.40%021%0.211CC..SBendtrans-83138.5178.171.20000110.5L279 S415 W420 V429 C434 W435L279-T432 WeakPolarHBondContact CA-O 3.18Å; L279-T432 PolarHBondContact N-O 3.04Å; S415-T432 WeakPolarHBondContact OG-CB 3.38Å; W420-T432 HydrophobicContact CB-CG2 3.94Å; W420-T432 HydrophobicContact CD2-CG2 4.36Å; W420-T432 HydrophobicContact CE3-CG2 4.04Å; W420-T432 HydrophobicContact CG-CG2 4.36Å; V429-T432 VanDerWaalsContact O-CB 3.3Å; V429-T432 WeakPolarHBondContact O-CB 3.34Å; V429-T432 WeakPolarHBondContact O-CG2 3.17Å; V429-T432 PolarHBondContact O-N 2.88Å; V429-T432 PolarHBondContact O-OG1 3.15Å; T432-C434 VanDerWaalsContact C-N 3.3Å; T432-C434 PolarHBondContact O-N 3.1Å; T432-W435 WeakPolarHBondContact OG1-CB 3.25Å
433P98.4Very high96.5Very high3 Ų340.8 Ų40.82%0.01920%0.198CC..SBendtrans-68.6-28.1-173.6-19.732.7000113.8E278 T322 I323 T326 K418E278-P433 WeakPolarHBondContact CA-O 3.44Å; T322-P433 HydrophobicContact CG2-CB 4.4Å; T322-P433 HydrophobicContact CG2-CG 3.81Å; I323-P433 HydrophobicContact CB-CB 4.33Å; I323-P433 HydrophobicContact CG1-CB 3.84Å; T326-P433 HydrophobicContact CG2-CB 4.1Å; T326-P433 HydrophobicContact CG2-CG 4.43Å; K418-P433 HydrophobicContact CG-CG 4.05Å
434C98.7Very high97.2Very high0 Ų037.9 Ų37.90%019%0.186CC..SBendtrans-147.6115.9-176.5-61.50000109.7Y276 T326 R327 I330 S415 F416 T432Y276-C434 HydrophobicContact CE2-CB 4.01Å; Y276-C434 PolarHBondContact OH-SG 2.59Å; T326-C434 HydrophobicContact CG2-CB 3.93Å; R327-C434 VanDerWaalsContact CG-SG 3.53Å; I330-C434 HydrophobicContact CD1-CB 4.24Å; S415-C434 PolarHBondContact OG-O 3.24Å; F416-C434 HydrophobicContact CB-CB 4.42Å; F416-C434 HydrophobicContact CD2-CB 4.38Å; F416-C434 PolarHBondContact N-O 3.18Å; T432-C434 VanDerWaalsContact C-N 3.3Å; T432-C434 PolarHBondContact O-N 3.1Å
435W98.8Very high97.4Very high10 Ų1038 Ų384%0.03819%0.188CC..EExtended strand (participates in β ladder)trans-148.2161.7176.963.5-78.8000111.6Y276 Y277 L279 R413 M414 V429 T430 T432 E437Y276-W435 VanDerWaalsContact CD2-O 3.24Å; Y276-W435 WeakPolarHBondContact CD2-O 3.45Å; Y277-W435 VanDerWaalsContact CB-NE1 3.32Å; Y277-W435 HydrophobicContact CD1-CH2 4.24Å; Y277-W435 AromaticContact CD1-CZ2 3.86Å; Y277-W435 HydrophobicContact CD1-CZ2 3.86Å; Y277-W435 HydrophobicContact CD2-CD2 4.23Å; Y277-W435 HydrophobicContact CD2-CE3 4.08Å; Y277-W435 AromaticContact CD2-CH2 3.58Å; Y277-W435 HydrophobicContact CD2-CH2 3.58Å; Y277-W435 AromaticContact CD2-CZ2 3.75Å; Y277-W435 HydrophobicContact CD2-CZ2 3.75Å; Y277-W435 AromaticContact CD2-CZ3 3.78Å; Y277-W435 HydrophobicContact CD2-CZ3 3.78Å; Y277-W435 HydrophobicContact CE1-CH2 4.5Å; Y277-W435 HydrophobicContact CE1-CZ2 4.5Å; Y277-W435 AromaticContact CE2-CH2 3.86Å; Y277-W435 HydrophobicContact CE2-CH2 3.86Å; Y277-W435 HydrophobicContact CE2-CZ2 4.38Å; Y277-W435 HydrophobicContact CE2-CZ3 4.11Å; Y277-W435 HydrophobicContact CG-CD2 4.29Å; Y277-W435 AromaticContact CG-CE2 3.73Å; Y277-W435 AromaticContact CG-CH2 3.79Å; Y277-W435 HydrophobicContact CG-CH2 3.79Å; Y277-W435 AromaticContact CG-CZ2 3.46Å; Y277-W435 HydrophobicContact CG-CZ2 3.46Å; Y277-W435 VanDerWaalsContact CG-CZ2 3.46Å; Y277-W435 HydrophobicContact CG-CZ3 4.35Å; Y277-W435 PolarHBondContact N-O 3.11Å; Y277-W435 PolarHBondContact O-N 3.39Å; L279-W435 PolarHBondContact O-NE1 2.73Å; R413-W435 HydrophobicContact CG-CZ3 4.22Å; M414-W435 CarbonylContact O-C 3.45Å; M414-W435 WeakPolarHBondContact O-CA 3.33Å; M414-W435 VanDerWaalsContact O-CB 3.26Å; M414-W435 WeakPolarHBondContact O-CB 3.19Å; V429-W435 HydrophobicContact CG1-CD2 4.43Å; V429-W435 HydrophobicContact CG1-CE3 4.35Å; V429-W435 HydrophobicContact CG1-CH2 4.17Å; V429-W435 HydrophobicContact CG1-CZ2 4.23Å; V429-W435 HydrophobicContact CG1-CZ3 4.22Å; V429-W435 HydrophobicContact CG2-CB 4.07Å; V429-W435 HydrophobicContact CG2-CD2 3.61Å; V429-W435 HydrophobicContact CG2-CE3 3.72Å; V429-W435 HydrophobicContact CG2-CG 3.78Å; V429-W435 HydrophobicContact CG2-CZ3 4.39Å; T430-W435 HydrophobicContact CG2-CZ2 4.23Å; T432-W435 WeakPolarHBondContact OG1-CB 3.25Å; W435-E437 HydrophobicContact CZ3-CB 3.97Å
436I98.8Very high97.5Very high0 Ų029.4 Ų29.40%015%0.148CC..EExtended strand (participates in β ladder)trans-123.5150.1176.955.7171.2000110.8I274 V275 Y276 V296 V334 R413 M414 F416 I438I274-I436 HydrophobicContact CG2-CB 3.82Å; I274-I436 HydrophobicContact CG2-CD1 3.92Å; I274-I436 HydrophobicContact CG2-CG1 4.41Å; I274-I436 HydrophobicContact CG2-CG2 3.98Å; V275-I436 CarbonylContact O-C 3.54Å; V275-I436 WeakPolarHBondContact O-CA 3.1Å; Y276-I436 HydrophobicContact CD2-CG2 3.94Å; V296-I436 HydrophobicContact CG1-CD1 4.46Å; V296-I436 HydrophobicContact CG1-CG2 4.5Å; V296-I436 HydrophobicContact CG2-CD1 4.42Å; V334-I436 HydrophobicContact CG1-CD1 4.41Å; R413-I436 WeakPolarHBondContact CA-O 3.25Å; M414-I436 HydrophobicContact CB-CD1 4.4Å; M414-I436 HydrophobicContact CB-CG1 3.9Å; M414-I436 PolarHBondContact N-O 3.02Å; M414-I436 PolarHBondContact O-N 2.97Å; M414-I436 HydrophobicContact SD-CD1 4.25Å; F416-I436 HydrophobicContact CE2-CD1 4.42Å; F416-I436 HydrophobicContact CE2-CG1 4.18Å; F416-I436 HydrophobicContact CE2-CG2 3.95Å; F416-I436 HydrophobicContact CZ-CD1 4.17Å; F416-I436 HydrophobicContact CZ-CG1 4.4Å; I436-I438 HydrophobicContact CD1-CD1 4.16Å; I436-I438 HydrophobicContact CD1-CG1 4.2Å
437E98.8Very high97.5Very high22 Ų2226.3 Ų26.310%0.10314%0.137CC..EExtended strand (participates in β ladder)trans-114.9125170.5-167167.262.900109.1I274 V275 Y277 T411 R413 W435 H439I274-E437 WeakPolarHBondContact CA-O 3.34Å; V275-E437 PolarHBondContact N-O 2.71Å; V275-E437 PolarHBondContact O-N 3.08Å; Y277-E437 HydrophobicContact CD2-CB 4.48Å; Y277-E437 HydrophobicContact CE2-CB 3.92Å; T411-E437 HydrophobicContact CG2-CG 3.43Å; T411-E437 VanDerWaalsContact CG2-CG 3.43Å; R413-E437 HydrophobicContact CG-CG 4.28Å; R413-E437 IonicContact CZ-OE2 3.23Å; R413-E437 IonicContact NE-OE2 3.46Å; R413-E437 PolarHBondContact NE-OE2 3.3Å; R413-E437 IonicContact NH2-OE2 2.72Å; R413-E437 PolarHBondContact NH2-OE2 3.05Å; W435-E437 HydrophobicContact CZ3-CB 3.97Å; E437-H439 IonicContact OE1-CE1 2.85Å; E437-H439 PolarHBondContact OE1-CE1 3.23Å; E437-H439 IonicContact OE1-NE2 3.83Å
438I98.7Very high97.5Very high1 Ų125.8 Ų25.81%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-110.7122.6-175.9-54163.6000107.7C272 S273 I274 L336 T411 I412 M414 I436 L440C272-I438 HydrophobicContact CB-CG2 3.98Å; S273-I438 WeakPolarHBondContact O-CA 3.2Å; I274-I438 HydrophobicContact CG1-CG1 4.4Å; I274-I438 HydrophobicContact CG2-CG1 4.37Å; L336-I438 HydrophobicContact CD1-CD1 3.7Å; L336-I438 HydrophobicContact CD1-CG1 4.34Å; L336-I438 HydrophobicContact CD2-CD1 4.11Å; T411-I438 WeakPolarHBondContact CA-O 3.5Å; I412-I438 HydrophobicContact CB-CB 4.32Å; I412-I438 HydrophobicContact CG2-CD1 4.49Å; I412-I438 PolarHBondContact N-O 3.13Å; I412-I438 PolarHBondContact O-N 3.03Å; M414-I438 HydrophobicContact CE-CD1 4.44Å; I436-I438 HydrophobicContact CD1-CD1 4.16Å; I436-I438 HydrophobicContact CD1-CG1 4.2Å; I438-L440 HydrophobicContact CG2-CD2 4.1Å
439H98.5Very high97.4Very high47 Ų4724.3 Ų24.322%0.21813%0.127CC..EExtended strand (participates in β ladder)trans-106.3120175.6-64.888.1000109.6C272 S273 T411 E437 H441 L444C272-H439 CarbonylContact C-O 3.51Å; C272-H439 WeakPolarHBondContact CA-O 3.34Å; C272-H439 WeakPolarHBondContact CB-O 3.39Å; S273-H439 PolarHBondContact N-O 3.32Å; S273-H439 PolarHBondContact O-N 2.81Å; T411-H439 PolarHBondContact OG1-CD2 2.74Å; E437-H439 IonicContact OE1-CE1 2.85Å; E437-H439 PolarHBondContact OE1-CE1 3.23Å; E437-H439 IonicContact OE1-NE2 3.83Å; H439-H441 PolarHBondContact O-CD2 3.23Å; H439-H441 VanDerWaalsContact O-CD2 3.3Å; H439-H441 PolarHBondContact O-N 2.88Å; H439-L444 HydrophobicContact CB-CD1 4.06Å
440L98.3Very high97.2Very high3 Ų324.2 Ų24.22%0.01613%0.127CC..EExtended strand (participates in β ladder)trans-88108.2-179.5-58.3-179.7000110.4W271 C272 V343 F383 C410 I412 I438 G442 P443 L444W271-L440 HydrophobicContact CE3-CD2 4.19Å; W271-L440 HydrophobicContact CZ3-CD2 3.97Å; C272-L440 HydrophobicContact CB-CD2 4.03Å; V343-L440 HydrophobicContact CG2-CD1 4.43Å; V343-L440 HydrophobicContact CG2-CD2 4.08Å; F383-L440 HydrophobicContact CB-CD1 3.83Å; F383-L440 HydrophobicContact CD1-CD1 3.63Å; F383-L440 HydrophobicContact CD2-CD1 3.35Å; F383-L440 HydrophobicContact CE1-CD1 3.97Å; F383-L440 HydrophobicContact CE2-CD1 3.7Å; F383-L440 HydrophobicContact CG-CD1 3.31Å; F383-L440 HydrophobicContact CZ-CD1 3.99Å; C410-L440 PolarHBondContact O-N 3.34Å; I412-L440 HydrophobicContact CD1-CD1 4.1Å; I438-L440 HydrophobicContact CG2-CD2 4.1Å; L440-G442 PolarHBondContact O-N 3.35Å; L440-P443 HydrophobicContact CB-CB 4.42Å; L440-P443 HydrophobicContact CB-CG 3.9Å; L440-P443 HydrophobicContact CD1-CG 4.47Å; L440-L444 WeakPolarHBondContact O-CB 3.45Å; L440-L444 WeakPolarHBondContact O-CD1 3.18Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.45Å; L440-L444 PolarHBondContact O-N 3.09Å; L440-L444 VanDerWaalsContact O-N 3.11Å
441H97.8Very high97Very high47 Ų4722.6 Ų22.622%0.21812%0.116CC..Hα-helixtrans-70.7-35.7-169-68.9-174.6000112.6P268 H270 W271 S273 H439 L444 Q445P268-H441 HydrophobicContact CB-CB 4.06Å; P268-H441 HydrophobicContact CG-CB 3.86Å; H270-H441 VanDerWaalsContact O-CB 3.25Å; H270-H441 WeakPolarHBondContact O-CB 3.34Å; H270-H441 PolarHBondContact O-ND1 3.29Å; W271-H441 PolarHBondContact O-N 2.65Å; S273-H441 WeakPolarHBondContact CB-NE2 3.44Å; S273-H441 PolarHBondContact N-NE2 2.99Å; S273-H441 PolarHBondContact OG-NE2 2.75Å; H439-H441 PolarHBondContact O-CD2 3.23Å; H439-H441 VanDerWaalsContact O-CD2 3.3Å; H439-H441 PolarHBondContact O-N 2.88Å; H441-L444 PolarHBondContact O-N 3.01Å; H441-Q445 VanDerWaalsContact O-CB 3.23Å; H441-Q445 WeakPolarHBondContact O-CB 3.3Å; H441-Q445 PolarHBondContact O-N 2.74Å
442G96.2Very high96.7Very high1 Ų124.7 Ų24.71%0.0113%0.126CC..Hα-helixtrans-63.9-55.8179.900000111.7Y265 L440 L444 Q445 W446Y265-G442 WeakPolarHBondContact OH-CA 3.08Å; L440-G442 PolarHBondContact O-N 3.35Å; G442-L444 VanDerWaalsContact C-N 3.33Å; G442-L444 PolarHBondContact O-N 3Å; G442-Q445 PolarHBondContact O-N 2.81Å; G442-W446 PolarHBondContact O-N 3.39Å
443P96.9Very high96.3Very high4 Ų428.9 Ų28.93%0.02615%0.146CC..Hα-helixtrans-53.3-44.3171.5-30.437.8000113.9F383 F388 C410 L440 W446 L447F383-P443 HydrophobicContact CD1-CG 4.49Å; F383-P443 HydrophobicContact CE1-CB 4.34Å; F383-P443 HydrophobicContact CE1-CG 3.51Å; F383-P443 HydrophobicContact CZ-CB 3.95Å; F383-P443 HydrophobicContact CZ-CG 3.61Å; F388-P443 HydrophobicContact CD1-CB 3.91Å; F388-P443 HydrophobicContact CD1-CG 4.49Å; F388-P443 HydrophobicContact CE1-CB 3.66Å; F388-P443 HydrophobicContact CE2-CB 4.42Å; F388-P443 HydrophobicContact CG-CB 4.39Å; F388-P443 HydrophobicContact CZ-CB 3.93Å; C410-P443 HydrophobicContact CB-CB 4.28Å; L440-P443 HydrophobicContact CB-CB 4.42Å; L440-P443 HydrophobicContact CB-CG 3.9Å; L440-P443 HydrophobicContact CD1-CG 4.47Å; P443-W446 PolarHBondContact O-N 3.28Å; P443-L447 VanDerWaalsContact O-CB 3.31Å; P443-L447 WeakPolarHBondContact O-CB 3.5Å; P443-L447 PolarHBondContact O-N 2.75Å
444L97.5Very high95.7Very high46 Ų4629.9 Ų29.924%0.24115%0.151CC..Hα-helixtrans-62.1-46.1177.4-76.7168.8000112.4T407 C410 H439 L440 H441 G442 W446 L447 D448T407-L444 HydrophobicContact CG2-CD2 4.11Å; C410-L444 HydrophobicContact CB-CD1 4.43Å; C410-L444 HydrophobicContact CB-CD2 3.57Å; C410-L444 HydrophobicContact CB-CG 3.58Å; H439-L444 HydrophobicContact CB-CD1 4.06Å; L440-L444 WeakPolarHBondContact O-CB 3.45Å; L440-L444 WeakPolarHBondContact O-CD1 3.18Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.45Å; L440-L444 PolarHBondContact O-N 3.09Å; L440-L444 VanDerWaalsContact O-N 3.11Å; H441-L444 PolarHBondContact O-N 3.01Å; G442-L444 VanDerWaalsContact C-N 3.33Å; G442-L444 PolarHBondContact O-N 3Å; L444-W446 VanDerWaalsContact C-N 3.32Å; L444-W446 PolarHBondContact O-N 3.02Å; L444-L447 PolarHBondContact O-N 2.69Å; L444-D448 WeakPolarHBondContact O-CB 3.37Å; L444-D448 PolarHBondContact O-N 3Å
445Q96.4Very high95Very high63 Ų6332.3 Ų32.329%0.29418%0.176SC..Hα-helixtrans-64.2-39.2179.1-175-177.412.200111.3H441 G442 K449H441-Q445 VanDerWaalsContact O-CB 3.23Å; H441-Q445 WeakPolarHBondContact O-CB 3.3Å; H441-Q445 PolarHBondContact O-N 2.74Å; G442-Q445 PolarHBondContact O-N 2.81Å; Q445-K449 WeakPolarHBondContact O-CG 3.32Å; Q445-K449 PolarHBondContact O-N 2.88Å; Q445-K449 VanDerWaalsContact O-N 3.12Å
446W95.9Very high94.1Very high3 Ų336 Ų361%0.01120%0.203CC..Hα-helixtrans-66.7-43177-162.17.5000111.6L135 P136 V138 V263 Y265 F388 A389 L392 G442 P443 L444 K449 V450L135-W446 HydrophobicContact CB-CH2 3.7Å; L135-W446 HydrophobicContact CB-CZ3 4.14Å; L135-W446 HydrophobicContact CD1-CH2 4.14Å; L135-W446 HydrophobicContact CD1-CZ3 3.68Å; L135-W446 HydrophobicContact CG-CH2 4.48Å; L135-W446 HydrophobicContact CG-CZ3 4.45Å; P136-W446 VanDerWaalsContact O-CZ2 3.29Å; P136-W446 WeakPolarHBondContact O-CZ2 3.34Å; V138-W446 HydrophobicContact CG2-CH2 4.44Å; V138-W446 HydrophobicContact CG2-CZ2 3.69Å; V263-W446 PolarHBondContact O-NE1 3.07Å; Y265-W446 HydrophobicContact CD2-CB 3.92Å; Y265-W446 AromaticContact CD2-CD2 3.61Å; Y265-W446 HydrophobicContact CD2-CD2 3.61Å; Y265-W446 AromaticContact CD2-CE3 3.28Å; Y265-W446 HydrophobicContact CD2-CE3 3.28Å; Y265-W446 AromaticContact CD2-CG 3.94Å; Y265-W446 HydrophobicContact CD2-CG 3.94Å; Y265-W446 AromaticContact CD2-CZ3 3.88Å; Y265-W446 HydrophobicContact CD2-CZ3 3.88Å; Y265-W446 HydrophobicContact CE2-CB 4.46Å; Y265-W446 HydrophobicContact CE2-CE3 4.07Å; Y265-W446 HydrophobicContact CG-CD2 4.26Å; Y265-W446 HydrophobicContact CG-CE3 4.04Å; Y265-W446 HydrophobicContact CG-CZ3 4.29Å; F388-W446 HydrophobicContact CD1-CE3 4.43Å; A389-W446 HydrophobicContact CB-CH2 3.45Å; A389-W446 VanDerWaalsContact CB-CH2 3.45Å; A389-W446 HydrophobicContact CB-CZ3 3.45Å; A389-W446 VanDerWaalsContact CB-CZ3 3.45Å; L392-W446 HydrophobicContact CD2-CD2 4.02Å; L392-W446 HydrophobicContact CD2-CE3 4.37Å; L392-W446 HydrophobicContact CD2-CG 4.05Å; G442-W446 PolarHBondContact O-N 3.39Å; P443-W446 PolarHBondContact O-N 3.28Å; L444-W446 VanDerWaalsContact C-N 3.32Å; L444-W446 PolarHBondContact O-N 3.02Å; W446-K449 PolarHBondContact O-N 3.04Å; W446-V450 WeakPolarHBondContact O-CG2 3.45Å; W446-V450 PolarHBondContact O-N 3.29Å; W446-V450 VanDerWaalsContact O-N 3.11Å
447L96.1Very high93.3Very high3 Ų338.8 Ų38.82%0.01622%0.221CC..Hα-helixtrans-60.7-46.9175.7-174.567000112F388 L392 V403 L406 T407 P443 L444 K449 V450 L451F388-L447 HydrophobicContact CZ-CB 4.4Å; L392-L447 HydrophobicContact CD1-CD1 3.55Å; V403-L447 HydrophobicContact CG1-CD1 3.48Å; V403-L447 VanDerWaalsContact CG1-CD1 3.48Å; V403-L447 WeakPolarHBondContact O-CD1 3.28Å; L406-L447 HydrophobicContact CB-CD1 4.01Å; L406-L447 HydrophobicContact CB-CD2 4.31Å; L406-L447 HydrophobicContact CD1-CD1 4.4Å; T407-L447 VanDerWaalsContact N-CD2 3.35Å; T407-L447 WeakPolarHBondContact OG1-CD2 3.2Å; P443-L447 VanDerWaalsContact O-CB 3.31Å; P443-L447 WeakPolarHBondContact O-CB 3.5Å; P443-L447 PolarHBondContact O-N 2.75Å; L444-L447 PolarHBondContact O-N 2.69Å; L447-K449 PolarHBondContact O-N 3.08Å; L447-V450 PolarHBondContact O-N 3.39Å; L447-V450 VanDerWaalsContact O-N 3.15Å; L447-L451 HydrophobicContact CD1-CD1 4.5Å; L447-L451 HydrophobicContact CD2-CD1 4.46Å; L447-L451 HydrophobicContact CG-CD1 3.95Å; L447-L451 HydrophobicContact CG-CG 4.44Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 3.49Å
448D94.7Very high92.3Very high96 Ų9644 Ų4451%0.51325%0.245SC..Hα-helixtrans-57.9-45.3178.1178.671.8000111.9L444 V450 L451 T452L444-D448 WeakPolarHBondContact O-CB 3.37Å; L444-D448 PolarHBondContact O-N 3Å; D448-V450 VanDerWaalsContact C-N 3.34Å; D448-V450 PolarHBondContact O-N 3.1Å; D448-L451 PolarHBondContact O-N 3.31Å; D448-T452 WeakPolarHBondContact O-CB 3.3Å; D448-T452 PolarHBondContact O-N 2.77Å; D448-T452 PolarHBondContact O-OG1 2.8Å
449K94Very high91.4Very high51 Ų5149.7 Ų49.722%0.22228%0.276CS..Hα-helixtrans-61.9-40175.2-72.4178.8179.2178.70112.4V263 E266 Q445 W446 L447 Q453V263-K449 HydrophobicContact CG1-CB 3.49Å; V263-K449 VanDerWaalsContact CG1-CB 3.49Å; V263-K449 HydrophobicContact CG1-CD 4.3Å; E266-K449 IonicContact OE1-NZ 3.14Å; E266-K449 PolarHBondContact OE1-NZ 3.29Å; E266-K449 IonicContact OE2-NZ 3.86Å; E266-K449 PolarHBondContact OE2-NZ 3.38Å; Q445-K449 WeakPolarHBondContact O-CG 3.32Å; Q445-K449 PolarHBondContact O-N 2.88Å; Q445-K449 VanDerWaalsContact O-N 3.12Å; W446-K449 PolarHBondContact O-N 3.04Å; L447-K449 PolarHBondContact O-N 3.08Å; K449-Q453 WeakPolarHBondContact O-CG 3.47Å; K449-Q453 PolarHBondContact O-N 3.44Å
450V93.9Very high90.6Very high0 Ų053.3 Ų53.30%030%0.303CS..Hα-helixtrans-66.5-49.5176.6169.50000110.8V138 V140 V263 L392 V396 V403 W446 L447 D448 T452 Q453 M454V138-V450 HydrophobicContact CB-CG2 3.96Å; V138-V450 HydrophobicContact CG1-CG1 4.38Å; V138-V450 HydrophobicContact CG1-CG2 3.8Å; V140-V450 HydrophobicContact CG2-CB 4.46Å; V140-V450 HydrophobicContact CG2-CG1 3.9Å; V140-V450 HydrophobicContact CG2-CG2 4.38Å; V263-V450 HydrophobicContact CB-CG2 4.08Å; V263-V450 HydrophobicContact CG1-CG2 3.98Å; V263-V450 HydrophobicContact CG2-CG2 4.4Å; L392-V450 HydrophobicContact CD1-CB 4.39Å; L392-V450 HydrophobicContact CD1-CG1 4.15Å; L392-V450 HydrophobicContact CD1-CG2 4.42Å; L392-V450 HydrophobicContact CD2-CG2 4.1Å; L392-V450 HydrophobicContact CG-CG2 4.39Å; V396-V450 HydrophobicContact CG2-CG1 3.54Å; V403-V450 HydrophobicContact CG1-CG1 4.06Å; W446-V450 WeakPolarHBondContact O-CG2 3.45Å; W446-V450 PolarHBondContact O-N 3.29Å; W446-V450 VanDerWaalsContact O-N 3.11Å; L447-V450 PolarHBondContact O-N 3.39Å; L447-V450 VanDerWaalsContact O-N 3.15Å; D448-V450 VanDerWaalsContact C-N 3.34Å; D448-V450 PolarHBondContact O-N 3.1Å; V450-T452 VanDerWaalsContact C-N 3.27Å; V450-T452 PolarHBondContact O-N 2.99Å; V450-Q453 PolarHBondContact O-N 2.96Å; V450-M454 HydrophobicContact CG1-CG 4.47Å; V450-M454 HydrophobicContact CG1-SD 4.12Å; V450-M454 PolarHBondContact O-N 3.46Å
451L92.6Very high90.1Very high22 Ų2260.9 Ų60.912%0.11534%0.342CS..Hα-helixtrans-58.1-40.1178.6-74.9169.8000111.9F400 V403 Y404 L447 D448 Q453 M454F400-L451 HydrophobicContact CD2-CD2 3.97Å; F400-L451 HydrophobicContact CE1-CD2 4.45Å; F400-L451 HydrophobicContact CE2-CB 4.42Å; F400-L451 HydrophobicContact CE2-CD2 3.71Å; F400-L451 HydrophobicContact CG-CD2 4.46Å; F400-L451 HydrophobicContact CZ-CD2 3.97Å; V403-L451 HydrophobicContact CB-CD2 3.91Å; V403-L451 HydrophobicContact CG1-CD2 3.55Å; V403-L451 HydrophobicContact CG1-CG 3.84Å; Y404-L451 HydrophobicContact CD2-CD1 4.14Å; L447-L451 HydrophobicContact CD1-CD1 4.5Å; L447-L451 HydrophobicContact CD2-CD1 4.46Å; L447-L451 HydrophobicContact CG-CD1 3.95Å; L447-L451 HydrophobicContact CG-CG 4.44Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 3.49Å; D448-L451 PolarHBondContact O-N 3.31Å; L451-Q453 PolarHBondContact O-N 3.49Å; L451-M454 PolarHBondContact O-N 3.42Å
452T91.5Very high89.7Confident96 Ų9661.9 Ų61.959%0.58935%0.354SS*.Hα-helixtrans-58.1-30.8175.7-600000112.4D448 V450D448-T452 WeakPolarHBondContact O-CB 3.3Å; D448-T452 PolarHBondContact O-N 2.77Å; D448-T452 PolarHBondContact O-OG1 2.8Å; V450-T452 VanDerWaalsContact C-N 3.27Å; V450-T452 PolarHBondContact O-N 2.99Å
453Q89.7Confident89.5Confident88 Ų8867.8 Ų67.841%0.41140%0.396SS..Hα-helixtrans-85.5-16.9177.4-59.2-55.4-52.900113.7V140 Q261 V263 K449 V450 L451V140-Q453 HydrophobicContact CB-CB 4.09Å; V140-Q453 HydrophobicContact CG1-CB 3.81Å; V140-Q453 HydrophobicContact CG2-CB 4.26Å; Q261-Q453 HydrophobicContact CG-CG 4.13Å; V263-Q453 HydrophobicContact CG2-CG 4Å; K449-Q453 WeakPolarHBondContact O-CG 3.47Å; K449-Q453 PolarHBondContact O-N 3.44Å; V450-Q453 PolarHBondContact O-N 2.96Å; L451-Q453 PolarHBondContact O-N 3.49Å
454M86.6Confident89.1Confident25 Ų2573.7 Ų73.712%0.12343%0.431CS..Hα-helixtrans-86.9-9.5-175.6-70.4-172.977.200114.6V140 V396 F400 V403 V450 L451V140-M454 HydrophobicContact CG1-CG 3.66Å; V396-M454 HydrophobicContact CG1-CE 4.44Å; V396-M454 HydrophobicContact CG1-SD 4.5Å; V396-M454 HydrophobicContact CG2-SD 4.3Å; V396-M454 WeakPolarHBondContact O-CE 3.4Å; F400-M454 HydrophobicContact CD2-CB 4.13Å; V403-M454 HydrophobicContact CB-SD 3.96Å; V403-M454 HydrophobicContact CG1-SD 4.17Å; V403-M454 HydrophobicContact CG2-CE 4.03Å; V403-M454 HydrophobicContact CG2-SD 3.57Å; V403-M454 VanDerWaalsContact CG2-SD 3.57Å; V450-M454 HydrophobicContact CG1-CG 4.47Å; V450-M454 HydrophobicContact CG1-SD 4.12Å; V450-M454 PolarHBondContact O-N 3.46Å; L451-M454 PolarHBondContact O-N 3.42Å
455G82.6Confident88.2Confident51 Ų5178.7 Ų78.753%0.52647%0.47SS..  trans81.9-143.2-176.400000112.9F400F400-G455 WeakPolarHBondContact CD2-O 3.33Å; F400-G455 WeakPolarHBondContact CE2-O 3.25Å
456S81.4Confident87.8Confident88 Ų8879.5 Ų79.562%0.61548%0.479SS*.  trans-111.3160.9-175.461.50000112.7
457P81.4Confident87.4Confident57 Ų5783.5 Ų83.537%0.3750%0.504SS..  trans-52.4149167.7-21.830.1000112.1F400F400-P457 HydrophobicContact CD1-CB 4.33Å; F400-P457 HydrophobicContact CD1-CG 3.65Å; F400-P457 HydrophobicContact CE1-CG 3.59Å; F400-P457 HydrophobicContact CG-CG 4.49Å; F400-P457 HydrophobicContact CZ-CG 4.37Å
458H77Confident86.9Confident133 Ų13388 Ų8862%0.61653%0.531SS*.SBendtrans-71.2-34.1178.6-67.1-13.2000112.8P460H458-P460 VanDerWaalsContact O-CD 3.24Å; H458-P460 WeakPolarHBondContact O-CD 3.37Å
459N80.7Confident86.5Confident120 Ų12087.5 Ų87.564%0.64253%0.532SS*.SBendtrans-82.8112.1179.1-70.2-29000109.5I461N459-I461 PolarHBondContact O-N 3.37Å
460P82.5Confident86Confident122 Ų12289.8 Ų89.879%0.79255%0.551SS**PPolyproline II helixtrans-64.3137.8172.928.5-33.6000109.1H458H458-P460 VanDerWaalsContact O-CD 3.24Å; H458-P460 WeakPolarHBondContact O-CD 3.37Å
461I86.8Confident85.5Confident163 Ų16395.8 Ų95.884%0.83659%0.588SS**PPolyproline II helixtrans-84.9136.4173.2-167.4165.5000109.4N459N459-I461 PolarHBondContact O-N 3.37Å
462S88.6Confident85Confident67 Ų67101.1 Ų101.147%0.46962%0.622SS.*PPolyproline II helixtrans-68.9140.1174.2177.60000110.1V464 S465S462-V464 PolarHBondContact O-N 3.2Å; S462-V464 PolarHBondContact OG-N 3.44Å; S462-V464 VanDerWaalsContact OG-N 3.09Å; S462-S465 PolarHBondContact OG-N 3.04Å
463S92.2Very high84.5Confident126 Ų126101.5 Ų101.588%0.88162%0.624SS**SBendtrans-82.92.1170.663.90000113.4
464V89.3Confident84Confident128 Ų128102.6 Ų102.678%0.77664%0.642SS**  trans-123.3-22.8-171.9-173.10000113S462S462-V464 PolarHBondContact O-N 3.2Å; S462-V464 PolarHBondContact OG-N 3.44Å; S462-V464 VanDerWaalsContact OG-N 3.09Å
465S79.2Confident83.8Confident151 Ų151109.6 Ų109.6100%1.05669%0.689SS**  trans-60.90-173.755.20000114.2S462S462-S465 PolarHBondContact OG-N 3.04Å

Retrieved 465 of 465 residues in 2217.4 ms (Link to these results)

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