A0A093I459_STRCA Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A093I459, Species STRCA (Struthio camelus australis), Gene n/a, 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
1M34.8Very low47.2Very low243 Ų243129.5 Ų129.5100%1.19771%0.708SS**  0135.10-62.2168.1-173.500107.3
2N29.4Very low50.6Low142 Ų142126.9 Ų126.976%0.75970%0.702SS**  trans-106.2115.6-171.7-155.30000110.4T4N2-T4 VanDerWaalsContact C-N 3.33Å; N2-T4 PolarHBondContact O-N 2.75Å
3V35.7Very low53.6Low132 Ų132118.2 Ų118.280%0.866%0.657SS**  trans-93.935.4-162.5-67.50000114.2
4T36.6Very low56.3Low121 Ų121109.9 Ų109.974%0.74261%0.61SS**  trans-96.613.6-172450000115.1N2N2-T4 VanDerWaalsContact C-N 3.33Å; N2-T4 PolarHBondContact O-N 2.75Å
5S45.4Very low58.7Low108 Ų108111.2 Ų111.276%0.75561%0.607SS**  trans-134.348.3-168.5-172.80000114.9
6L38.3Very low60.9Low146 Ų146112.2 Ų112.276%0.76460%0.599SS**SBendtrans-129-9.6178.4-77.4174.3000117.3
7F41.6Very low62.9Low170 Ų170105.6 Ų105.675%0.74656%0.564SS**  trans-135.784.1-177.4-62.2-72.4000114.3F9F7-F9 HydrophobicContact CB-CD2 3.89Å; F7-F9 HydrophobicContact CB-CE2 3.53Å; F7-F9 HydrophobicContact CB-CZ 4.19Å; F7-F9 HydrophobicContact CG-CE2 4.19Å; F7-F9 HydrophobicContact CG-CZ 4.44Å; F7-F9 PolarHBondContact O-N 2.78Å
8S46.3Very low64.7Low101 Ų101101.8 Ų101.871%0.70654%0.543SS*.  trans-74.299.4157.3-69.90000109.2T10S8-T10 PolarHBondContact O-N 2.73Å
9F57.3Low66.2Low187 Ų187100 Ų10082%0.8255%0.552SS**  trans-73.766.6177.7-79.4-83.8000112.4F7 S11F7-F9 HydrophobicContact CB-CD2 3.89Å; F7-F9 HydrophobicContact CB-CE2 3.53Å; F7-F9 HydrophobicContact CB-CZ 4.19Å; F7-F9 HydrophobicContact CG-CE2 4.19Å; F7-F9 HydrophobicContact CG-CZ 4.44Å; F7-F9 PolarHBondContact O-N 2.78Å; F9-S11 PolarHBondContact O-N 3.32Å
10T70Confident67.6Low35 Ų3598.5 Ų98.522%0.21554%0.537CS..  trans-61.9126165.935.10000110S8 V14 K15 E31S8-T10 PolarHBondContact O-N 2.73Å; T10-V14 HydrophobicContact CG2-CG1 4.4Å; T10-K15 WeakPolarHBondContact OG1-CE 3.3Å; T10-E31 HydrophobicContact CG2-CG 3.88Å; T10-E31 WeakPolarHBondContact CG2-OE1 3.37Å
11S83.8Confident68.8Low40 Ų4095.7 Ų95.728%0.2852%0.52SS..  trans-58.9144.1-179-168.20000110.7F9 A13 V14 K15F9-S11 PolarHBondContact O-N 3.32Å; S11-A13 PolarHBondContact O-N 3.39Å; S11-A13 VanDerWaalsContact O-N 3.11Å; S11-V14 WeakPolarHBondContact O-CA 3.07Å; S11-V14 WeakPolarHBondContact O-CB 3.41Å; S11-V14 PolarHBondContact O-N 3.05Å; S11-K15 PolarHBondContact O-N 3.36Å
12P87.9Confident71.6Confident98 Ų9888.4 Ų88.464%0.63648%0.483SS*.Hα-helixtrans-53.4-36-178.4-30.336.5000114.4K15 R16P12-K15 PolarHBondContact O-N 3.43Å; P12-R16 WeakPolarHBondContact O-CB 3.33Å; P12-R16 PolarHBondContact O-N 2.9Å
13A89.3Confident74.4Confident14 Ų1483.6 Ų83.612%0.11647%0.467CS..Hα-helixtrans-67.3-34.2173.900000113.1S11 R16 L17 V38 M48S11-A13 PolarHBondContact O-N 3.39Å; S11-A13 VanDerWaalsContact O-N 3.11Å; A13-R16 PolarHBondContact O-N 2.89Å; A13-L17 VanDerWaalsContact O-CB 3.3Å; A13-L17 WeakPolarHBondContact O-CB 3.46Å; A13-L17 VanDerWaalsContact O-CG 3.3Å; A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 2.77Å; A13-V38 HydrophobicContact CB-CG1 4.26Å; A13-V38 HydrophobicContact CB-CG2 4.45Å; A13-M48 HydrophobicContact CB-SD 4.24Å
14V92.6Very high76.4Confident1 Ų184.6 Ų84.61%0.00647%0.468CS..Hα-helixtrans-68.5-44.3174.2175.40000110T10 S11 R16 L17 L18 V34 D35 V38T10-V14 HydrophobicContact CG2-CG1 4.4Å; S11-V14 WeakPolarHBondContact O-CA 3.07Å; S11-V14 WeakPolarHBondContact O-CB 3.41Å; S11-V14 PolarHBondContact O-N 3.05Å; V14-R16 VanDerWaalsContact C-N 3.33Å; V14-R16 PolarHBondContact O-N 2.99Å; V14-L17 PolarHBondContact O-N 3.38Å; V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.38Å; V14-L18 VanDerWaalsContact O-CG 3.24Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.4Å; V14-V34 HydrophobicContact CB-CG1 4.33Å; V14-V34 HydrophobicContact CG1-CB 4.38Å; V14-V34 HydrophobicContact CG1-CG1 3.99Å; V14-V34 HydrophobicContact CG2-CG1 4.39Å; V14-D35 HydrophobicContact CG2-CB 4.12Å; V14-V38 HydrophobicContact CG2-CB 4.16Å; V14-V38 HydrophobicContact CG2-CG2 3.85Å
15K92.3Very high78.1Confident130 Ų13086.7 Ų86.757%0.56547%0.469SS*.Hα-helixtrans-58.8-43.5173.8-67.6-168.4176.7-170.80112.1T10 S11 P12 L18 G19T10-K15 WeakPolarHBondContact OG1-CE 3.3Å; S11-K15 PolarHBondContact O-N 3.36Å; P12-K15 PolarHBondContact O-N 3.43Å; K15-L18 PolarHBondContact O-N 2.9Å; K15-G19 PolarHBondContact O-N 3.31Å
16R93.4Very high80Confident127 Ų12784.6 Ų84.648%0.47945%0.448SS..Hα-helixtrans-64.2-50.1177.9-158.5-174.1-57.6140.4-10.4111.6P12 A13 V14 L18 G19 W20 E52P12-R16 WeakPolarHBondContact O-CB 3.33Å; P12-R16 PolarHBondContact O-N 2.9Å; A13-R16 PolarHBondContact O-N 2.89Å; V14-R16 VanDerWaalsContact C-N 3.33Å; V14-R16 PolarHBondContact O-N 2.99Å; R16-L18 VanDerWaalsContact C-N 3.27Å; R16-L18 PolarHBondContact O-N 3.26Å; R16-G19 WeakPolarHBondContact O-CA 3.3Å; R16-G19 PolarHBondContact O-N 3.33Å; R16-W20 HydrophobicContact CG-CH2 4.06Å; R16-W20 HydrophobicContact CG-CZ3 4.04Å; R16-W20 VanDerWaalsContact O-CE3 3.27Å; R16-W20 WeakPolarHBondContact O-CZ3 3.28Å; R16-E52 WeakPolarHBondContact CD-OE1 3.46Å; R16-E52 IonicContact CZ-OE1 3.7Å; R16-E52 IonicContact CZ-OE2 2.76Å; R16-E52 IonicContact NE-OE1 3.51Å; R16-E52 IonicContact NH1-OE1 2.73Å; R16-E52 PolarHBondContact NH1-OE1 3.11Å; R16-E52 IonicContact NH1-OE2 3.18Å; R16-E52 PolarHBondContact NH1-OE2 2.8Å
17L94.9Very high82.3Confident0 Ų083.5 Ų83.50%044%0.438CS..Hα-helixtrans-64.4-27.7179.2-74172.3000113.8A13 V14 G19 W20 V34 V38 L51 E52 L55 W92A13-L17 VanDerWaalsContact O-CB 3.3Å; A13-L17 WeakPolarHBondContact O-CB 3.46Å; A13-L17 VanDerWaalsContact O-CG 3.3Å; A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 2.77Å; V14-L17 PolarHBondContact O-N 3.38Å; L17-G19 VanDerWaalsContact C-N 3.31Å; L17-W20 HydrophobicContact CD2-CE3 4.34Å; L17-W20 HydrophobicContact CD2-CZ3 4.06Å; L17-V34 HydrophobicContact CB-CG1 3.55Å; L17-V34 HydrophobicContact CD1-CG1 4.04Å; L17-V34 HydrophobicContact CG-CG1 4.47Å; L17-V38 HydrophobicContact CD1-CG2 3.55Å; L17-L51 HydrophobicContact CD1-CD2 4.18Å; L17-L51 HydrophobicContact CD2-CD2 3.77Å; L17-L51 HydrophobicContact CD2-CG 3.95Å; L17-E52 HydrophobicContact CD2-CG 3.97Å; L17-L55 HydrophobicContact CD2-CD1 3.59Å; L17-W92 HydrophobicContact CB-CZ2 4.23Å; L17-W92 HydrophobicContact CD2-CZ2 4.33Å; L17-W92 PolarHBondContact O-NE1 3.42Å
18L94.7Very high84.6Confident37 Ų3783.1 Ų83.119%0.19444%0.437CS..Hα-helixtrans-74.1-19.3170.6-72168.1000113.2V14 K15 R16 W20 K21 A30 E31 V34V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.38Å; V14-L18 VanDerWaalsContact O-CG 3.24Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.4Å; K15-L18 PolarHBondContact O-N 2.9Å; R16-L18 VanDerWaalsContact C-N 3.27Å; R16-L18 PolarHBondContact O-N 3.26Å; L18-W20 PolarHBondContact O-N 2.99Å; L18-K21 HydrophobicContact CD2-CD 4.39Å; L18-K21 WeakPolarHBondContact O-CB 3.33Å; L18-K21 PolarHBondContact O-N 3.41Å; L18-A30 HydrophobicContact CD2-CB 4.26Å; L18-E31 HydrophobicContact CD1-CB 4.27Å; L18-E31 HydrophobicContact CD1-CG 4.25Å; L18-V34 HydrophobicContact CD2-CB 4.37Å; L18-V34 HydrophobicContact CD2-CG2 3.93Å; L18-V34 HydrophobicContact CG-CG2 4.41Å
19G92.9Very high86.8Confident68 Ų6880 Ų8070%0.70141%0.409SS*.THydrogen-bonded Turntrans-64.8-15.9175.400000114.5K15 R16 L17K15-G19 PolarHBondContact O-N 3.31Å; R16-G19 WeakPolarHBondContact O-CA 3.3Å; R16-G19 PolarHBondContact O-N 3.33Å; L17-G19 VanDerWaalsContact C-N 3.31Å
20W94.6Very high88.5Confident69 Ų6971.3 Ų71.326%0.26137%0.372SS..THydrogen-bonded Turntrans-100.64.7171-62.1-78.8000113.3R16 L17 L18 Q22 E52 L55R16-W20 HydrophobicContact CG-CH2 4.06Å; R16-W20 HydrophobicContact CG-CZ3 4.04Å; R16-W20 VanDerWaalsContact O-CE3 3.27Å; R16-W20 WeakPolarHBondContact O-CZ3 3.28Å; L17-W20 HydrophobicContact CD2-CE3 4.34Å; L17-W20 HydrophobicContact CD2-CZ3 4.06Å; L18-W20 PolarHBondContact O-N 2.99Å; W20-Q22 PolarHBondContact O-N 3.37Å; W20-Q22 PolarHBondContact O-NE2 3.26Å; W20-E52 HydrophobicContact CH2-CB 4.15Å; W20-E52 HydrophobicContact CH2-CG 4.15Å; W20-E52 HydrophobicContact CZ3-CG 4.14Å; W20-L55 HydrophobicContact CB-CB 4.37Å; W20-L55 HydrophobicContact CB-CD1 4.49Å; W20-L55 HydrophobicContact CB-CD2 4.5Å; W20-L55 HydrophobicContact CD2-CB 3.63Å; W20-L55 HydrophobicContact CD2-CD1 4.21Å; W20-L55 HydrophobicContact CE3-CB 3.92Å; W20-L55 HydrophobicContact CE3-CD1 3.75Å; W20-L55 HydrophobicContact CE3-CG 4.48Å; W20-L55 HydrophobicContact CG-CB 3.84Å; W20-L55 HydrophobicContact CZ2-CB 4.42Å; W20-L55 HydrophobicContact CZ3-CB 4.43Å; W20-L55 HydrophobicContact CZ3-CD1 4.32Å; W20-L55 PolarHBondContact NE1-O 3.22Å
21K93.9Very high89.7Confident41 Ų4172.6 Ų72.618%0.17838%0.375CS..  trans-58137.1179.7-176.6174.588.684.40110.1L18 G23 D24 E25 A30 V91L18-K21 HydrophobicContact CD2-CD 4.39Å; L18-K21 WeakPolarHBondContact O-CB 3.33Å; L18-K21 PolarHBondContact O-N 3.41Å; K21-G23 PolarHBondContact NZ-O 3.09Å; K21-D24 VanDerWaalsContact NZ-C 3.3Å; K21-D24 PolarHBondContact NZ-O 3.41Å; K21-E25 PolarHBondContact NZ-O 3.15Å; K21-E25 VanDerWaalsContact NZ-O 3.14Å; K21-A30 HydrophobicContact CD-CB 3.56Å; K21-V91 WeakPolarHBondContact CA-O 3.18Å; K21-V91 HydrophobicContact CG-CG1 4.46Å
22Q92.9Very high90.2Very high90 Ų9075.3 Ų75.342%0.42138%0.382SS..  trans-98.5139.8175-61.1-55.5-53.300110.9W20 V91 W92 P95W20-Q22 PolarHBondContact O-N 3.37Å; W20-Q22 PolarHBondContact O-NE2 3.26Å; Q22-V91 PolarHBondContact N-O 3.07Å; Q22-W92 VanDerWaalsContact CG-O 3.26Å; Q22-W92 WeakPolarHBondContact CG-O 3.4Å; Q22-P95 HydrophobicContact CB-CG 3.5Å; Q22-P95 VanDerWaalsContact CB-CG 3.5Å; Q22-P95 VanDerWaalsContact O-CG 3.23Å; Q22-P95 WeakPolarHBondContact O-CG 3.3Å
23G88Confident90.5Very high41 Ų4170.7 Ų70.742%0.42335%0.352SS..SBendtrans64160.7-17500000113.7K21K21-G23 PolarHBondContact NZ-O 3.09Å
24D78.4Confident90.9Very high152 Ų15270 Ų7081%0.81335%0.346SS*.SBendtrans-90.3-28.2-178.5-64.1-52.8000113.4K21K21-D24 VanDerWaalsContact NZ-C 3.3Å; K21-D24 PolarHBondContact NZ-O 3.41Å
25E72.8Confident91Very high165 Ų16572.4 Ų72.477%0.77136%0.359SS*.THydrogen-bonded Turntrans-56155.2-176.8-61.4-164.3159.600114K21 E27K21-E25 PolarHBondContact NZ-O 3.15Å; K21-E25 VanDerWaalsContact NZ-O 3.14Å; E25-E27 PolarHBondContact O-N 2.91Å; E25-E27 VanDerWaalsContact O-N 3.08Å
26E83.3Confident91.1Very high65 Ų6567.4 Ų67.430%0.30434%0.342SS..THydrogen-bonded Turntrans54.126.6174.6-45.4-149.8102.100115.9K28 W29 A30 R80 R90E26-K28 PolarHBondContact O-N 2.92Å; E26-W29 HydrophobicContact CB-CB 4.29Å; E26-W29 HydrophobicContact CB-CE3 4.48Å; E26-W29 WeakPolarHBondContact O-CA 3.27Å; E26-W29 WeakPolarHBondContact O-CB 3.37Å; E26-W29 PolarHBondContact O-N 3.43Å; E26-A30 PolarHBondContact O-N 2.81Å; E26-R80 IonicContact OE1-CZ 2.82Å; E26-R80 IonicContact OE1-NH1 4Å; E26-R80 PolarHBondContact OE1-NH1 3.46Å; E26-R80 IonicContact OE1-NH2 2.57Å; E26-R80 PolarHBondContact OE1-NH2 3.09Å; E26-R80 IonicContact OE2-CZ 2.72Å; E26-R80 IonicContact OE2-NH1 3.28Å; E26-R80 PolarHBondContact OE2-NH1 2.66Å; E26-R90 IonicContact OE2-CZ 2.64Å; E26-R90 IonicContact OE2-NH1 3.82Å; E26-R90 PolarHBondContact OE2-NH1 2.77Å; E26-R90 IonicContact OE2-NH2 3.51Å; E26-R90 PolarHBondContact OE2-NH2 2.9Å
27E87.5Confident91.2Very high122 Ų12261.4 Ų61.457%0.5732%0.319SS*.Hα-helixtrans-45.6-51.9-177.7-172.3-169.8-156.900113.8E25 W29 A30 E31E25-E27 PolarHBondContact O-N 2.91Å; E25-E27 VanDerWaalsContact O-N 3.08Å; E27-W29 PolarHBondContact O-N 2.95Å; E27-W29 VanDerWaalsContact O-N 3.11Å; E27-A30 PolarHBondContact O-N 2.56Å; E27-E31 WeakPolarHBondContact O-CB 3.25Å; E27-E31 PolarHBondContact O-N 3.41Å
28K90.3Very high91.2Very high163 Ų16361.5 Ų61.571%0.70932%0.32SS*.Hα-helixtrans-63.3-15.3178.5-65.6178.9-178.9173.70114.5E26 K32E26-K28 PolarHBondContact O-N 2.92Å; K28-K32 WeakPolarHBondContact O-CD 3.27Å; K28-K32 WeakPolarHBondContact O-CG 3.16Å
29W92.2Very high91.1Very high36 Ų3665.8 Ų65.814%0.13634%0.337CS..Hα-helixtrans-89.8-42.1170.4171.884.8000111E26 E27 E31 K32 A33 I87 V91E26-W29 HydrophobicContact CB-CB 4.29Å; E26-W29 HydrophobicContact CB-CE3 4.48Å; E26-W29 WeakPolarHBondContact O-CA 3.27Å; E26-W29 WeakPolarHBondContact O-CB 3.37Å; E26-W29 PolarHBondContact O-N 3.43Å; E27-W29 PolarHBondContact O-N 2.95Å; E27-W29 VanDerWaalsContact O-N 3.11Å; W29-E31 PolarHBondContact O-N 3.34Å; W29-K32 PolarHBondContact O-N 3.04Å; W29-A33 PolarHBondContact O-N 3.33Å; W29-I87 HydrophobicContact CH2-CG2 3.95Å; W29-I87 HydrophobicContact CZ2-CG1 4.28Å; W29-I87 HydrophobicContact CZ2-CG2 4.06Å; W29-V91 HydrophobicContact CH2-CG2 4.29Å; W29-V91 HydrophobicContact CZ3-CG2 3.85Å
30A93.8Very high91.1Very high4 Ų466 Ų663%0.03332%0.319CS..Hα-helixtrans-61.3-42.617500000111.9L18 K21 E26 E27 K32 A33 V34 V91L18-A30 HydrophobicContact CD2-CB 4.26Å; K21-A30 HydrophobicContact CD-CB 3.56Å; E26-A30 PolarHBondContact O-N 2.81Å; E27-A30 PolarHBondContact O-N 2.56Å; A30-K32 VanDerWaalsContact C-N 3.31Å; A30-K32 PolarHBondContact O-N 2.79Å; A30-A33 WeakPolarHBondContact O-CB 3.44Å; A30-A33 PolarHBondContact O-N 3.25Å; A30-A33 VanDerWaalsContact O-N 3.07Å; A30-V34 WeakPolarHBondContact O-CG2 3.36Å; A30-V34 PolarHBondContact O-N 3.02Å; A30-V91 HydrophobicContact CB-CG2 4.21Å
31E94.4Very high91.1Very high61 Ų6162.8 Ų62.829%0.28531%0.307SS..Hα-helixtrans-52-49172.8-174-163.4165.700111.5T10 L18 E27 W29 V34 D35T10-E31 HydrophobicContact CG2-CG 3.88Å; T10-E31 WeakPolarHBondContact CG2-OE1 3.37Å; L18-E31 HydrophobicContact CD1-CB 4.27Å; L18-E31 HydrophobicContact CD1-CG 4.25Å; E27-E31 WeakPolarHBondContact O-CB 3.25Å; E27-E31 PolarHBondContact O-N 3.41Å; W29-E31 PolarHBondContact O-N 3.34Å; E31-V34 PolarHBondContact O-N 2.8Å; E31-D35 WeakPolarHBondContact O-CB 3.37Å; E31-D35 PolarHBondContact O-N 2.89Å
32K94.4Very high91Very high98 Ų9867.5 Ų67.543%0.42633%0.327SS..Hα-helixtrans-68-34.1177.1-68.5177.1179.4177.30112.8K28 W29 A30 A36 V77 S78K28-K32 WeakPolarHBondContact O-CD 3.27Å; K28-K32 WeakPolarHBondContact O-CG 3.16Å; W29-K32 PolarHBondContact O-N 3.04Å; A30-K32 VanDerWaalsContact C-N 3.31Å; A30-K32 PolarHBondContact O-N 2.79Å; K32-A36 WeakPolarHBondContact O-CB 3.25Å; K32-A36 PolarHBondContact O-N 2.97Å; K32-V77 HydrophobicContact CB-CG1 3.91Å; K32-S78 PolarHBondContact NZ-OG 3.21Å
33A95Very high90.9Very high0 Ų072 Ų720%035%0.346CS..Hα-helixtrans-66.8-42.3176.200000111.4W29 A30 L37 V77 I87 Y88 V91W29-A33 PolarHBondContact O-N 3.33Å; A30-A33 WeakPolarHBondContact O-CB 3.44Å; A30-A33 PolarHBondContact O-N 3.25Å; A30-A33 VanDerWaalsContact O-N 3.07Å; A33-L37 PolarHBondContact O-N 3.33Å; A33-L37 VanDerWaalsContact O-N 3.12Å; A33-V77 HydrophobicContact CB-CG1 3.97Å; A33-V77 HydrophobicContact CB-CG2 4.24Å; A33-I87 HydrophobicContact CB-CG2 4.02Å; A33-Y88 HydrophobicContact CB-CE1 4.31Å; A33-Y88 WeakPolarHBondContact O-CE1 3.48Å; A33-Y88 PolarHBondContact O-OH 3.02Å; A33-V91 HydrophobicContact CB-CG2 4.47Å
34V96.3Very high91Very high0 Ų074 Ų740%034%0.343CS..Hα-helixtrans-72.5-44.4178.9175.10000111.1V14 L17 L18 A30 E31 A36 L37 V38 V91 W92V14-V34 HydrophobicContact CB-CG1 4.33Å; V14-V34 HydrophobicContact CG1-CB 4.38Å; V14-V34 HydrophobicContact CG1-CG1 3.99Å; V14-V34 HydrophobicContact CG2-CG1 4.39Å; L17-V34 HydrophobicContact CB-CG1 3.55Å; L17-V34 HydrophobicContact CD1-CG1 4.04Å; L17-V34 HydrophobicContact CG-CG1 4.47Å; L18-V34 HydrophobicContact CD2-CB 4.37Å; L18-V34 HydrophobicContact CD2-CG2 3.93Å; L18-V34 HydrophobicContact CG-CG2 4.41Å; A30-V34 WeakPolarHBondContact O-CG2 3.36Å; A30-V34 PolarHBondContact O-N 3.02Å; E31-V34 PolarHBondContact O-N 2.8Å; V34-A36 VanDerWaalsContact C-N 3.35Å; V34-A36 PolarHBondContact O-N 3.04Å; V34-L37 WeakPolarHBondContact O-CA 3.47Å; V34-L37 WeakPolarHBondContact O-CB 3.45Å; V34-L37 PolarHBondContact O-N 2.92Å; V34-V38 HydrophobicContact CG1-CG2 4.34Å; V34-V38 WeakPolarHBondContact O-CG2 3.47Å; V34-V38 PolarHBondContact O-N 3.33Å; V34-V91 HydrophobicContact CG2-CG1 4.15Å; V34-W92 HydrophobicContact CG2-CZ2 3.94Å
35D94.8Very high91.6Very high52 Ų5277.1 Ų77.128%0.27835%0.349SS..Hα-helixtrans-58.1-44.5173.2168.872.8000112.4V14 E31 L37 V38 K39V14-D35 HydrophobicContact CG2-CB 4.12Å; E31-D35 WeakPolarHBondContact O-CB 3.37Å; E31-D35 PolarHBondContact O-N 2.89Å; D35-L37 PolarHBondContact O-N 2.86Å; D35-V38 PolarHBondContact O-N 2.82Å; D35-K39 WeakPolarHBondContact O-CG 3.33Å; D35-K39 PolarHBondContact O-N 2.95Å; D35-K39 VanDerWaalsContact O-N 3.08Å; D35-K39 WeakPolarHBondContact OD1-CE 3.35Å; D35-K39 IonicContact OD1-NZ 3.73Å; D35-K39 PolarHBondContact OD1-NZ 3.04Å; D35-K39 WeakPolarHBondContact OD2-CE 3.31Å; D35-K39 IonicContact OD2-NZ 2.76Å; D35-K39 PolarHBondContact OD2-NZ 3.3Å
36A93.6Very high92.5Very high25 Ų2570.6 Ų70.621%0.20733%0.326CS..Hα-helixtrans-62.2-29.3174.400000113K32 V34 K40K32-A36 WeakPolarHBondContact O-CB 3.25Å; K32-A36 PolarHBondContact O-N 2.97Å; V34-A36 VanDerWaalsContact C-N 3.35Å; V34-A36 PolarHBondContact O-N 3.04Å; A36-K40 WeakPolarHBondContact O-CD 3.49Å; A36-K40 WeakPolarHBondContact O-CG 3.39Å
37L95.8Very high93.1Very high0 Ų068 Ų680%032%0.315CS..Hα-helixtrans-75.9-48.6173.4-172.864.4000112.2A33 V34 D35 K39 K40 L41 L51 I67 Y88 W92 I122A33-L37 PolarHBondContact O-N 3.33Å; A33-L37 VanDerWaalsContact O-N 3.12Å; V34-L37 WeakPolarHBondContact O-CA 3.47Å; V34-L37 WeakPolarHBondContact O-CB 3.45Å; V34-L37 PolarHBondContact O-N 2.92Å; D35-L37 PolarHBondContact O-N 2.86Å; L37-K39 PolarHBondContact O-N 3.26Å; L37-K40 CarbonylContact O-C 3.5Å; L37-K40 WeakPolarHBondContact O-CA 3.49Å; L37-K40 WeakPolarHBondContact O-CB 3.32Å; L37-K40 PolarHBondContact O-N 3.12Å; L37-L41 HydrophobicContact CD1-CD1 4.1Å; L37-L41 HydrophobicContact CD1-CD2 4.31Å; L37-L41 HydrophobicContact CD1-CG 3.96Å; L37-L41 HydrophobicContact CD2-CD1 3.82Å; L37-L41 HydrophobicContact CG-CD1 3.64Å; L37-L41 HydrophobicContact CG-CG 3.88Å; L37-L41 PolarHBondContact O-N 3.03Å; L37-L51 HydrophobicContact CD2-CD2 3.66Å; L37-I67 HydrophobicContact CD1-CG2 3.58Å; L37-Y88 HydrophobicContact CB-CE1 3.84Å; L37-Y88 HydrophobicContact CD1-CE2 4Å; L37-Y88 HydrophobicContact CD2-CD1 4.05Å; L37-Y88 HydrophobicContact CD2-CE1 3.9Å; L37-Y88 HydrophobicContact CD2-CG 4.49Å; L37-Y88 HydrophobicContact CG-CE1 4.3Å; L37-W92 HydrophobicContact CD2-CH2 3.56Å; L37-W92 HydrophobicContact CD2-CZ3 4.09Å; L37-I122 HydrophobicContact CD1-CD1 4.13Å; L37-I122 HydrophobicContact CD1-CG1 4.06Å; L37-I122 HydrophobicContact CD2-CD1 3.89Å
38V95.3Very high93.4Very high3 Ų363.3 Ų63.32%0.01829%0.294CS..Hα-helixtrans-57.1-37.6-179.8172.70000110.7A13 V14 L17 V34 D35 K40 K42A13-V38 HydrophobicContact CB-CG1 4.26Å; A13-V38 HydrophobicContact CB-CG2 4.45Å; V14-V38 HydrophobicContact CG2-CB 4.16Å; V14-V38 HydrophobicContact CG2-CG2 3.85Å; L17-V38 HydrophobicContact CD1-CG2 3.55Å; V34-V38 HydrophobicContact CG1-CG2 4.34Å; V34-V38 WeakPolarHBondContact O-CG2 3.47Å; V34-V38 PolarHBondContact O-N 3.33Å; D35-V38 PolarHBondContact O-N 2.82Å; V38-K40 PolarHBondContact O-N 3.11Å; V38-K42 HydrophobicContact CG1-CD 3.93Å; V38-K42 VanDerWaalsContact CG1-CE 3.5Å; V38-K42 HydrophobicContact CG1-CG 4.27Å; V38-K42 WeakPolarHBondContact O-CB 3.39Å; V38-K42 VanDerWaalsContact O-CG 3.25Å; V38-K42 WeakPolarHBondContact O-CG 3.2Å; V38-K42 PolarHBondContact O-N 3.48Å
39K93Very high93.6Very high127 Ų12761 Ų6155%0.55229%0.286SS*.Hα-helixtrans-65.7-20.1173.7-73167.2177.2164.80114.5D35 L37D35-K39 WeakPolarHBondContact O-CG 3.33Å; D35-K39 PolarHBondContact O-N 2.95Å; D35-K39 VanDerWaalsContact O-N 3.08Å; D35-K39 WeakPolarHBondContact OD1-CE 3.35Å; D35-K39 IonicContact OD1-NZ 3.73Å; D35-K39 PolarHBondContact OD1-NZ 3.04Å; D35-K39 WeakPolarHBondContact OD2-CE 3.31Å; D35-K39 IonicContact OD2-NZ 2.76Å; D35-K39 PolarHBondContact OD2-NZ 3.3Å; L37-K39 PolarHBondContact O-N 3.26Å
40K93.1Very high93.8Very high72 Ų7261.6 Ų61.631%0.31329%0.29SS..Hα-helixtrans-90.2-50.7172.3-68166.5179.4-76.50111.5A36 L37 V38 K42 K43 I67A36-K40 WeakPolarHBondContact O-CD 3.49Å; A36-K40 WeakPolarHBondContact O-CG 3.39Å; L37-K40 CarbonylContact O-C 3.5Å; L37-K40 WeakPolarHBondContact O-CA 3.49Å; L37-K40 WeakPolarHBondContact O-CB 3.32Å; L37-K40 PolarHBondContact O-N 3.12Å; V38-K40 PolarHBondContact O-N 3.11Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 2.89Å; K40-K43 WeakPolarHBondContact O-CB 3.49Å; K40-K43 PolarHBondContact O-N 3.43Å; K40-I67 HydrophobicContact CB-CG2 4.19Å; K40-I67 HydrophobicContact CD-CB 4.37Å; K40-I67 HydrophobicContact CD-CD1 4.07Å; K40-I67 HydrophobicContact CD-CG2 4.19Å
41L94.8Very high93.9Very high2 Ų261.4 Ų61.41%0.0129%0.289CS..Hα-helixtrans-63.8-32.1-176.8-63.3179.8000112.6L37 K43 K44 A47 L51 V65 I67L37-L41 HydrophobicContact CD1-CD1 4.1Å; L37-L41 HydrophobicContact CD1-CD2 4.31Å; L37-L41 HydrophobicContact CD1-CG 3.96Å; L37-L41 HydrophobicContact CD2-CD1 3.82Å; L37-L41 HydrophobicContact CG-CD1 3.64Å; L37-L41 HydrophobicContact CG-CG 3.88Å; L37-L41 PolarHBondContact O-N 3.03Å; L41-K43 PolarHBondContact O-N 3.4Å; L41-K44 PolarHBondContact O-N 3.36Å; L41-K44 VanDerWaalsContact O-O 3.09Å; L41-A47 HydrophobicContact CD2-CB 4.04Å; L41-L51 HydrophobicContact CD1-CB 4.41Å; L41-L51 HydrophobicContact CD1-CD2 3.59Å; L41-V65 HydrophobicContact CD1-CG1 4.17Å; L41-V65 HydrophobicContact CD2-CG1 3.82Å; L41-I67 HydrophobicContact CD2-CG2 4.17Å
42K91.8Very high93.9Very high140 Ų14059.9 Ų59.961%0.60928%0.281SS*.THydrogen-bonded Turntrans-57.4-10170.6-78.9176.9176.1178.20114.9V38 K40V38-K42 HydrophobicContact CG1-CD 3.93Å; V38-K42 VanDerWaalsContact CG1-CE 3.5Å; V38-K42 HydrophobicContact CG1-CG 4.27Å; V38-K42 WeakPolarHBondContact O-CB 3.39Å; V38-K42 VanDerWaalsContact O-CG 3.25Å; V38-K42 WeakPolarHBondContact O-CG 3.2Å; V38-K42 PolarHBondContact O-N 3.48Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 2.89Å
43K90.9Very high94Very high185 Ų18560.4 Ų60.480%0.80428%0.284SS*.THydrogen-bonded Turntrans-92.6-11.4173.2-55.1-169.7177.7-166.80114.1K40 L41K40-K43 WeakPolarHBondContact O-CB 3.49Å; K40-K43 PolarHBondContact O-N 3.43Å; L41-K43 PolarHBondContact O-N 3.4Å
44K90.4Very high94Very high82 Ų8260.4 Ų60.436%0.35728%0.284SS..SBendtrans-122.6100.8-179.3-169.3170.8-177172.20108.7L41 G46 A47 T66 E119L41-K44 PolarHBondContact O-N 3.36Å; L41-K44 VanDerWaalsContact O-O 3.09Å; K44-G46 PolarHBondContact O-N 3.27Å; K44-A47 HydrophobicContact CB-CB 3.9Å; K44-A47 HydrophobicContact CD-CB 4.25Å; K44-A47 HydrophobicContact CG-CB 3.98Å; K44-A47 VanDerWaalsContact O-CB 3.25Å; K44-A47 WeakPolarHBondContact O-CB 3.33Å; K44-A47 PolarHBondContact O-N 3.47Å; K44-T66 PolarHBondContact NZ-OG1 3.34Å; K44-E119 IonicContact NZ-OE1 3.32Å; K44-E119 PolarHBondContact NZ-OE1 3.12Å; K44-E119 IonicContact NZ-OE2 2.73Å; K44-E119 PolarHBondContact NZ-OE2 3Å
45K90.8Very high94Very high217 Ų21760.5 Ų60.594%0.94328%0.284SS*.THydrogen-bonded Turntrans-52.6132.2-177.9-174.6-177.3179-174.60110.5A47K45-A47 VanDerWaalsContact C-N 3.28Å; K45-A47 PolarHBondContact O-N 2.85Å
46G91.6Very high94Very high29 Ų2961.2 Ų61.230%0.29929%0.293SS..THydrogen-bonded Turntrans85-20-17800000115K44 M48 E49 E50K44-G46 PolarHBondContact O-N 3.27Å; G46-M48 PolarHBondContact O-N 3.42Å; G46-E49 WeakPolarHBondContact CA-OE2 3.39Å; G46-E49 PolarHBondContact N-OE2 2.93Å; G46-E49 PolarHBondContact O-N 2.94Å; G46-E50 WeakPolarHBondContact O-CB 3.27Å; G46-E50 VanDerWaalsContact O-CG 3.3Å; G46-E50 WeakPolarHBondContact O-CG 3.41Å; G46-E50 PolarHBondContact O-N 2.83Å
47A94.4Very high94Very high9 Ų962 Ų627%0.07430%0.297CS..THydrogen-bonded Turntrans-74.6-10.7-174.700000114.1L41 K44 K45L41-A47 HydrophobicContact CD2-CB 4.04Å; K44-A47 HydrophobicContact CB-CB 3.9Å; K44-A47 HydrophobicContact CD-CB 4.25Å; K44-A47 HydrophobicContact CG-CB 3.98Å; K44-A47 VanDerWaalsContact O-CB 3.25Å; K44-A47 WeakPolarHBondContact O-CB 3.33Å; K44-A47 PolarHBondContact O-N 3.47Å; K45-A47 VanDerWaalsContact C-N 3.28Å; K45-A47 PolarHBondContact O-N 2.85Å
48M95.1Very high93.7Very high25 Ų2565.9 Ų65.912%0.12332%0.322CS..THydrogen-bonded Turntrans-86-43.4174.5-149.7-68.2-53.400109.3A13 G46 L51 E52A13-M48 HydrophobicContact CB-SD 4.24Å; G46-M48 PolarHBondContact O-N 3.42Å; M48-L51 WeakPolarHBondContact O-CB 3.42Å; M48-L51 PolarHBondContact O-N 3.01Å; M48-E52 VanDerWaalsContact CE-CD 3.48Å; M48-E52 HydrophobicContact CE-CG 4.28Å; M48-E52 WeakPolarHBondContact CE-OE1 3.3Å; M48-E52 PolarHBondContact O-N 2.76Å; M48-E52 HydrophobicContact SD-CG 4.06Å; M48-E52 VanDerWaalsContact SD-OE1 3.35Å
49E94.6Very high93Very high113 Ų11369.1 Ų69.153%0.52836%0.356SS..Hα-helixtrans-66.8-40.8177.4-59.178.6-178.400111.7G46 L51 E52 K53G46-E49 WeakPolarHBondContact CA-OE2 3.39Å; G46-E49 PolarHBondContact N-OE2 2.93Å; G46-E49 PolarHBondContact O-N 2.94Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3.3Å; E49-E52 PolarHBondContact O-N 3.12Å; E49-K53 WeakPolarHBondContact O-CB 3.45Å; E49-K53 PolarHBondContact O-N 3.1Å
50E95.3Very high92.9Very high50 Ų5068.8 Ų68.823%0.23436%0.357CS..Hα-helixtrans-59.6-39.1170.5-75.6-77.7-176.200112.4G46 A54 N63 V65G46-E50 WeakPolarHBondContact O-CB 3.27Å; G46-E50 VanDerWaalsContact O-CG 3.3Å; G46-E50 WeakPolarHBondContact O-CG 3.41Å; G46-E50 PolarHBondContact O-N 2.83Å; E50-A54 WeakPolarHBondContact O-CB 3.5Å; E50-A54 PolarHBondContact O-N 3.04Å; E50-N63 PolarHBondContact OE1-ND2 3.22Å; E50-V65 HydrophobicContact CB-CG2 3.91Å
51L96.4Very high92.8Very high0 Ų071.4 Ų71.40%038%0.381CS..Hα-helixtrans-70.1-44.8177.9-177.961.2000111.7L17 L37 L41 M48 E49 K53 A54 L55 V65 W92 I122L17-L51 HydrophobicContact CD1-CD2 4.18Å; L17-L51 HydrophobicContact CD2-CD2 3.77Å; L17-L51 HydrophobicContact CD2-CG 3.95Å; L37-L51 HydrophobicContact CD2-CD2 3.66Å; L41-L51 HydrophobicContact CD1-CB 4.41Å; L41-L51 HydrophobicContact CD1-CD2 3.59Å; M48-L51 WeakPolarHBondContact O-CB 3.42Å; M48-L51 PolarHBondContact O-N 3.01Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3.3Å; L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 3.09Å; L51-A54 PolarHBondContact O-N 3.31Å; L51-L55 HydrophobicContact CD1-CD1 4.07Å; L51-L55 HydrophobicContact CD1-CG 4.19Å; L51-L55 HydrophobicContact CG-CD1 3.98Å; L51-L55 HydrophobicContact CG-CG 4.48Å; L51-L55 WeakPolarHBondContact O-CB 3.36Å; L51-L55 VanDerWaalsContact O-CG 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.39Å; L51-L55 PolarHBondContact O-N 3.24Å; L51-V65 HydrophobicContact CB-CG1 4.05Å; L51-V65 HydrophobicContact CB-CG2 4.01Å; L51-V65 HydrophobicContact CD1-CG1 4.4Å; L51-V65 HydrophobicContact CD1-CG2 4.36Å; L51-W92 HydrophobicContact CD1-CH2 4.43Å; L51-W92 HydrophobicContact CD1-CZ3 4.12Å; L51-W92 HydrophobicContact CD2-CH2 3.81Å; L51-W92 HydrophobicContact CD2-CZ2 4.5Å; L51-W92 HydrophobicContact CD2-CZ3 4.26Å; L51-I122 HydrophobicContact CD1-CD1 4.26Å
52E95.4Very high92.9Very high29 Ų2972.2 Ų72.214%0.13639%0.387CS..Hα-helixtrans-63.3-39176.6-69.1-174168.400111.3R16 L17 W20 M48 E49 L55 S56R16-E52 WeakPolarHBondContact CD-OE1 3.46Å; R16-E52 IonicContact CZ-OE1 3.7Å; R16-E52 IonicContact CZ-OE2 2.76Å; R16-E52 IonicContact NE-OE1 3.51Å; R16-E52 IonicContact NH1-OE1 2.73Å; R16-E52 PolarHBondContact NH1-OE1 3.11Å; R16-E52 IonicContact NH1-OE2 3.18Å; R16-E52 PolarHBondContact NH1-OE2 2.8Å; L17-E52 HydrophobicContact CD2-CG 3.97Å; W20-E52 HydrophobicContact CH2-CB 4.15Å; W20-E52 HydrophobicContact CH2-CG 4.15Å; W20-E52 HydrophobicContact CZ3-CG 4.14Å; M48-E52 VanDerWaalsContact CE-CD 3.48Å; M48-E52 HydrophobicContact CE-CG 4.28Å; M48-E52 WeakPolarHBondContact CE-OE1 3.3Å; M48-E52 PolarHBondContact O-N 2.76Å; M48-E52 HydrophobicContact SD-CG 4.06Å; M48-E52 VanDerWaalsContact SD-OE1 3.35Å; E49-E52 PolarHBondContact O-N 3.12Å; E52-L55 PolarHBondContact O-N 2.78Å; E52-S56 VanDerWaalsContact O-CB 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 3.42Å; E52-S56 PolarHBondContact O-OG 3.08Å; E52-S56 VanDerWaalsContact O-OG 3.11Å
53K94.8Very high93Very high108 Ų10870.2 Ų70.247%0.4738%0.383SS..Hα-helixtrans-61.4-46171.9-177-173.2173.6-168.40112.4E49 L51 L55 S56 C57E49-K53 WeakPolarHBondContact O-CB 3.45Å; E49-K53 PolarHBondContact O-N 3.1Å; L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 3.09Å; K53-L55 VanDerWaalsContact C-N 3.33Å; K53-L55 PolarHBondContact O-N 3.05Å; K53-S56 WeakPolarHBondContact CA-OG 3.48Å; K53-S56 PolarHBondContact O-N 3.02Å; K53-S56 PolarHBondContact O-OG 3.33Å; K53-S56 VanDerWaalsContact O-OG 3.12Å; K53-C57 WeakPolarHBondContact O-CB 3.33Å; K53-C57 PolarHBondContact O-N 3.12Å
54A95.8Very high93.3Very high1 Ų162.5 Ų62.51%0.00835%0.352CS..Hα-helixtrans-63.7-38.317900000112.1E50 L51 Y125E50-A54 WeakPolarHBondContact O-CB 3.5Å; E50-A54 PolarHBondContact O-N 3.04Å; L51-A54 PolarHBondContact O-N 3.31Å; A54-Y125 VanDerWaalsContact O-CD2 3.27Å; A54-Y125 WeakPolarHBondContact O-CD2 3.29Å; A54-Y125 WeakPolarHBondContact O-CE2 3.33Å
55L96.2Very high93.6Very high2 Ų258.7 Ų58.71%0.0134%0.336CS..Hα-helixtrans-75.7-33176.8-65.9172.5000113L17 W20 L51 E52 K53 W92 P124 Y125L17-L55 HydrophobicContact CD2-CD1 3.59Å; W20-L55 HydrophobicContact CB-CB 4.37Å; W20-L55 HydrophobicContact CB-CD1 4.49Å; W20-L55 HydrophobicContact CB-CD2 4.5Å; W20-L55 HydrophobicContact CD2-CB 3.63Å; W20-L55 HydrophobicContact CD2-CD1 4.21Å; W20-L55 HydrophobicContact CE3-CB 3.92Å; W20-L55 HydrophobicContact CE3-CD1 3.75Å; W20-L55 HydrophobicContact CE3-CG 4.48Å; W20-L55 HydrophobicContact CG-CB 3.84Å; W20-L55 HydrophobicContact CZ2-CB 4.42Å; W20-L55 HydrophobicContact CZ3-CB 4.43Å; W20-L55 HydrophobicContact CZ3-CD1 4.32Å; W20-L55 PolarHBondContact NE1-O 3.22Å; L51-L55 HydrophobicContact CD1-CD1 4.07Å; L51-L55 HydrophobicContact CD1-CG 4.19Å; L51-L55 HydrophobicContact CG-CD1 3.98Å; L51-L55 HydrophobicContact CG-CG 4.48Å; L51-L55 WeakPolarHBondContact O-CB 3.36Å; L51-L55 VanDerWaalsContact O-CG 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.39Å; L51-L55 PolarHBondContact O-N 3.24Å; E52-L55 PolarHBondContact O-N 2.78Å; K53-L55 VanDerWaalsContact C-N 3.33Å; K53-L55 PolarHBondContact O-N 3.05Å; L55-W92 HydrophobicContact CD1-CD2 4.05Å; L55-W92 HydrophobicContact CD1-CG 4.37Å; L55-W92 HydrophobicContact CD1-CZ2 4.12Å; L55-W92 HydrophobicContact CD2-CB 3.78Å; L55-W92 HydrophobicContact CD2-CD2 3.83Å; L55-W92 HydrophobicContact CD2-CE3 4.25Å; L55-W92 HydrophobicContact CD2-CG 3.6Å; L55-P124 HydrophobicContact CD2-CG 3.89Å; L55-Y125 HydrophobicContact CD2-CE2 4.25Å
56S95.5Very high93.9Very high66 Ų6648.5 Ų48.546%0.46229%0.292SS..Hα-helixtrans-77.3-21.7176.767.50000114.2E52 K53 P58E52-S56 VanDerWaalsContact O-CB 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 3.42Å; E52-S56 PolarHBondContact O-OG 3.08Å; E52-S56 VanDerWaalsContact O-OG 3.11Å; K53-S56 WeakPolarHBondContact CA-OG 3.48Å; K53-S56 PolarHBondContact O-N 3.02Å; K53-S56 PolarHBondContact O-OG 3.33Å; K53-S56 VanDerWaalsContact O-OG 3.12Å; S56-P58 VanDerWaalsContact C-CD 3.45Å; S56-P58 WeakPolarHBondContact O-CD 3.37Å
57C92.7Very high94.1Very high42 Ų4247.3 Ų47.328%0.28428%0.279SS..SBendtrans-125.166.2-177.5-58.90000112.4K53 G59 Q60K53-C57 WeakPolarHBondContact O-CB 3.33Å; K53-C57 PolarHBondContact O-N 3.12Å; C57-G59 PolarHBondContact O-N 2.85Å; C57-Q60 HydrophobicContact CB-CB 4.24Å; C57-Q60 HydrophobicContact CB-CG 4.2Å; C57-Q60 PolarHBondContact O-N 3.39Å
58P88.9Confident94.1Very high81 Ų8151.1 Ų51.153%0.52630%0.302SS..THydrogen-bonded Turntrans-52.1134.4179.7-26.935.5000113S56 Q60 Y125S56-P58 VanDerWaalsContact C-CD 3.45Å; S56-P58 WeakPolarHBondContact O-CD 3.37Å; P58-Q60 PolarHBondContact O-N 2.75Å; P58-Y125 HydrophobicContact CB-CE1 3.76Å
59G80.5Confident94.1Very high72 Ų7253.4 Ų53.474%0.74231%0.309SS*.THydrogen-bonded Turntrans77.6-6.5176.900000115.9C57C57-G59 PolarHBondContact O-N 2.85Å
60Q91.3Very high93.9Very high119 Ų11950.2 Ų50.256%0.55630%0.3SS*.SBendtrans-80.2150.7171.8-65.4-167.8300112.1C57 P58 S62C57-Q60 HydrophobicContact CB-CB 4.24Å; C57-Q60 HydrophobicContact CB-CG 4.2Å; C57-Q60 PolarHBondContact O-N 3.39Å; P58-Q60 PolarHBondContact O-N 2.75Å; Q60-S62 PolarHBondContact O-N 2.81Å
61P92.6Very high93.6Very high127 Ų12757.1 Ų57.183%0.82534%0.337SS*.  trans-54127.3169.5-26.335.6000112
62S94.9Very high93.1Very high20 Ų2060.6 Ų60.614%0.1436%0.356CS..  trans-144.3155.1-17848.10000109.6Q60 N123 H126Q60-S62 PolarHBondContact O-N 2.81Å; S62-N123 PolarHBondContact OG-ND2 2.97Å; S62-H126 PolarHBondContact O-CE1 2.7Å; S62-H126 PolarHBondContact O-NE2 3.49Å
63N95.4Very high92.8Very high97 Ų9759.4 Ų59.452%0.51935%0.352SS..  trans-78.8167.5-177.1-63.6-37.7000111.8E50 V65 N123 H126E50-N63 PolarHBondContact OE1-ND2 3.22Å; N63-V65 PolarHBondContact O-N 2.67Å; N63-V65 VanDerWaalsContact O-N 3.15Å; N63-N123 PolarHBondContact O-ND2 3.28Å; N63-N123 VanDerWaalsContact O-ND2 3.09Å; N63-H126 VanDerWaalsContact C-CE1 3.42Å; N63-H126 PolarHBondContact O-CE1 3.48Å
64C96.4Very high92.6Very high23 Ų2360 Ų6016%0.15535%0.351CS..  trans-70.1108.5174.5-710000111T66 E110 F111 C121 H126C64-T66 HydrophobicContact CB-CG2 3.95Å; C64-T66 PolarHBondContact O-N 2.91Å; C64-E110 PolarHBondContact SG-N 3.27Å; C64-F111 HydrophobicContact CB-CD2 3.65Å; C64-F111 HydrophobicContact CB-CE2 4.34Å; C64-C121 HydrophobicContact CB-CB 4.35Å; C64-H126 PolarHBondContact N-CE1 3.08Å; C64-H126 PolarHBondContact SG-CE1 2.88Å; C64-H126 PolarHBondContact SG-ND1 3.41Å
65V97Very high92.5Very high2 Ų260.8 Ų60.81%0.01236%0.355CS..  trans-77.6114.4164.9-176.70000108.1L41 E50 L51 N63 C121 I122 N123L41-V65 HydrophobicContact CD1-CG1 4.17Å; L41-V65 HydrophobicContact CD2-CG1 3.82Å; E50-V65 HydrophobicContact CB-CG2 3.91Å; L51-V65 HydrophobicContact CB-CG1 4.05Å; L51-V65 HydrophobicContact CB-CG2 4.01Å; L51-V65 HydrophobicContact CD1-CG1 4.4Å; L51-V65 HydrophobicContact CD1-CG2 4.36Å; N63-V65 PolarHBondContact O-N 2.67Å; N63-V65 VanDerWaalsContact O-N 3.15Å; V65-C121 CarbonylContact O-C 3.56Å; V65-C121 WeakPolarHBondContact O-CA 3.21Å; V65-I122 HydrophobicContact CB-CD1 4.01Å; V65-I122 HydrophobicContact CG1-CD1 3.49Å; V65-I122 VanDerWaalsContact CG1-CD1 3.49Å; V65-I122 HydrophobicContact CG1-CG1 4.28Å; V65-I122 PolarHBondContact O-N 2.84Å; V65-N123 HydrophobicContact CB-CB 4.16Å; V65-N123 HydrophobicContact CG2-CB 4.23Å
66T96.6Very high92.3Very high4 Ų466 Ų663%0.02538%0.379CS..EExtended strand (participates in β ladder)trans-117.8157.8-171.462.30000114.4K44 C64 F111 E119 V120K44-T66 PolarHBondContact NZ-OG1 3.34Å; C64-T66 HydrophobicContact CB-CG2 3.95Å; C64-T66 PolarHBondContact O-N 2.91Å; T66-F111 HydrophobicContact CG2-CB 3.83Å; T66-F111 HydrophobicContact CG2-CD1 4.27Å; T66-F111 HydrophobicContact CG2-CD2 3.79Å; T66-F111 HydrophobicContact CG2-CE2 4.47Å; T66-F111 HydrophobicContact CG2-CG 3.7Å; T66-E119 VanDerWaalsContact CB-OE1 3.27Å; T66-E119 WeakPolarHBondContact CB-OE1 3.05Å; T66-E119 HydrophobicContact CG2-CB 4.38Å; T66-E119 VanDerWaalsContact OG1-CD 3.22Å; T66-E119 PolarHBondContact OG1-OE1 2.78Å; T66-V120 CarbonylContact C-O 3.59Å; T66-V120 VanDerWaalsContact CA-O 3.27Å; T66-V120 WeakPolarHBondContact CA-O 3.32Å
67I95.9Very high92Very high4 Ų463 Ų632%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-131156.9163.866.7171.7000111.6L37 K40 L41 P84 E119 V120 I122L37-I67 HydrophobicContact CD1-CG2 3.58Å; K40-I67 HydrophobicContact CB-CG2 4.19Å; K40-I67 HydrophobicContact CD-CB 4.37Å; K40-I67 HydrophobicContact CD-CD1 4.07Å; K40-I67 HydrophobicContact CD-CG2 4.19Å; L41-I67 HydrophobicContact CD2-CG2 4.17Å; I67-P84 HydrophobicContact CD1-CB 3.86Å; I67-P84 HydrophobicContact CD1-CG 4.1Å; I67-P84 HydrophobicContact CG1-CB 4.47Å; I67-E119 CarbonylContact O-C 3.38Å; I67-E119 WeakPolarHBondContact O-CA 3.35Å; I67-V120 PolarHBondContact N-O 2.86Å; I67-V120 PolarHBondContact O-N 2.83Å; I67-I122 HydrophobicContact CD1-CG2 4.3Å; I67-I122 HydrophobicContact CG1-CG2 4.13Å; I67-I122 HydrophobicContact CG2-CG1 4.32Å
68P94.9Very high91.8Very high88 Ų8863.1 Ų63.157%0.57136%0.359SS*.EExtended strand (participates in β ladder)trans-60.7136172.2-24.634.7000112.9
69R93.9Very high91.6Very high73 Ų7367.8 Ų67.828%0.27537%0.374SS..PPolyproline II helixtrans-72.7138.6176.1-165.3178.2-174.1111.82.5111F113 Q117 K118 V120R69-F113 PolarHBondContact NH1-O 3.43Å; R69-Q117 WeakPolarHBondContact CD-O 3.45Å; R69-K118 WeakPolarHBondContact CB-O 3.26Å; R69-K118 PolarHBondContact N-O 3.2Å; R69-V120 HydrophobicContact CB-CG2 4.09Å; R69-V120 HydrophobicContact CG-CG2 4.03Å
70S92.3Very high91.8Very high47 Ų4770 Ų7033%0.32936%0.36SS..PPolyproline II helixtrans-84.1161.917049.20000111.6D72 G73 R74S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 PolarHBondContact O-N 3.23Å; S70-D72 PolarHBondContact OG-OD1 3.34Å; S70-G73 PolarHBondContact O-N 2.79Å; S70-G73 WeakPolarHBondContact OG-CA 3.42Å; S70-G73 PolarHBondContact OG-N 3.49Å; S70-R74 PolarHBondContact OG-N 2.87Å; S70-R74 PolarHBondContact OG-O 2.87Å
71L88Confident91.7Very high195 Ų19570.1 Ų70.1100%1.02136%0.358SS*.THydrogen-bonded Turntrans-56.6-37.6-179.4-63.2175000113.3
72D86.4Confident91.7Very high72 Ų7265.1 Ų65.139%0.38533%0.33SS..THydrogen-bonded Turntrans-979.4176.177.4-21.2000113.4S70 R74S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 PolarHBondContact O-N 3.23Å; S70-D72 PolarHBondContact OG-OD1 3.34Å; D72-R74 PolarHBondContact O-N 3.2Å; D72-R74 PolarHBondContact OD1-N 3.46Å; D72-R74 VanDerWaalsContact OD1-N 3.09Å; D72-R74 IonicContact OD2-CZ 2.75Å; D72-R74 IonicContact OD2-NE 2.71Å; D72-R74 PolarHBondContact OD2-NE 3.18Å; D72-R74 IonicContact OD2-NH2 3.94Å; D72-R74 PolarHBondContact OD2-NH2 3.1Å
73G88.8Confident91.6Very high5 Ų565.7 Ų65.75%0.05233%0.331CS..SBendtrans66.7-5.2-17700000116S70 P84S70-G73 PolarHBondContact O-N 2.79Å; S70-G73 WeakPolarHBondContact OG-CA 3.42Å; S70-G73 PolarHBondContact OG-N 3.49Å; G73-P84 VanDerWaalsContact O-CD 3.3Å; G73-P84 WeakPolarHBondContact O-CD 3.27Å
74R91.1Very high91.6Very high120 Ų12061.3 Ų61.345%0.45331%0.308SS..PPolyproline II helixtrans-96.5144-176.9-67.5177.5-62.6-154-3.6112.3S70 D72 K81 G82 L83S70-R74 PolarHBondContact OG-N 2.87Å; S70-R74 PolarHBondContact OG-O 2.87Å; D72-R74 PolarHBondContact O-N 3.2Å; D72-R74 PolarHBondContact OD1-N 3.46Å; D72-R74 VanDerWaalsContact OD1-N 3.09Å; D72-R74 IonicContact OD2-CZ 2.75Å; D72-R74 IonicContact OD2-NE 2.71Å; D72-R74 PolarHBondContact OD2-NE 3.18Å; D72-R74 IonicContact OD2-NH2 3.94Å; D72-R74 PolarHBondContact OD2-NH2 3.1Å; R74-K81 HydrophobicContact CB-CB 4.43Å; R74-G82 CarbonylContact C-O 3.56Å; R74-G82 WeakPolarHBondContact CA-O 3.17Å; R74-L83 HydrophobicContact CG-CD2 3.83Å
75L92.9Very high91.6Very high18 Ų1860.6 Ų60.69%0.09430%0.302CS..EExtended strand (participates in β ladder)trans-97.8136.1166.717962.5000109.2V77 K81 G82 P84 I87 Y88L75-V77 HydrophobicContact CD2-CG2 4.3Å; L75-V77 HydrophobicContact CG-CG2 4.24Å; L75-K81 WeakPolarHBondContact O-CA 3.38Å; L75-G82 PolarHBondContact N-O 2.93Å; L75-G82 PolarHBondContact O-N 3.42Å; L75-P84 HydrophobicContact CB-CG 4.16Å; L75-I87 HydrophobicContact CB-CD1 4.07Å; L75-I87 HydrophobicContact CD2-CD1 4.35Å; L75-I87 HydrophobicContact CG-CD1 4.45Å; L75-Y88 HydrophobicContact CD2-CE2 3.89Å; L75-Y88 WeakPolarHBondContact CD2-OH 3.2Å
76Q91.7Very high91.6Very high111 Ų11161.4 Ų61.452%0.51931%0.308SS..EExtended strand (participates in β ladder)trans-94.3128.8170.8-173.4168.3-2700110.3S78 R80 K81Q76-S78 PolarHBondContact NE2-O 3.21Å; Q76-R80 CarbonylContact C-O 3.58Å; Q76-R80 WeakPolarHBondContact CA-O 3.47Å; Q76-K81 HydrophobicContact CB-CG 3.99Å; Q76-K81 HydrophobicContact CG-CG 4.06Å
77V90.4Very high91.5Very high3 Ų361.7 Ų61.72%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-125.5109.3174.1-179.50000108.1K32 A33 L75 H79 R80 I87K32-V77 HydrophobicContact CB-CG1 3.91Å; A33-V77 HydrophobicContact CB-CG1 3.97Å; A33-V77 HydrophobicContact CB-CG2 4.24Å; L75-V77 HydrophobicContact CD2-CG2 4.3Å; L75-V77 HydrophobicContact CG-CG2 4.24Å; V77-H79 PolarHBondContact O-N 3.09Å; V77-H79 VanDerWaalsContact O-N 3.11Å; V77-R80 PolarHBondContact N-O 3.31Å; V77-R80 PolarHBondContact O-N 3.36Å; V77-I87 HydrophobicContact CG2-CD1 4.28Å
78S87.9Confident91.6Very high44 Ų4461.5 Ų61.531%0.30831%0.308SS..THydrogen-bonded Turntrans53.1-112.3-169.1-1470000110.8K32 Q76K32-S78 PolarHBondContact NZ-OG 3.21Å; Q76-S78 PolarHBondContact NE2-O 3.21Å
79H83.9Confident91.6Very high179 Ų17957.3 Ų57.383%0.82928%0.281SS*.THydrogen-bonded Turntrans-100.3-1.4-178.4-48.3-76.2000113.4V77V77-H79 PolarHBondContact O-N 3.09Å; V77-H79 VanDerWaalsContact O-N 3.11Å
80R85.4Confident91.7Very high118 Ų11856.9 Ų56.945%0.44528%0.279SS..EExtended strand (participates in β ladder)trans-102.7142.4-179.8-64.8-177.2179.5168.8-1.4110.7E26 Q76 V77E26-R80 IonicContact OE1-CZ 2.82Å; E26-R80 IonicContact OE1-NH1 4Å; E26-R80 PolarHBondContact OE1-NH1 3.46Å; E26-R80 IonicContact OE1-NH2 2.57Å; E26-R80 PolarHBondContact OE1-NH2 3.09Å; E26-R80 IonicContact OE2-CZ 2.72Å; E26-R80 IonicContact OE2-NH1 3.28Å; E26-R80 PolarHBondContact OE2-NH1 2.66Å; Q76-R80 CarbonylContact C-O 3.58Å; Q76-R80 WeakPolarHBondContact CA-O 3.47Å; V77-R80 PolarHBondContact N-O 3.31Å; V77-R80 PolarHBondContact O-N 3.36Å
81K89.5Confident91.9Very high122 Ų12254.8 Ų54.853%0.5326%0.264SS..EExtended strand (participates in β ladder)trans-112.4136.5166.8-70.9-171.6175.9-172.10109.4R74 L75 Q76R74-K81 HydrophobicContact CB-CB 4.43Å; L75-K81 WeakPolarHBondContact O-CA 3.38Å; Q76-K81 HydrophobicContact CB-CG 3.99Å; Q76-K81 HydrophobicContact CG-CG 4.06Å
82G91.5Very high92.3Very high22 Ų2245.7 Ų45.723%0.22722%0.216CC..EExtended strand (participates in β ladder)trans-155.2172.117800000111.7R74 L75R74-G82 CarbonylContact C-O 3.56Å; R74-G82 WeakPolarHBondContact CA-O 3.17Å; L75-G82 PolarHBondContact N-O 2.93Å; L75-G82 PolarHBondContact O-N 3.42Å
83L94.6Very high92.7Very high32 Ų3245.8 Ų45.817%0.16821%0.212CC..  trans-78.4138.2177.5-57.1-176.8000110.3R74 H85 V86 I87 H100 F113R74-L83 HydrophobicContact CG-CD2 3.83Å; L83-H85 PolarHBondContact O-N 2.98Å; L83-V86 HydrophobicContact CB-CB 4.4Å; L83-V86 HydrophobicContact CB-CG2 4.05Å; L83-V86 PolarHBondContact O-N 3.45Å; L83-I87 WeakPolarHBondContact O-CG1 3.13Å; L83-I87 PolarHBondContact O-N 3.34Å; L83-H100 HydrophobicContact CD1-CB 3.75Å; L83-F113 HydrophobicContact CD1-CD1 4.32Å; L83-F113 HydrophobicContact CD1-CE1 3.81Å; L83-F113 HydrophobicContact CD1-CZ 4.09Å; L83-F113 HydrophobicContact CD2-CE1 4.19Å; L83-F113 HydrophobicContact CD2-CE2 4.15Å; L83-F113 HydrophobicContact CD2-CZ 3.62Å; L83-F113 HydrophobicContact CG-CZ 4.36Å
84P95.6Very high93Very high6 Ų647.4 Ų47.44%0.03922%0.216CC..Hα-helixtrans-54.4-49.7-174.6-27.632.7000114.1I67 G73 L75 V86 I87 Y88 V120 I122I67-P84 HydrophobicContact CD1-CB 3.86Å; I67-P84 HydrophobicContact CD1-CG 4.1Å; I67-P84 HydrophobicContact CG1-CB 4.47Å; G73-P84 VanDerWaalsContact O-CD 3.3Å; G73-P84 WeakPolarHBondContact O-CD 3.27Å; L75-P84 HydrophobicContact CB-CG 4.16Å; P84-V86 PolarHBondContact O-N 3.04Å; P84-I87 PolarHBondContact O-N 3.35Å; P84-Y88 WeakPolarHBondContact O-CD2 3.35Å; P84-Y88 PolarHBondContact O-N 3.42Å; P84-V120 HydrophobicContact CB-CG1 4.39Å; P84-I122 HydrophobicContact CB-CG2 3.67Å
85H96Very high93Very high7 Ų744 Ų443%0.03221%0.209CC..Hα-helixtrans-61.3-41.7-178.963.6-75.6000112.1L83 Y88 C89 F113 Y127L83-H85 PolarHBondContact O-N 2.98Å; H85-Y88 PolarHBondContact O-N 2.92Å; H85-C89 VanDerWaalsContact O-CB 3.25Å; H85-C89 WeakPolarHBondContact O-CB 3.48Å; H85-C89 PolarHBondContact O-N 3.41Å; H85-C89 PolarHBondContact O-SG 3.06Å; H85-F113 VanDerWaalsContact CE1-CB 3.42Å; H85-F113 WeakPolarHBondContact CE1-CB 3.38Å; H85-F113 AromaticContact CE1-CD1 3.45Å; H85-F113 VanDerWaalsContact CE1-CD1 3.45Å; H85-F113 WeakPolarHBondContact CE1-CD1 3.48Å; H85-F113 AromaticContact CE1-CD2 3.87Å; H85-F113 AromaticContact CE1-CG 3.27Å; H85-F113 WeakPolarHBondContact CE1-CG 3.32Å; H85-F113 WeakPolarHBondContact ND1-CB 3.4Å; H85-F113 AromaticContact ND1-CD2 3.67Å; H85-F113 AromaticContact ND1-CG 3.41Å; H85-F113 WeakPolarHBondContact ND1-CG 3.22Å; H85-Y127 HydrophobicContact CB-CE1 4.13Å; H85-Y127 HydrophobicContact CB-CE2 3.76Å; H85-Y127 WeakPolarHBondContact CB-OH 3.31Å; H85-Y127 AromaticContact CD2-CE1 3.94Å
86V95.7Very high92.9Very high20 Ų2047.1 Ų47.112%0.12123%0.226CC..Hα-helixtrans-61.9-47.6173.9-178.80000111.2L83 P84 Y88 C89 R90 L97 H100 L103L83-V86 HydrophobicContact CB-CB 4.4Å; L83-V86 HydrophobicContact CB-CG2 4.05Å; L83-V86 PolarHBondContact O-N 3.45Å; P84-V86 PolarHBondContact O-N 3.04Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 3.44Å; V86-C89 PolarHBondContact O-N 2.95Å; V86-R90 WeakPolarHBondContact O-CB 3.01Å; V86-R90 PolarHBondContact O-N 3.39Å; V86-L97 HydrophobicContact CG1-CD2 3.86Å; V86-L97 HydrophobicContact CG1-CG 4.29Å; V86-H100 HydrophobicContact CG2-CB 3.53Å; V86-L103 HydrophobicContact CG2-CD1 4.28Å
87I95.7Very high92.9Very high10 Ų1042 Ų425%0.05120%0.202CC..Hα-helixtrans-55.1-47.9179.1-71.4165.8000110.7W29 A33 L75 V77 L83 P84 R90 V91W29-I87 HydrophobicContact CH2-CG2 3.95Å; W29-I87 HydrophobicContact CZ2-CG1 4.28Å; W29-I87 HydrophobicContact CZ2-CG2 4.06Å; A33-I87 HydrophobicContact CB-CG2 4.02Å; L75-I87 HydrophobicContact CB-CD1 4.07Å; L75-I87 HydrophobicContact CD2-CD1 4.35Å; L75-I87 HydrophobicContact CG-CD1 4.45Å; V77-I87 HydrophobicContact CG2-CD1 4.28Å; L83-I87 WeakPolarHBondContact O-CG1 3.13Å; L83-I87 PolarHBondContact O-N 3.34Å; P84-I87 PolarHBondContact O-N 3.35Å; I87-R90 PolarHBondContact O-N 2.81Å; I87-V91 WeakPolarHBondContact O-CG2 3.47Å; I87-V91 PolarHBondContact O-N 3.22Å; I87-V91 VanDerWaalsContact O-N 3.12Å
88Y96.7Very high92.7Very high0 Ų045.8 Ų45.80%022%0.22CC..Hα-helixtrans-82.9-30.8-174.2-65.7-58.7000113.7A33 L37 L75 P84 H85 V86 R90 V91 W92 I122A33-Y88 HydrophobicContact CB-CE1 4.31Å; A33-Y88 WeakPolarHBondContact O-CE1 3.48Å; A33-Y88 PolarHBondContact O-OH 3.02Å; L37-Y88 HydrophobicContact CB-CE1 3.84Å; L37-Y88 HydrophobicContact CD1-CE2 4Å; L37-Y88 HydrophobicContact CD2-CD1 4.05Å; L37-Y88 HydrophobicContact CD2-CE1 3.9Å; L37-Y88 HydrophobicContact CD2-CG 4.49Å; L37-Y88 HydrophobicContact CG-CE1 4.3Å; L75-Y88 HydrophobicContact CD2-CE2 3.89Å; L75-Y88 WeakPolarHBondContact CD2-OH 3.2Å; P84-Y88 WeakPolarHBondContact O-CD2 3.35Å; P84-Y88 PolarHBondContact O-N 3.42Å; H85-Y88 PolarHBondContact O-N 2.92Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 3.44Å; Y88-R90 VanDerWaalsContact C-N 3.31Å; Y88-V91 PolarHBondContact O-N 3.48Å; Y88-W92 HydrophobicContact CD1-CE3 4.36Å; Y88-W92 AromaticContact CD1-CH2 3.79Å; Y88-W92 HydrophobicContact CD1-CH2 3.79Å; Y88-W92 AromaticContact CD1-CZ3 3.59Å; Y88-W92 HydrophobicContact CD1-CZ3 3.59Å; Y88-W92 HydrophobicContact CE1-CH2 4.47Å; Y88-W92 HydrophobicContact CG-CH2 4.49Å; Y88-W92 AromaticContact CG-CZ3 3.9Å; Y88-W92 HydrophobicContact CG-CZ3 3.9Å; Y88-W92 PolarHBondContact O-N 2.94Å; Y88-I122 HydrophobicContact CD2-CB 3.74Å; Y88-I122 HydrophobicContact CD2-CG1 4.28Å; Y88-I122 HydrophobicContact CD2-CG2 3.77Å; Y88-I122 HydrophobicContact CE2-CG2 4.38Å; Y88-I122 HydrophobicContact CG-CB 4.29Å
89C96.7Very high92.8Very high0 Ų044.2 Ų44.20%021%0.209CC..Hα-helixtrans-64.2-36.6166.6-670000111.8H85 V86 R93 W94 L97 L103H85-C89 VanDerWaalsContact O-CB 3.25Å; H85-C89 WeakPolarHBondContact O-CB 3.48Å; H85-C89 PolarHBondContact O-N 3.41Å; H85-C89 PolarHBondContact O-SG 3.06Å; V86-C89 PolarHBondContact O-N 2.95Å; C89-R93 PolarHBondContact O-N 2.83Å; C89-W94 HydrophobicContact CB-CE3 3.99Å; C89-W94 HydrophobicContact CB-CZ3 4.1Å; C89-W94 PolarHBondContact O-N 3.38Å; C89-L97 HydrophobicContact CB-CD2 3.92Å; C89-L103 HydrophobicContact CB-CD1 3.94Å; C89-L103 HydrophobicContact CB-CD2 4.5Å
90R95.2Very high93.1Very high63 Ų6339 Ų3924%0.23819%0.185CC..Hα-helixtrans-67.3-40176.7-169.8176.2-179.1-127.5-15.6112.5E26 V86 I87 Y88 W94 P95 L97E26-R90 IonicContact OE2-CZ 2.64Å; E26-R90 IonicContact OE2-NH1 3.82Å; E26-R90 PolarHBondContact OE2-NH1 2.77Å; E26-R90 IonicContact OE2-NH2 3.51Å; E26-R90 PolarHBondContact OE2-NH2 2.9Å; V86-R90 WeakPolarHBondContact O-CB 3.01Å; V86-R90 PolarHBondContact O-N 3.39Å; I87-R90 PolarHBondContact O-N 2.81Å; Y88-R90 VanDerWaalsContact C-N 3.31Å; R90-W94 WeakPolarHBondContact CA-O 3.05Å; R90-W94 WeakPolarHBondContact CG-O 3.37Å; R90-P95 PolarHBondContact NE-O 2.9Å; R90-P95 PolarHBondContact NH2-O 3.43Å; R90-P95 WeakPolarHBondContact O-CA 3.38Å; R90-L97 HydrophobicContact CB-CB 4.29Å; R90-L97 HydrophobicContact CB-CD2 4.32Å; R90-L97 WeakPolarHBondContact CD-O 3.4Å; R90-L97 HydrophobicContact CG-CB 4.31Å
91V95.8Very high93.4Very high4 Ų434.9 Ų34.92%0.02417%0.17CC..Hα-helixtrans-67.6-38177.9170.70000112.5K21 Q22 W29 A30 A33 V34 I87 Y88K21-V91 WeakPolarHBondContact CA-O 3.18Å; K21-V91 HydrophobicContact CG-CG1 4.46Å; Q22-V91 PolarHBondContact N-O 3.07Å; W29-V91 HydrophobicContact CH2-CG2 4.29Å; W29-V91 HydrophobicContact CZ3-CG2 3.85Å; A30-V91 HydrophobicContact CB-CG2 4.21Å; A33-V91 HydrophobicContact CB-CG2 4.47Å; V34-V91 HydrophobicContact CG2-CG1 4.15Å; I87-V91 WeakPolarHBondContact O-CG2 3.47Å; I87-V91 PolarHBondContact O-N 3.22Å; I87-V91 VanDerWaalsContact O-N 3.12Å; Y88-V91 PolarHBondContact O-N 3.48Å
92W96.5Very high93.6Very high3 Ų329.7 Ų29.71%0.01115%0.148CC..Hα-helixtrans-114.3-5.8-168.6-67.8-53.4000117.1L17 Q22 V34 L37 L51 L55 Y88 P124L17-W92 HydrophobicContact CB-CZ2 4.23Å; L17-W92 HydrophobicContact CD2-CZ2 4.33Å; L17-W92 PolarHBondContact O-NE1 3.42Å; Q22-W92 VanDerWaalsContact CG-O 3.26Å; Q22-W92 WeakPolarHBondContact CG-O 3.4Å; V34-W92 HydrophobicContact CG2-CZ2 3.94Å; L37-W92 HydrophobicContact CD2-CH2 3.56Å; L37-W92 HydrophobicContact CD2-CZ3 4.09Å; L51-W92 HydrophobicContact CD1-CH2 4.43Å; L51-W92 HydrophobicContact CD1-CZ3 4.12Å; L51-W92 HydrophobicContact CD2-CH2 3.81Å; L51-W92 HydrophobicContact CD2-CZ2 4.5Å; L51-W92 HydrophobicContact CD2-CZ3 4.26Å; L55-W92 HydrophobicContact CD1-CD2 4.05Å; L55-W92 HydrophobicContact CD1-CG 4.37Å; L55-W92 HydrophobicContact CD1-CZ2 4.12Å; L55-W92 HydrophobicContact CD2-CB 3.78Å; L55-W92 HydrophobicContact CD2-CD2 3.83Å; L55-W92 HydrophobicContact CD2-CE3 4.25Å; L55-W92 HydrophobicContact CD2-CG 3.6Å; Y88-W92 HydrophobicContact CD1-CE3 4.36Å; Y88-W92 AromaticContact CD1-CH2 3.79Å; Y88-W92 HydrophobicContact CD1-CH2 3.79Å; Y88-W92 AromaticContact CD1-CZ3 3.59Å; Y88-W92 HydrophobicContact CD1-CZ3 3.59Å; Y88-W92 HydrophobicContact CE1-CH2 4.47Å; Y88-W92 HydrophobicContact CG-CH2 4.49Å; Y88-W92 AromaticContact CG-CZ3 3.9Å; Y88-W92 HydrophobicContact CG-CZ3 3.9Å; Y88-W92 PolarHBondContact O-N 2.94Å; W92-P124 HydrophobicContact CB-CB 4.42Å; W92-P124 HydrophobicContact CB-CG 4.05Å; W92-P124 HydrophobicContact CE3-CG 4.15Å
93R95.1Very high93.8Very high75 Ų7529.3 Ų29.328%0.28314%0.141SC..THydrogen-bonded Turntrans-139.6-44.1179.5-67.8-174.471.6-171.61.4115.1C89 P124 Y125 Y127C89-R93 PolarHBondContact O-N 2.83Å; R93-P124 WeakPolarHBondContact CD-O 3.48Å; R93-P124 HydrophobicContact CG-CB 4.05Å; R93-P124 PolarHBondContact NH1-O 3.13Å; R93-Y125 HydrophobicContact CG-CE1 4.29Å; R93-Y127 PolarHBondContact NH1-O 3.21Å
94W94.9Very high93.8Very high39 Ų3933.1 Ų33.115%0.14816%0.156CC..  trans-135.684-170-58.1-62.5000111.1C89 R90 D96 L97 L103 R129C89-W94 HydrophobicContact CB-CE3 3.99Å; C89-W94 HydrophobicContact CB-CZ3 4.1Å; C89-W94 PolarHBondContact O-N 3.38Å; R90-W94 WeakPolarHBondContact CA-O 3.05Å; R90-W94 WeakPolarHBondContact CG-O 3.37Å; W94-D96 PolarHBondContact O-N 2.89Å; W94-D96 VanDerWaalsContact O-N 3.13Å; W94-L97 HydrophobicContact CB-CB 3.92Å; W94-L97 WeakPolarHBondContact O-CB 3.3Å; W94-L97 PolarHBondContact O-N 3.06Å; W94-L103 HydrophobicContact CE3-CD2 3.75Å; W94-L103 HydrophobicContact CH2-CD2 4.27Å; W94-L103 HydrophobicContact CZ3-CD2 3.42Å; W94-L103 VanDerWaalsContact CZ3-CD2 3.42Å; W94-R129 HydrophobicContact CD2-CB 4.34Å; W94-R129 HydrophobicContact CH2-CB 4.15Å; W94-R129 HydrophobicContact CZ2-CB 3.73Å
95P92.4Very high93.8Very high47 Ų4735.7 Ų35.731%0.30517%0.173SC..THydrogen-bonded Turntrans-59.6-26.2-175.8-24.936.5000113.9Q22 R90Q22-P95 HydrophobicContact CB-CG 3.5Å; Q22-P95 VanDerWaalsContact CB-CG 3.5Å; Q22-P95 VanDerWaalsContact O-CG 3.23Å; Q22-P95 WeakPolarHBondContact O-CG 3.3Å; R90-P95 PolarHBondContact NE-O 2.9Å; R90-P95 PolarHBondContact NH2-O 3.43Å; R90-P95 WeakPolarHBondContact O-CA 3.38Å
96D89.3Confident93.8Very high84 Ų8438 Ų3845%0.44919%0.185SC..THydrogen-bonded Turntrans-85.3-4.4179.468.1-53.8000113.9W94 Q98 R129W94-D96 PolarHBondContact O-N 2.89Å; W94-D96 VanDerWaalsContact O-N 3.13Å; D96-Q98 WeakPolarHBondContact O-CG 3.24Å; D96-Q98 PolarHBondContact O-N 3.37Å; D96-R129 VanDerWaalsContact CG-NH1 3.3Å; D96-R129 IonicContact OD1-CZ 2.97Å; D96-R129 IonicContact OD1-NH1 3.7Å; D96-R129 PolarHBondContact OD1-NH1 3.03Å; D96-R129 VanDerWaalsContact OD1-NH1 3.11Å; D96-R129 IonicContact OD1-NH2 2.98Å; D96-R129 IonicContact OD2-CZ 2.81Å; D96-R129 IonicContact OD2-NH1 2.68Å; D96-R129 PolarHBondContact OD2-NH1 3.04Å; D96-R129 IonicContact OD2-NH2 2.67Å; D96-R129 PolarHBondContact OD2-NH2 3.23Å
97L91.4Very high93.7Very high4 Ų446.7 Ų46.72%0.02122%0.224CC..  trans-59.9123.8178.2-17674.3000111.3V86 C89 R90 W94 E102 L103V86-L97 HydrophobicContact CG1-CD2 3.86Å; V86-L97 HydrophobicContact CG1-CG 4.29Å; C89-L97 HydrophobicContact CB-CD2 3.92Å; R90-L97 HydrophobicContact CB-CB 4.29Å; R90-L97 HydrophobicContact CB-CD2 4.32Å; R90-L97 WeakPolarHBondContact CD-O 3.4Å; R90-L97 HydrophobicContact CG-CB 4.31Å; W94-L97 HydrophobicContact CB-CB 3.92Å; W94-L97 WeakPolarHBondContact O-CB 3.3Å; W94-L97 PolarHBondContact O-N 3.06Å; L97-E102 HydrophobicContact CD1-CB 3.58Å; L97-E102 HydrophobicContact CD1-CG 4.34Å; L97-L103 HydrophobicContact CD1-CD2 3.95Å; L97-L103 HydrophobicContact CD1-CG 4.12Å; L97-L103 HydrophobicContact CD2-CD1 3.94Å; L97-L103 HydrophobicContact CD2-CD2 4.16Å; L97-L103 HydrophobicContact CD2-CG 4.16Å
98Q87.6Confident93.6Very high82 Ų8250.1 Ų50.138%0.38325%0.248SC..  trans-110.6-36.3-169.9-43.9-16913.800111.7D96 E102 S291 T292D96-Q98 WeakPolarHBondContact O-CG 3.24Å; D96-Q98 PolarHBondContact O-N 3.37Å; Q98-E102 WeakPolarHBondContact CA-OE1 3.29Å; Q98-E102 PolarHBondContact N-OE1 2.85Å; Q98-S291 VanDerWaalsContact OE1-CA 3.26Å; Q98-S291 VanDerWaalsContact OE1-CB 3.23Å; Q98-S291 PolarHBondContact OE1-OG 3.06Å; Q98-T292 VanDerWaalsContact OE1-N 3.17Å; Q98-T292 PolarHBondContact OE1-OG1 3.03Å
99S89Confident93.6Very high12 Ų1250.6 Ų50.68%0.08425%0.252CS..  trans-135.2165.5-175.2-165.40000113.6H101 E102S99-H101 PolarHBondContact OG-CD2 3.35Å; S99-E102 PolarHBondContact N-OE1 3.21Å
100H91.1Very high93.6Very high68 Ų6857 Ų5732%0.31528%0.282SS..SBendtrans-79.7-23.8178.582-73.4000113.5L83 V86 E102 L103L83-H100 HydrophobicContact CD1-CB 3.75Å; V86-H100 HydrophobicContact CG2-CB 3.53Å; H100-E102 PolarHBondContact O-N 2.84Å; H100-L103 PolarHBondContact O-N 2.68Å
101H91.2Very high93.7Very high32 Ų3256.5 Ų56.515%0.14828%0.281CS..THydrogen-bonded Turntrans-65.8-23.2175.9-45-77000112.3S99 L103 V130 H335 Y337 V339 E346S99-H101 PolarHBondContact OG-CD2 3.35Å; H101-L103 PolarHBondContact O-N 3.04Å; H101-V130 WeakPolarHBondContact O-CG2 3.49Å; H101-H335 AromaticContact CD2-CE1 3.95Å; H101-H335 AromaticContact NE2-CE1 3.46Å; H101-H335 PolarHBondContact NE2-CE1 2.99Å; H101-H335 AromaticContact NE2-ND1 3.88Å; H101-Y337 HydrophobicContact CB-CD2 3.76Å; H101-Y337 HydrophobicContact CB-CE2 3.61Å; H101-Y337 AromaticContact CD2-CD1 3.49Å; H101-Y337 VanDerWaalsContact CD2-CD1 3.49Å; H101-Y337 WeakPolarHBondContact CD2-CD1 3.41Å; H101-Y337 AromaticContact CD2-CD2 3.58Å; H101-Y337 AromaticContact CD2-CE1 3.59Å; H101-Y337 AromaticContact CD2-CE2 3.68Å; H101-Y337 AromaticContact CD2-CG 3.49Å; H101-Y337 VanDerWaalsContact CD2-CG 3.49Å; H101-Y337 AromaticContact CD2-CZ 3.7Å; H101-Y337 AromaticContact CE1-CE1 3.4Å; H101-Y337 WeakPolarHBondContact CE1-CE1 3.45Å; H101-Y337 AromaticContact CE1-CZ 3.45Å; H101-Y337 VanDerWaalsContact CE1-CZ 3.45Å; H101-Y337 AromaticContact CG-CD2 3.65Å; H101-Y337 AromaticContact CG-CE1 3.94Å; H101-Y337 AromaticContact CG-CE2 3.38Å; H101-Y337 AromaticContact CG-CZ 3.55Å; H101-Y337 AromaticContact ND1-CE1 3.83Å; H101-Y337 AromaticContact ND1-CE2 3.69Å; H101-Y337 AromaticContact ND1-CZ 3.39Å; H101-Y337 AromaticContact NE2-CD1 3.47Å; H101-Y337 WeakPolarHBondContact NE2-CD1 3.3Å; H101-Y337 AromaticContact NE2-CE1 3.31Å; H101-Y337 VanDerWaalsContact NE2-CE1 3.31Å; H101-Y337 WeakPolarHBondContact NE2-CE1 3.42Å; H101-Y337 AromaticContact NE2-CG 4Å; H101-Y337 AromaticContact NE2-CZ 3.72Å; H101-V339 HydrophobicContact CB-CG1 4.35Å; H101-E346 IonicContact CE1-OE2 2.75Å
102E93.9Very high93.7Very high13 Ų1357.5 Ų57.56%0.06129%0.288CS..THydrogen-bonded Turntrans-68.2-9171.4-63.4179.1-104.400113.3L97 Q98 S99 H100 R129 V130 V339L97-E102 HydrophobicContact CD1-CB 3.58Å; L97-E102 HydrophobicContact CD1-CG 4.34Å; Q98-E102 WeakPolarHBondContact CA-OE1 3.29Å; Q98-E102 PolarHBondContact N-OE1 2.85Å; S99-E102 PolarHBondContact N-OE1 3.21Å; H100-E102 PolarHBondContact O-N 2.84Å; E102-R129 CarbonylContact O-C 3.48Å; E102-R129 WeakPolarHBondContact O-CA 3.4Å; E102-R129 WeakPolarHBondContact O-CG 3.47Å; E102-R129 IonicContact OE2-CZ 3.22Å; E102-R129 IonicContact OE2-NE 3.39Å; E102-R129 PolarHBondContact OE2-NE 3.16Å; E102-R129 IonicContact OE2-NH2 2.87Å; E102-R129 PolarHBondContact OE2-NH2 2.98Å; E102-V130 PolarHBondContact O-N 3.49Å; E102-V339 HydrophobicContact CG-CG2 4.25Å
103L95.4Very high93.5Very high15 Ų1558.8 Ų58.88%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-113.4128.8179-61.8-176.7000111.6V86 C89 W94 L97 H100 H101 Y127V86-L103 HydrophobicContact CG2-CD1 4.28Å; C89-L103 HydrophobicContact CB-CD1 3.94Å; C89-L103 HydrophobicContact CB-CD2 4.5Å; W94-L103 HydrophobicContact CE3-CD2 3.75Å; W94-L103 HydrophobicContact CH2-CD2 4.27Å; W94-L103 HydrophobicContact CZ3-CD2 3.42Å; W94-L103 VanDerWaalsContact CZ3-CD2 3.42Å; L97-L103 HydrophobicContact CD1-CD2 3.95Å; L97-L103 HydrophobicContact CD1-CG 4.12Å; L97-L103 HydrophobicContact CD2-CD1 3.94Å; L97-L103 HydrophobicContact CD2-CD2 4.16Å; L97-L103 HydrophobicContact CD2-CG 4.16Å; H100-L103 PolarHBondContact O-N 2.68Å; H101-L103 PolarHBondContact O-N 3.04Å; L103-Y127 HydrophobicContact CB-CD1 4.37Å
104K94.7Very high93.2Very high111 Ų11158.3 Ų58.348%0.48331%0.312SS..EExtended strand (participates in β ladder)trans-110.8132.7164.3-72.8174-177170.50108.8Y127 K128 V130K104-Y127 CarbonylContact O-C 3.59Å; K104-Y127 WeakPolarHBondContact O-CA 3.47Å; K104-K128 HydrophobicContact CB-CG 4.23Å; K104-K128 PolarHBondContact N-O 3.36Å; K104-K128 PolarHBondContact O-N 2.78Å; K104-V130 HydrophobicContact CD-CG2 3.77Å; K104-V130 HydrophobicContact CG-CG2 3.76Å
105P96.1Very high93Very high61 Ų6158.6 Ų58.640%0.39632%0.32SS..EExtended strand (participates in β ladder)trans-63.9156.2172.829.6-34.8000110.5C109 P112 Y127P105-C109 HydrophobicContact CB-CB 4.47Å; P105-P112 HydrophobicContact CB-CB 3.62Å; P105-P112 HydrophobicContact CG-CB 4Å; P105-Y127 HydrophobicContact CB-CD1 4.22Å; P105-Y127 HydrophobicContact CB-CE1 4.21Å
106L95.5Very high92.8Very high56 Ų5664.7 Ų64.729%0.29334%0.342SS..  trans-85.2156.1165.9-60.3-174.2000110.6C108 C109 Y125 H126 K128L106-C108 PolarHBondContact O-N 2.57Å; L106-C109 WeakPolarHBondContact O-CB 3.44Å; L106-C109 PolarHBondContact O-N 2.79Å; L106-Y125 WeakPolarHBondContact CD1-O 3.35Å; L106-H126 PolarHBondContact N-O 3.47Å; L106-K128 HydrophobicContact CD2-CB 3.98Å; L106-K128 HydrophobicContact CD2-CD 3.77Å; L106-K128 HydrophobicContact CD2-CG 3.81Å
107E93.9Very high92.9Very high201 Ų20164.2 Ų64.294%0.93934%0.337SS*.THydrogen-bonded Turntrans-63-25.4179.5-70.2157.9-150.200112.9C109E107-C109 PolarHBondContact O-N 2.64Å
108C94.3Very high93.1Very high82 Ų8273.4 Ų73.455%0.55438%0.377SS*.THydrogen-bonded Turntrans-76.51.4172.760.70000114.6L106L106-C108 PolarHBondContact O-N 2.57Å
109C96.1Very high93.4Very high10 Ų1071.8 Ų71.87%0.06837%0.369CS..  trans-90.8106.8177.2-169.10000110.3P105 L106 E107 P112 H126P105-C109 HydrophobicContact CB-CB 4.47Å; L106-C109 WeakPolarHBondContact O-CB 3.44Å; L106-C109 PolarHBondContact O-N 2.79Å; E107-C109 PolarHBondContact O-N 2.64Å; C109-P112 HydrophobicContact CB-CB 4.41Å; C109-P112 WeakPolarHBondContact O-CD 3.38Å; C109-H126 HydrophobicContact CB-CB 4.05Å
110E96.6Very high93.8Very high136 Ų13671.3 Ų71.364%0.63637%0.366SS*.SBendtrans-73.7-28.1177.7-60.4176.1160.300113C64 P112 Q117C64-E110 PolarHBondContact SG-N 3.27Å; E110-P112 VanDerWaalsContact O-CD 3.3Å; E110-P112 WeakPolarHBondContact O-CD 3.39Å; E110-Q117 PolarHBondContact O-NE2 3.01Å
111F96.8Very high94.1Very high51 Ų5168 Ų6822%0.22435%0.351CS..SBendtrans-117.446.9-175.4-58.6-94.1000113.5C64 T66 E119 C121C64-F111 HydrophobicContact CB-CD2 3.65Å; C64-F111 HydrophobicContact CB-CE2 4.34Å; T66-F111 HydrophobicContact CG2-CB 3.83Å; T66-F111 HydrophobicContact CG2-CD1 4.27Å; T66-F111 HydrophobicContact CG2-CD2 3.79Å; T66-F111 HydrophobicContact CG2-CE2 4.47Å; T66-F111 HydrophobicContact CG2-CG 3.7Å; F111-E119 HydrophobicContact CD1-CB 3.87Å; F111-E119 HydrophobicContact CE1-CB 4.29Å; F111-C121 HydrophobicContact CB-CB 4.08Å; F111-C121 WeakPolarHBondContact O-CB 3.21Å; F111-C121 PolarHBondContact O-N 2.94Å
112P96.1Very high94.3Very high26 Ų2666.5 Ų66.517%0.16934%0.343CS..  trans-71.7146.1-175.332.6-33.4000109.6P105 C109 E110 G114 S115P105-P112 HydrophobicContact CB-CB 3.62Å; P105-P112 HydrophobicContact CG-CB 4Å; C109-P112 HydrophobicContact CB-CB 4.41Å; C109-P112 WeakPolarHBondContact O-CD 3.38Å; E110-P112 VanDerWaalsContact O-CD 3.3Å; E110-P112 WeakPolarHBondContact O-CD 3.39Å; P112-G114 PolarHBondContact O-N 3.29Å; P112-S115 VanDerWaalsContact O-CB 3.28Å; P112-S115 WeakPolarHBondContact O-CB 3.21Å; P112-S115 PolarHBondContact O-N 2.92Å; P112-S115 PolarHBondContact O-OG 2.96Å
113F92.1Very high94.5Very high29 Ų2965.9 Ų65.913%0.12734%0.341CS..G310 helixtrans-55.1-33.3-172.1-179.9-96.9000114.8R69 L83 H85 S115 V120R69-F113 PolarHBondContact NH1-O 3.43Å; L83-F113 HydrophobicContact CD1-CD1 4.32Å; L83-F113 HydrophobicContact CD1-CE1 3.81Å; L83-F113 HydrophobicContact CD1-CZ 4.09Å; L83-F113 HydrophobicContact CD2-CE1 4.19Å; L83-F113 HydrophobicContact CD2-CE2 4.15Å; L83-F113 HydrophobicContact CD2-CZ 3.62Å; L83-F113 HydrophobicContact CG-CZ 4.36Å; H85-F113 VanDerWaalsContact CE1-CB 3.42Å; H85-F113 WeakPolarHBondContact CE1-CB 3.38Å; H85-F113 AromaticContact CE1-CD1 3.45Å; H85-F113 VanDerWaalsContact CE1-CD1 3.45Å; H85-F113 WeakPolarHBondContact CE1-CD1 3.48Å; H85-F113 AromaticContact CE1-CD2 3.87Å; H85-F113 AromaticContact CE1-CG 3.27Å; H85-F113 WeakPolarHBondContact CE1-CG 3.32Å; H85-F113 WeakPolarHBondContact ND1-CB 3.4Å; H85-F113 AromaticContact ND1-CD2 3.67Å; H85-F113 AromaticContact ND1-CG 3.41Å; H85-F113 WeakPolarHBondContact ND1-CG 3.22Å; F113-S115 VanDerWaalsContact C-N 3.26Å; F113-S115 PolarHBondContact O-N 2.91Å; F113-V120 HydrophobicContact CB-CG1 4.27Å; F113-V120 HydrophobicContact CD2-CG1 3.89Å; F113-V120 HydrophobicContact CD2-CG2 3.91Å; F113-V120 HydrophobicContact CE2-CG2 4.49Å
114G89.2Confident94.5Very high65 Ų6565.2 Ų65.267%0.6734%0.337SS*.G310 helixtrans-65.3-21.8177.700000115P112 K116P112-G114 PolarHBondContact O-N 3.29Å; G114-K116 PolarHBondContact O-N 3.05Å; G114-K116 VanDerWaalsContact O-N 3.09Å
115S91.1Very high94.6Very high46 Ų4661.9 Ų61.932%0.32232%0.322SS..G310 helixtrans-66.2-10.6-177.266.30000115.3P112 F113 Q117P112-S115 VanDerWaalsContact O-CB 3.28Å; P112-S115 WeakPolarHBondContact O-CB 3.21Å; P112-S115 PolarHBondContact O-N 2.92Å; P112-S115 PolarHBondContact O-OG 2.96Å; F113-S115 VanDerWaalsContact C-N 3.26Å; F113-S115 PolarHBondContact O-N 2.91Å; S115-Q117 PolarHBondContact O-N 3.47Å; S115-Q117 WeakPolarHBondContact OG-CG 3.25Å
116K86.9Confident94.6Very high175 Ų17559.2 Ų59.276%0.76130%0.304SS*.  trans56.514.6-176.1-61.4175.7-175.7174.30115.1G114G114-K116 PolarHBondContact O-N 3.05Å; G114-K116 VanDerWaalsContact O-N 3.09Å
117Q92.7Very high94.7Very high74 Ų7456.8 Ų56.835%0.34629%0.291SS..  trans-63.5166.1176.4-6717830.400113.7R69 E110 S115 E119R69-Q117 WeakPolarHBondContact CD-O 3.45Å; E110-Q117 PolarHBondContact O-NE2 3.01Å; S115-Q117 PolarHBondContact O-N 3.47Å; S115-Q117 WeakPolarHBondContact OG-CG 3.25Å; Q117-E119 VanDerWaalsContact C-N 3.3Å; Q117-E119 PolarHBondContact O-N 3.29Å
118K94.3Very high94.7Very high196 Ų19652.3 Ų52.385%0.85227%0.268SS*.SBendtrans-66.6-27.6178.8-66.3179.8-179.3174.80113.7R69R69-K118 WeakPolarHBondContact CB-O 3.26Å; R69-K118 PolarHBondContact N-O 3.2Å
119E95.1Very high94.7Very high49 Ų4951.1 Ų51.123%0.22925%0.252CS..EExtended strand (participates in β ladder)trans-110.2157.8173.2-69.1-149.475.600110.7K44 T66 I67 F111 Q117K44-E119 IonicContact NZ-OE1 3.32Å; K44-E119 PolarHBondContact NZ-OE1 3.12Å; K44-E119 IonicContact NZ-OE2 2.73Å; K44-E119 PolarHBondContact NZ-OE2 3Å; T66-E119 VanDerWaalsContact CB-OE1 3.27Å; T66-E119 WeakPolarHBondContact CB-OE1 3.05Å; T66-E119 HydrophobicContact CG2-CB 4.38Å; T66-E119 VanDerWaalsContact OG1-CD 3.22Å; T66-E119 PolarHBondContact OG1-OE1 2.78Å; I67-E119 CarbonylContact O-C 3.38Å; I67-E119 WeakPolarHBondContact O-CA 3.35Å; F111-E119 HydrophobicContact CD1-CB 3.87Å; F111-E119 HydrophobicContact CE1-CB 4.29Å; Q117-E119 VanDerWaalsContact C-N 3.3Å; Q117-E119 PolarHBondContact O-N 3.29Å
120V96.3Very high94.5Very high1 Ų152 Ų521%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-133127.6178.6168.90000109T66 I67 R69 P84 F113T66-V120 CarbonylContact C-O 3.59Å; T66-V120 VanDerWaalsContact CA-O 3.27Å; T66-V120 WeakPolarHBondContact CA-O 3.32Å; I67-V120 PolarHBondContact N-O 2.86Å; I67-V120 PolarHBondContact O-N 2.83Å; R69-V120 HydrophobicContact CB-CG2 4.09Å; R69-V120 HydrophobicContact CG-CG2 4.03Å; P84-V120 HydrophobicContact CB-CG1 4.39Å; F113-V120 HydrophobicContact CB-CG1 4.27Å; F113-V120 HydrophobicContact CD2-CG1 3.89Å; F113-V120 HydrophobicContact CD2-CG2 3.91Å; F113-V120 HydrophobicContact CE2-CG2 4.49Å
121C97.2Very high93.9Very high0 Ų053.3 Ų53.30%026%0.263CS..EExtended strand (participates in β ladder)trans-69.3130.9173.1-171.10000111.4C64 V65 F111 H126 Y127C64-C121 HydrophobicContact CB-CB 4.35Å; V65-C121 CarbonylContact O-C 3.56Å; V65-C121 WeakPolarHBondContact O-CA 3.21Å; F111-C121 HydrophobicContact CB-CB 4.08Å; F111-C121 WeakPolarHBondContact O-CB 3.21Å; F111-C121 PolarHBondContact O-N 2.94Å; C121-H126 PolarHBondContact SG-ND1 3.12Å; C121-H126 VanDerWaalsContact SG-ND1 3.36Å; C121-Y127 PolarHBondContact O-OH 2.87Å
122I96.9Very high93.1Very high0 Ų053.4 Ų53.40%027%0.27CS..  trans-118.13.3175.462.370.8000113.1L37 L51 V65 I67 P84 Y88 P124L37-I122 HydrophobicContact CD1-CD1 4.13Å; L37-I122 HydrophobicContact CD1-CG1 4.06Å; L37-I122 HydrophobicContact CD2-CD1 3.89Å; L51-I122 HydrophobicContact CD1-CD1 4.26Å; V65-I122 HydrophobicContact CB-CD1 4.01Å; V65-I122 HydrophobicContact CG1-CD1 3.49Å; V65-I122 VanDerWaalsContact CG1-CD1 3.49Å; V65-I122 HydrophobicContact CG1-CG1 4.28Å; V65-I122 PolarHBondContact O-N 2.84Å; I67-I122 HydrophobicContact CD1-CG2 4.3Å; I67-I122 HydrophobicContact CG1-CG2 4.13Å; I67-I122 HydrophobicContact CG2-CG1 4.32Å; P84-I122 HydrophobicContact CB-CG2 3.67Å; Y88-I122 HydrophobicContact CD2-CB 3.74Å; Y88-I122 HydrophobicContact CD2-CG1 4.28Å; Y88-I122 HydrophobicContact CD2-CG2 3.77Å; Y88-I122 HydrophobicContact CE2-CG2 4.38Å; Y88-I122 HydrophobicContact CG-CB 4.29Å; I122-P124 WeakPolarHBondContact O-CD 3.43Å
123N96.8Very high92.2Very high0 Ų054.1 Ų54.10%028%0.275CS..  trans-59.8116.3170.7179-16.6000108.4S62 N63 V65 Y125 H126 Y127S62-N123 PolarHBondContact OG-ND2 2.97Å; N63-N123 PolarHBondContact O-ND2 3.28Å; N63-N123 VanDerWaalsContact O-ND2 3.09Å; V65-N123 HydrophobicContact CB-CB 4.16Å; V65-N123 HydrophobicContact CG2-CB 4.23Å; N123-Y125 PolarHBondContact O-N 3.46Å; N123-Y125 PolarHBondContact OD1-N 3.03Å; N123-H126 HydrophobicContact CB-CB 4.27Å; N123-H126 PolarHBondContact ND2-CD2 2.88Å; N123-H126 VanDerWaalsContact ND2-CD2 3.34Å; N123-H126 PolarHBondContact ND2-NE2 2.9Å; N123-H126 WeakPolarHBondContact O-CB 3.47Å; N123-H126 PolarHBondContact O-N 3.16Å; N123-H126 VanDerWaalsContact O-N 3.12Å; N123-Y127 WeakPolarHBondContact O-CD2 3.37Å
124P96.3Very high91.8Very high0 Ų059.7 Ų59.70%031%0.311CS..G310 helixtrans-72.3-13.9-172.732.2-37.6000112.9L55 W92 R93 I122L55-P124 HydrophobicContact CD2-CG 3.89Å; W92-P124 HydrophobicContact CB-CB 4.42Å; W92-P124 HydrophobicContact CB-CG 4.05Å; W92-P124 HydrophobicContact CE3-CG 4.15Å; R93-P124 WeakPolarHBondContact CD-O 3.48Å; R93-P124 HydrophobicContact CG-CB 4.05Å; R93-P124 PolarHBondContact NH1-O 3.13Å; I122-P124 WeakPolarHBondContact O-CD 3.43Å
125Y96.5Very high91.7Very high42 Ų4257.6 Ų57.617%0.16528%0.284CS..G310 helixtrans-87.5-5.9173.8-60.4-74.9000113.6A54 L55 P58 R93 L106 N123 Y127A54-Y125 VanDerWaalsContact O-CD2 3.27Å; A54-Y125 WeakPolarHBondContact O-CD2 3.29Å; A54-Y125 WeakPolarHBondContact O-CE2 3.33Å; L55-Y125 HydrophobicContact CD2-CE2 4.25Å; P58-Y125 HydrophobicContact CB-CE1 3.76Å; R93-Y125 HydrophobicContact CG-CE1 4.29Å; L106-Y125 WeakPolarHBondContact CD1-O 3.35Å; N123-Y125 PolarHBondContact O-N 3.46Å; N123-Y125 PolarHBondContact OD1-N 3.03Å; Y125-Y127 PolarHBondContact O-N 2.9Å
126H96.9Very high91.5Very high4 Ų459.8 Ų59.82%0.01930%0.297CS..G310 helixtrans-83.65.5171.3-77.7-154.5000113.6S62 N63 C64 L106 C109 C121 N123S62-H126 PolarHBondContact O-CE1 2.7Å; S62-H126 PolarHBondContact O-NE2 3.49Å; N63-H126 VanDerWaalsContact C-CE1 3.42Å; N63-H126 PolarHBondContact O-CE1 3.48Å; C64-H126 PolarHBondContact N-CE1 3.08Å; C64-H126 PolarHBondContact SG-CE1 2.88Å; C64-H126 PolarHBondContact SG-ND1 3.41Å; L106-H126 PolarHBondContact N-O 3.47Å; C109-H126 HydrophobicContact CB-CB 4.05Å; C121-H126 PolarHBondContact SG-ND1 3.12Å; C121-H126 VanDerWaalsContact SG-ND1 3.36Å; N123-H126 HydrophobicContact CB-CB 4.27Å; N123-H126 PolarHBondContact ND2-CD2 2.88Å; N123-H126 VanDerWaalsContact ND2-CD2 3.34Å; N123-H126 PolarHBondContact ND2-NE2 2.9Å; N123-H126 WeakPolarHBondContact O-CB 3.47Å; N123-H126 PolarHBondContact O-N 3.16Å; N123-H126 VanDerWaalsContact O-N 3.12Å
127Y96.5Very high91.4Very high5 Ų554.6 Ų54.62%0.0228%0.282CS..EExtended strand (participates in β ladder)trans-129146.9175.9-59.4-91.3000109.7H85 R93 L103 K104 P105 C121 N123 Y125H85-Y127 HydrophobicContact CB-CE1 4.13Å; H85-Y127 HydrophobicContact CB-CE2 3.76Å; H85-Y127 WeakPolarHBondContact CB-OH 3.31Å; H85-Y127 AromaticContact CD2-CE1 3.94Å; R93-Y127 PolarHBondContact NH1-O 3.21Å; L103-Y127 HydrophobicContact CB-CD1 4.37Å; K104-Y127 CarbonylContact O-C 3.59Å; K104-Y127 WeakPolarHBondContact O-CA 3.47Å; P105-Y127 HydrophobicContact CB-CD1 4.22Å; P105-Y127 HydrophobicContact CB-CE1 4.21Å; C121-Y127 PolarHBondContact O-OH 2.87Å; N123-Y127 WeakPolarHBondContact O-CD2 3.37Å; Y125-Y127 PolarHBondContact O-N 2.9Å
128K94.9Very high91.2Very high108 Ų10851.2 Ų51.247%0.4727%0.266SS..EExtended strand (participates in β ladder)trans-111147.1164.357.3-176.3172.7-172.50109.4K104 L106K104-K128 HydrophobicContact CB-CG 4.23Å; K104-K128 PolarHBondContact N-O 3.36Å; K104-K128 PolarHBondContact O-N 2.78Å; L106-K128 HydrophobicContact CD2-CB 3.98Å; L106-K128 HydrophobicContact CD2-CD 3.77Å; L106-K128 HydrophobicContact CD2-CG 3.81Å
129R94.1Very high90.9Very high56 Ų5646.5 Ų46.521%0.21125%0.249CC..EExtended strand (participates in β ladder)trans-72152.4170.2-157.4173.2-171.9174.4-1109.1W94 D96 E102W94-R129 HydrophobicContact CD2-CB 4.34Å; W94-R129 HydrophobicContact CH2-CB 4.15Å; W94-R129 HydrophobicContact CZ2-CB 3.73Å; D96-R129 VanDerWaalsContact CG-NH1 3.3Å; D96-R129 IonicContact OD1-CZ 2.97Å; D96-R129 IonicContact OD1-NH1 3.7Å; D96-R129 PolarHBondContact OD1-NH1 3.03Å; D96-R129 VanDerWaalsContact OD1-NH1 3.11Å; D96-R129 IonicContact OD1-NH2 2.98Å; D96-R129 IonicContact OD2-CZ 2.81Å; D96-R129 IonicContact OD2-NH1 2.68Å; D96-R129 PolarHBondContact OD2-NH1 3.04Å; D96-R129 IonicContact OD2-NH2 2.67Å; D96-R129 PolarHBondContact OD2-NH2 3.23Å; E102-R129 CarbonylContact O-C 3.48Å; E102-R129 WeakPolarHBondContact O-CA 3.4Å; E102-R129 WeakPolarHBondContact O-CG 3.47Å; E102-R129 IonicContact OE2-CZ 3.22Å; E102-R129 IonicContact OE2-NE 3.39Å; E102-R129 PolarHBondContact OE2-NE 3.16Å; E102-R129 IonicContact OE2-NH2 2.87Å; E102-R129 PolarHBondContact OE2-NH2 2.98Å
130V92.2Very high90.4Very high28 Ų2844.3 Ų44.317%0.1724%0.239CC..  trans-83.9110.9167.7-174.70000107.9H101 E102 K104 V339H101-V130 WeakPolarHBondContact O-CG2 3.49Å; E102-V130 PolarHBondContact O-N 3.49Å; K104-V130 HydrophobicContact CD-CG2 3.77Å; K104-V130 HydrophobicContact CG-CG2 3.76Å; V130-V339 HydrophobicContact CB-CG2 3.69Å; V130-V339 HydrophobicContact CG1-CG2 3.86Å; V130-V339 HydrophobicContact CG2-CG2 4.22Å
131E83.1Confident89.6Confident164 Ų16446.6 Ų46.677%0.76625%0.254SS*.PPolyproline II helixtrans-84.1149.5177.5-69.1166.3-176.300110.6G340E131-G340 WeakPolarHBondContact O-CA 3.21Å
132S79.2Confident88.1Confident54 Ų5452.7 Ų52.738%0.37828%0.277SS..PPolyproline II helixtrans-78.6125.9174.4-151.40000108.9E267 G341S132-E267 PolarHBondContact OG-OE1 3.35Å; S132-G341 PolarHBondContact OG-N 3.44Å
133P78.9Confident86.2Confident41 Ų4159.5 Ų59.527%0.26631%0.309SS..PPolyproline II helixtrans-68.9135.3-179.828.7-33.5000110.1L135 G340 Q386P133-L135 HydrophobicContact CG-CD2 4.49Å; P133-L135 PolarHBondContact O-N 2.84Å; P133-L135 VanDerWaalsContact O-N 3.14Å; P133-G340 WeakPolarHBondContact CD-O 3.36Å; P133-Q386 HydrophobicContact CG-CG 3.98Å
134V83.1Confident84Confident146 Ų14663.5 Ų63.589%0.88534%0.337SS*.PPolyproline II helixtrans-62.8117.8174.3-1770000108.8
135L87.1Confident81.6Confident21 Ų2172.7 Ų72.711%0.1138%0.38CS..PPolyproline II helixtrans-84135.3-179.8-55.1177.9000109.8P133 Y265 N385 Q386 W446P133-L135 HydrophobicContact CG-CD2 4.49Å; P133-L135 PolarHBondContact O-N 2.84Å; P133-L135 VanDerWaalsContact O-N 3.14Å; L135-Y265 HydrophobicContact CD1-CD1 3.76Å; L135-Y265 HydrophobicContact CD1-CD2 4.22Å; L135-Y265 HydrophobicContact CD1-CE1 4.09Å; L135-Y265 HydrophobicContact CD1-CG 3.82Å; L135-N385 HydrophobicContact CD1-CB 3.81Å; L135-N385 HydrophobicContact CD2-CB 4.5Å; L135-Q386 HydrophobicContact CD2-CB 4.48Å; L135-Q386 HydrophobicContact CD2-CG 3.77Å; L135-W446 HydrophobicContact CB-CH2 3.8Å; L135-W446 HydrophobicContact CB-CZ3 4.19Å; L135-W446 HydrophobicContact CD1-CH2 4.22Å; L135-W446 HydrophobicContact CD1-CZ3 3.72Å
136P85.9Confident79.3Confident91 Ų9175.6 Ų75.659%0.59139%0.391SS*.PPolyproline II helixtrans-67.2144.5177.629.2-34.7000110.4W446P136-W446 WeakPolarHBondContact O-CH2 3.17Å; P136-W446 VanDerWaalsContact O-CZ2 3.31Å; P136-W446 WeakPolarHBondContact O-CZ2 3.38Å
137P85.8Confident76.7Confident67 Ų6779.8 Ų79.844%0.43541%0.414SS..PPolyproline II helixtrans-67.5141.8177.129.3-34.9000111.1A262 V263P137-A262 HydrophobicContact CB-CB 4.19Å; P137-A262 HydrophobicContact CG-CB 4.48Å; P137-V263 VanDerWaalsContact CA-O 3.32Å; P137-V263 WeakPolarHBondContact CA-O 3.43Å
138V88.4Confident74.5Confident2 Ų284 Ų841%0.01244%0.442CS..EExtended strand (participates in β ladder)trans-76.3131.5173.41710000108.7V140 V263 L392 A393 V396 W446 V450V138-V140 HydrophobicContact CG1-CG2 4.37Å; V138-V263 HydrophobicContact CB-CB 4.49Å; V138-V263 PolarHBondContact N-O 2.89Å; V138-V263 PolarHBondContact O-N 2.96Å; V138-L392 HydrophobicContact CG1-CG 4.44Å; V138-L392 HydrophobicContact CG2-CB 4.37Å; V138-L392 HydrophobicContact CG2-CD2 3.99Å; V138-L392 HydrophobicContact CG2-CG 3.88Å; V138-A393 HydrophobicContact CG2-CB 4.35Å; V138-V396 HydrophobicContact CG1-CG2 3.76Å; V138-W446 HydrophobicContact CG2-CH2 4.4Å; V138-W446 HydrophobicContact CG2-CZ2 3.67Å; V138-V450 HydrophobicContact CB-CG2 4.07Å; V138-V450 HydrophobicContact CG1-CG1 4.43Å; V138-V450 HydrophobicContact CG1-CG2 3.83Å
139L87.1Confident72.1Confident97 Ų9787.2 Ų87.251%0.50846%0.458SS..EExtended strand (participates in β ladder)trans-96.5121.5178.5-57.5178.3000109.8Q261 A262L139-Q261 WeakPolarHBondContact CA-O 3.42Å; L139-A262 HydrophobicContact CD2-CB 3.85Å
140V84.4Confident69.9Low3 Ų391.7 Ų91.72%0.01848%0.482CS..EExtended strand (participates in β ladder)trans-108.2117.9179-175.90000109.6V138 V260 Q261 V263 V396 V450 Q453 M454V138-V140 HydrophobicContact CG1-CG2 4.37Å; V140-V260 WeakPolarHBondContact O-CA 3.49Å; V140-Q261 PolarHBondContact N-O 3.33Å; V140-Q261 PolarHBondContact O-N 3.37Å; V140-V263 HydrophobicContact CG2-CG2 3.87Å; V140-V396 HydrophobicContact CG1-CG1 4.48Å; V140-V396 HydrophobicContact CG2-CG1 4.39Å; V140-V396 HydrophobicContact CG2-CG2 4.45Å; V140-V450 HydrophobicContact CG2-CG1 3.98Å; V140-V450 HydrophobicContact CG2-CG2 4.45Å; V140-Q453 HydrophobicContact CB-CB 4.34Å; V140-Q453 HydrophobicContact CG1-CB 3.97Å; V140-Q453 HydrophobicContact CG2-CB 4.48Å; V140-M454 HydrophobicContact CG1-CG 3.75Å
141P80.3Confident67.6Low49 Ų4992.1 Ų92.132%0.31849%0.486SS..EExtended strand (participates in β ladder)trans-66.3131.9171.6-18.832.2000111.2H143P141-H143 VanDerWaalsContact C-N 3.34Å
142R66.5Low66Low128 Ų12887.9 Ų87.948%0.48347%0.468SS..SBendtrans-79.6-14.8178-70165.7165.3176.2-5.8114.1D259R142-D259 HydrophobicContact CB-CB 4.44Å; R142-D259 VanDerWaalsContact CB-O 3.27Å; R142-D259 WeakPolarHBondContact CB-O 3.16Å; R142-D259 VanDerWaalsContact CD-OD1 3.3Å; R142-D259 WeakPolarHBondContact CD-OD1 3.45Å; R142-D259 WeakPolarHBondContact CD-OD2 3.37Å; R142-D259 WeakPolarHBondContact CG-O 3.48Å; R142-D259 IonicContact CZ-OD1 3.64Å; R142-D259 PolarHBondContact N-O 3.07Å; R142-D259 IonicContact NE-OD1 3.87Å; R142-D259 IonicContact NH1-OD1 2.7Å; R142-D259 PolarHBondContact NH1-OD1 3.36Å; R142-D259 IonicContact NH1-OD2 3.7Å
143H56.5Low64.5Low143 Ų14389.5 Ų89.566%0.66247%0.472SS*.SBendtrans-127.499.7-176.1-64.988.7000110.3P141 E145 D259P141-H143 VanDerWaalsContact C-N 3.34Å; H143-E145 PolarHBondContact O-N 2.84Å; H143-E145 VanDerWaalsContact O-N 3.13Å; H143-D259 IonicContact CE1-OD2 3.43Å; H143-D259 PolarHBondContact CE1-OD2 2.8Å; H143-D259 IonicContact ND1-OD2 3.76Å
144S49.9Very low62.8Low85 Ų8590.2 Ų90.259%0.59448%0.481SS*.  trans-86.268.1-175.7-60.90000112.8Y146S144-Y146 PolarHBondContact O-N 3.06Å
145E45.5Very low61Low193 Ų19389.6 Ų89.690%0.90247%0.469SS*.  trans-71.978.7159.8-71.4-163.7164.800109.3H143 N147H143-E145 PolarHBondContact O-N 2.84Å; H143-E145 VanDerWaalsContact O-N 3.13Å; E145-N147 PolarHBondContact O-N 2.93Å; E145-N147 VanDerWaalsContact O-N 3.15Å
146Y48Very low59.1Low103 Ų10396.4 Ų96.440%0.40450%0.498SS..  trans-67.4108.6-176.3-179.5-100.6000111S144 P148 S151S144-Y146 PolarHBondContact O-N 3.06Å; Y146-P148 HydrophobicContact CD1-CG 4.36Å; Y146-P148 HydrophobicContact CE1-CB 4.28Å; Y146-P148 WeakPolarHBondContact O-CD 3.45Å; Y146-S151 PolarHBondContact OH-OG 3.07Å
147N44.1Very low57Low92 Ų92101.2 Ų101.249%0.49250%0.504SS..  trans-74.6111.4170.6-177.5-9.9000109.8E145 Q149E145-N147 PolarHBondContact O-N 2.93Å; E145-N147 VanDerWaalsContact O-N 3.15Å; N147-Q149 PolarHBondContact O-N 2.84Å; N147-Q149 PolarHBondContact OD1-N 3.34Å
148P48.8Very low54.6Low93 Ų93103.2 Ų103.260%0.60451%0.511SS*.G310 helixtrans-67.7-12.2-171.4-20.634.8000114.8Y146 H150Y146-P148 HydrophobicContact CD1-CG 4.36Å; Y146-P148 HydrophobicContact CE1-CB 4.28Å; Y146-P148 WeakPolarHBondContact O-CD 3.45Å; P148-H150 VanDerWaalsContact C-N 3.35Å; P148-H150 PolarHBondContact O-N 3.05Å
149Q45Very low52.5Low175 Ų175108.1 Ų108.182%0.81854%0.537SS*.G310 helixtrans-78.4-14.4-172.5-61.5-174.4-10.300114.1N147N147-Q149 PolarHBondContact O-N 2.84Å; N147-Q149 PolarHBondContact OD1-N 3.34Å
150H48.9Very low50.1Low151 Ų151106.3 Ų106.370%0.69954%0.542SS*.G310 helixtrans-96.722.5179.4-87.6-89.6000114.3P148 L152P148-H150 VanDerWaalsContact C-N 3.35Å; P148-H150 PolarHBondContact O-N 3.05Å; H150-L152 PolarHBondContact O-N 3.11Å
151S42.7Very low48Very low36 Ų36113.9 Ų113.925%0.25258%0.577SS.*  trans-77.896-172.8-154.50000113.7Y146 L153 A154Y146-S151 PolarHBondContact OH-OG 3.07Å; S151-L153 PolarHBondContact O-N 2.79Å; S151-A154 PolarHBondContact O-N 2.77Å
152L49.3Very low46Very low75 Ų75119 Ų11939%0.39360%0.602SS.*THydrogen-bonded Turntrans-64.36169.2-67.8-171.9000114.5H150 A154 Q155 F156 H398H150-L152 PolarHBondContact O-N 3.11Å; L152-A154 PolarHBondContact O-N 3.21Å; L152-A154 VanDerWaalsContact O-N 3.12Å; L152-Q155 PolarHBondContact O-N 3.22Å; L152-F156 PolarHBondContact O-N 3.01Å; L152-H398 WeakPolarHBondContact CD1-NE2 3.38Å
153L47.6Very low44.5Very low88 Ų88119.8 Ų119.846%0.46161%0.611SS.*Hα-helixtrans-48.8-30.6158.3-82.8173.6000111.6S151 Q155 F156 R157S151-L153 PolarHBondContact O-N 2.79Å; L153-Q155 VanDerWaalsContact C-N 3.28Å; L153-Q155 PolarHBondContact O-N 2.95Å; L153-F156 PolarHBondContact O-N 2.74Å; L153-R157 WeakPolarHBondContact O-CB 3.36Å; L153-R157 PolarHBondContact O-N 2.85Å
154A43.1Very low43.6Very low56 Ų56118.1 Ų118.146%0.46361%0.613SS.*Hα-helixtrans-56.6-36.8172.100000113.4S151 L152 N158S151-A154 PolarHBondContact O-N 2.77Å; L152-A154 PolarHBondContact O-N 3.21Å; L152-A154 VanDerWaalsContact O-N 3.12Å; A154-N158 VanDerWaalsContact O-CB 3.28Å; A154-N158 WeakPolarHBondContact O-CB 3.47Å; A154-N158 PolarHBondContact O-N 3.16Å; A154-N158 PolarHBondContact O-ND2 3.28Å
155Q46.8Very low43.6Very low133 Ų133123.2 Ų123.262%0.62163%0.627SS**Hα-helixtrans-81-41.9178.7-74-177.7-22.300112.3L152 L153 R157L152-Q155 PolarHBondContact O-N 3.22Å; L153-Q155 VanDerWaalsContact C-N 3.28Å; L153-Q155 PolarHBondContact O-N 2.95Å; Q155-R157 VanDerWaalsContact C-N 3.31Å; Q155-R157 PolarHBondContact O-N 3.02Å
156F45.8Very low43.5Very low165 Ų165118 Ų11872%0.72460%0.603SS**Hα-helixtrans-71.1-22.1177.6-80.8-81.1000114.1L152 L153L152-F156 PolarHBondContact O-N 3.01Å; L153-F156 PolarHBondContact O-N 2.74Å
157R42.1Very low44.1Very low191 Ų191115.3 Ų115.372%0.72160%0.599SS**Hα-helixtrans-100.9-21-175.3-151.8176.4-157.11716.7113.7L153 Q155 L159 G160L153-R157 WeakPolarHBondContact O-CB 3.36Å; L153-R157 PolarHBondContact O-N 2.85Å; Q155-R157 VanDerWaalsContact C-N 3.31Å; Q155-R157 PolarHBondContact O-N 3.02Å; R157-L159 VanDerWaalsContact C-N 3.31Å; R157-L159 PolarHBondContact O-N 3.42Å; R157-G160 PolarHBondContact O-N 3.29Å
158N36Very low45Very low110 Ų110118.1 Ų118.159%0.58861%0.608SS**G310 helixtrans-74.2-9.8179.8-94.2-65.6000115.3A154 G160A154-N158 VanDerWaalsContact O-CB 3.28Å; A154-N158 WeakPolarHBondContact O-CB 3.47Å; A154-N158 PolarHBondContact O-N 3.16Å; A154-N158 PolarHBondContact O-ND2 3.28Å; N158-G160 PolarHBondContact O-N 3.16Å
159L43.1Very low45.9Very low104 Ų104114.5 Ų114.555%0.54558%0.584SS.*G310 helixtrans-62.2-25.9166.1-92.973.1000112R157 Q161R157-L159 VanDerWaalsContact C-N 3.31Å; R157-L159 PolarHBondContact O-N 3.42Å; L159-Q161 VanDerWaalsContact C-N 3.34Å; L159-Q161 PolarHBondContact O-N 2.91Å
160G37.9Very low47.3Very low60 Ų60106.5 Ų106.562%0.61955%0.548SS*.G310 helixtrans-80.47.1-171.700000117.3R157 N158R157-G160 PolarHBondContact O-N 3.29Å; N158-G160 PolarHBondContact O-N 3.16Å
161Q39.8Very low48.5Very low161 Ų161101 Ų10175%0.75253%0.525SS*.G310 helixtrans-130.66.1-177.3-70.4-164.2-18.100116.1L159L159-Q161 VanDerWaalsContact C-N 3.34Å; L159-Q161 PolarHBondContact O-N 2.91Å
162N38.2Very low49.5Very low158 Ų158102.1 Ų102.185%0.84553%0.525SS*.SBendtrans-152.758.9164.3-87.6-59.3000109.9P164N162-P164 WeakPolarHBondContact O-CD 3.44Å
163E35.7Very low49.5Very low143 Ų143101.7 Ų101.767%0.66853%0.527SS*.PPolyproline II helixtrans-69.7126.2177.5-86.4-148.3134.600112.2
164P37.9Very low49.4Very low108 Ų108104.1 Ų104.170%0.70154%0.54SS*.PPolyproline II helixtrans-69.9157.8146.75.112.9000109.4N162 M166N162-P164 WeakPolarHBondContact O-CD 3.44Å; P164-M166 PolarHBondContact O-N 3.44Å
165H48.3Very low49.4Very low192 Ų192104.8 Ų104.889%0.88954%0.542SS*.SBendtrans-55.1134.6171.8-110.444.5000111.8
166M45.1Very low49.6Very low84 Ų84101.4 Ų101.441%0.41453%0.525SS..SBendtrans1.2119.6170-155.7-178.1174.300117.1P164 A422 Q427P164-M166 PolarHBondContact O-N 3.44Å; M166-A422 HydrophobicContact CB-CB 4.04Å; M166-A422 HydrophobicContact CG-CB 3.81Å; M166-A422 VanDerWaalsContact O-CB 3.32Å; M166-A422 WeakPolarHBondContact O-CB 3.21Å; M166-A422 HydrophobicContact SD-CB 4.04Å; M166-Q427 PolarHBondContact SD-OE1 3.24Å
167P59.8Low49Very low47 Ų47102.6 Ų102.631%0.30553%0.533SS..PPolyproline II helixtrans-72.6146.5-166.526.6-33.8000115H367 A422P167-H367 HydrophobicContact CB-CB 4.16Å; P167-H367 HydrophobicContact CG-CB 3.46Å; P167-H367 VanDerWaalsContact CG-CB 3.46Å; P167-A422 WeakPolarHBondContact O-CB 3.48Å
168H62.9Low48.5Very low150 Ų150102.5 Ų102.569%0.69454%0.541SS*.PPolyproline II helixtrans-52.1158.3178.8-63.893.4000114.9E423H168-E423 WeakPolarHBondContact CA-OE1 3.49Å; H168-E423 WeakPolarHBondContact CB-OE1 3.04Å; H168-E423 IonicContact CD2-OE1 3.86Å; H168-E423 IonicContact CG-OE1 3.21Å
169N67.4Low48.6Very low18 Ų18102.9 Ų102.910%0.09655%0.549CS..PPolyproline II helixtrans-101.9149.1-179.9-70.1-51.3000111.5V371 E423 Y424N169-V371 WeakPolarHBondContact CB-O 2.94Å; N169-V371 PolarHBondContact OD1-N 2.74Å; N169-V371 PolarHBondContact OD1-O 2.98Å; N169-E423 HydrophobicContact CB-CG 4.31Å; N169-E423 VanDerWaalsContact N-CD 3.33Å; N169-E423 PolarHBondContact N-OE1 3.45Å; N169-E423 PolarHBondContact ND2-N 2.82Å; N169-Y424 HydrophobicContact CB-CE2 4.44Å; N169-Y424 WeakPolarHBondContact ND2-CD2 3.36Å; N169-Y424 WeakPolarHBondContact ND2-CE2 3.49Å
170A75.9Confident47.8Very low6 Ų6105.3 Ų105.35%0.0556%0.563CS.*PPolyproline II helixtrans-96143.8-179.400000112F176 F366 C372 K373A170-F176 HydrophobicContact CB-CZ 4.16Å; A170-F366 HydrophobicContact CB-CD2 4.26Å; A170-F366 HydrophobicContact CB-CE2 3.51Å; A170-F366 HydrophobicContact CB-CZ 3.73Å; A170-C372 WeakPolarHBondContact O-CA 3.46Å; A170-K373 PolarHBondContact O-N 3.48Å
171T73.2Confident47.3Very low35 Ų35106.4 Ų106.422%0.21556%0.561CS.*BIsolated β-bridgetrans-120.9118.1172.7-65.40000110.5D174 S175 K373T171-D174 PolarHBondContact O-N 3.07Å; T171-S175 PolarHBondContact N-OG 2.9Å; T171-S175 WeakPolarHBondContact O-CB 3.35Å; T171-S175 PolarHBondContact O-N 3.26Å; T171-S175 PolarHBondContact O-OG 3.18Å; T171-S175 VanDerWaalsContact O-OG 3.09Å; T171-K373 HydrophobicContact CG2-CD 4.1Å
172F63.5Low46.9Very low60 Ų60107.6 Ų107.626%0.26357%0.566SS.*THydrogen-bonded Turntrans-81.9139.8173-155.9-87.5000109.9F176 K373 P375 L380F172-F176 HydrophobicContact CB-CD2 4.47Å; F172-F176 HydrophobicContact CB-CE2 4.2Å; F172-F176 AromaticContact CD2-CD2 3.37Å; F172-F176 HydrophobicContact CD2-CD2 3.37Å; F172-F176 AromaticContact CD2-CE2 3.51Å; F172-F176 HydrophobicContact CD2-CE2 3.51Å; F172-F176 HydrophobicContact CD2-CG 4.06Å; F172-F176 HydrophobicContact CD2-CZ 4.27Å; F172-F176 HydrophobicContact CE2-CB 4.39Å; F172-F176 AromaticContact CE2-CD2 3.83Å; F172-F176 HydrophobicContact CE2-CD2 3.83Å; F172-F176 HydrophobicContact CE2-CE2 4.31Å; F172-F176 HydrophobicContact CE2-CG 4.06Å; F172-F176 HydrophobicContact CG-CD2 4.19Å; F172-F176 HydrophobicContact CG-CE2 4.27Å; F172-K373 PolarHBondContact N-O 3.39Å; F172-P375 WeakPolarHBondContact O-CD 3.38Å; F172-P375 WeakPolarHBondContact O-CG 3.43Å; F172-L380 HydrophobicContact CD2-CD1 3.89Å; F172-L380 HydrophobicContact CE2-CD1 4.25Å; F172-L380 HydrophobicContact CG-CD1 4.48Å
173P50.3Low46.5Very low66 Ų66105.3 Ų105.343%0.42956%0.56SS.*THydrogen-bonded Turncis-91.6-14.91.936.8-35.6000115.1S175 F176P173-S175 VanDerWaalsContact C-N 3.25Å; P173-S175 PolarHBondContact O-N 2.95Å; P173-S175 VanDerWaalsContact O-N 3.1Å; P173-F176 PolarHBondContact O-N 3.22Å; P173-F176 VanDerWaalsContact O-N 3.12Å
174D44.4Very low46.1Very low139 Ų139108.5 Ų108.574%0.74357%0.572SS**THydrogen-bonded Turntrans-62.3-26.7-162.7-59.5-48.2000114.4T171 F176T171-D174 PolarHBondContact O-N 3.07Å; D174-F176 VanDerWaalsContact C-N 3.27Å; D174-F176 PolarHBondContact O-N 3.37Å
175S43.6Very low45.9Very low71 Ų71109 Ų10950%0.49758%0.575SS.*THydrogen-bonded Turntrans-760.6178.3-54.60000115.5T171 P173T171-S175 PolarHBondContact N-OG 2.9Å; T171-S175 WeakPolarHBondContact O-CB 3.35Å; T171-S175 PolarHBondContact O-N 3.26Å; T171-S175 PolarHBondContact O-OG 3.18Å; T171-S175 VanDerWaalsContact O-OG 3.09Å; P173-S175 VanDerWaalsContact C-N 3.25Å; P173-S175 PolarHBondContact O-N 2.95Å; P173-S175 VanDerWaalsContact O-N 3.1Å
176F50.8Low44.9Very low62 Ų62108.5 Ų108.527%0.27257%0.573SS.*  trans-122.632.9-163.6-61.2-84.4000116A170 F172 P173 D174 H364 F366A170-F176 HydrophobicContact CB-CZ 4.16Å; F172-F176 HydrophobicContact CB-CD2 4.47Å; F172-F176 HydrophobicContact CB-CE2 4.2Å; F172-F176 AromaticContact CD2-CD2 3.37Å; F172-F176 HydrophobicContact CD2-CD2 3.37Å; F172-F176 AromaticContact CD2-CE2 3.51Å; F172-F176 HydrophobicContact CD2-CE2 3.51Å; F172-F176 HydrophobicContact CD2-CG 4.06Å; F172-F176 HydrophobicContact CD2-CZ 4.27Å; F172-F176 HydrophobicContact CE2-CB 4.39Å; F172-F176 AromaticContact CE2-CD2 3.83Å; F172-F176 HydrophobicContact CE2-CD2 3.83Å; F172-F176 HydrophobicContact CE2-CE2 4.31Å; F172-F176 HydrophobicContact CE2-CG 4.06Å; F172-F176 HydrophobicContact CG-CD2 4.19Å; F172-F176 HydrophobicContact CG-CE2 4.27Å; P173-F176 PolarHBondContact O-N 3.22Å; P173-F176 VanDerWaalsContact O-N 3.12Å; D174-F176 VanDerWaalsContact C-N 3.27Å; D174-F176 PolarHBondContact O-N 3.37Å; F176-H364 AromaticContact CD1-CD2 3.98Å; F176-H364 AromaticContact CE1-CD2 3.55Å; F176-H364 AromaticContact CE1-NE2 3.98Å; F176-F366 AromaticContact CE1-CE2 3.99Å; F176-F366 HydrophobicContact CE1-CE2 3.99Å; F176-F366 AromaticContact CE1-CZ 3.68Å; F176-F366 HydrophobicContact CE1-CZ 3.68Å; F176-F366 AromaticContact CZ-CE2 3.83Å; F176-F366 HydrophobicContact CZ-CE2 3.83Å; F176-F366 AromaticContact CZ-CZ 3.74Å; F176-F366 HydrophobicContact CZ-CZ 3.74Å
177Q33.8Very low44.2Very low189 Ų189110.2 Ų110.288%0.88359%0.593SS**PPolyproline II helixtrans-82118.6159.4-67.8-171.2-4.800109.6
178Q31.5Very low43.3Very low189 Ų189113.3 Ų113.388%0.88361%0.613SS**PPolyproline II helixtrans-72152.3173.1-94.4-165.3-10.100111.7
179P37.5Very low41.7Very low119 Ų119113.9 Ų113.977%0.77362%0.622SS**PPolyproline II helixtrans-83135.3-165.431.9-35.4000113.3
180N26.5Very low39.8Very low154 Ų154117.8 Ų117.882%0.82465%0.65SS**  trans-158.1149.9145.3-132.9-23.3000115.2
181S27.1Very low37.5Very low84 Ų84121.4 Ų121.459%0.58768%0.675SS**  trans47.3105.6154.760.70000121.7
182H30.5Very low35.2Very low185 Ų185129.9 Ų129.986%0.85671%0.705SS**  trans53.1121.6136.9-53.7-67.1000122.3
183P30Very low34.3Very low110 Ų110132.1 Ų132.171%0.71473%0.725SS**  trans-98.5137.4165.936.1-29.9000113.5
184F27.8Very low33.4Very low211 Ų211135.9 Ų135.993%0.92574%0.742SS**  trans-179.2158.2153.8-83.4-50.1000109.5
185P34.2Very low32.9Very low118 Ų118134.2 Ų134.277%0.76674%0.741SS**  -125.9-175.3-55.232.9-14.2000112.9
186H28Very low33Very low181 Ų181136.5 Ų136.584%0.83875%0.754SS**  trans-71.4163.4-170.5-53.5-85.2000117.3
187S29.9Very low31.9Very low121 Ų121137 Ų13785%0.84678%0.777SS**  trans-154157.3139-83.20000112.6
188P41Very low31.9Very low112 Ų112134.2 Ų134.273%0.72778%0.778SS**  trans-131.1163.2-152.241.2-25.4000117.8
189N27.8Very low31.8Very low162 Ų162128.8 Ų128.887%0.86677%0.773SS**  trans171.2160.1156.9-96.1-31.5000108.9
190S28.8Very low31.4Very low99 Ų99128.6 Ų128.669%0.69278%0.775SS**  cis-178.5151.5-14.8177.50000109
191S27.3Very low31.6Very low82 Ų82127.3 Ų127.357%0.57378%0.778SS**  cis-170.5138.9-24.6-72.80000111.1
192Y25.8Very low31.7Very low213 Ų213128.6 Ų128.684%0.83578%0.782SS**  trans62.4169.4160-60.6-59.6000119.9
193P44.6Very low31.8Very low108 Ų108130.2 Ų130.270%0.70178%0.782SS**  cis-129.1160-533-13.8000117.5
194N29.7Very low32.5Very low145 Ų145129.4 Ų129.478%0.77578%0.777SS**  trans38.6153.8135.7-60.2-0.3000122
195S35.1Very low32.6Very low104 Ų104127.9 Ų127.973%0.72777%0.772SS**  cis-172.4-172.813.4-122.70000109.2
196P45.2Very low32.3Very low119 Ų119127.8 Ų127.877%0.77377%0.774SS**  cis-136.4164.4-2936.4-19.4000115.6
197G27.9Very low33.2Very low73 Ų73124.8 Ų124.875%0.75377%0.771SS**  97.9116.4126.300000122.1
198S33.3Very low33.1Very low130 Ų130123.5 Ų123.591%0.90977%0.767SS**  trans-173159.6130.3-83.50000111.9
199G28.9Very low32.5Very low75 Ų75123.6 Ų123.677%0.77377%0.771SS**  trans-47.6141.9-165.100000117.8
200S29.3Very low32.6Very low115 Ų115121.4 Ų121.480%0.80477%0.768SS**  85.8102.252.2-177.40000113.6
201S32Very low32.7Very low127 Ų127124 Ų12489%0.88878%0.775SS**  trans-159.3129.3150.1-78.80000109.1
202T29.6Very low33.4Very low111 Ų111126.3 Ų126.368%0.68179%0.787SS**  trans-110.2149.1-177.144.20000111.3
203Y31.9Very low33.5Very low219 Ų219119.9 Ų119.986%0.85979%0.786SS**  -177.3161.1125.1-86.4-49000110
204P45.3Very low32.9Very low92 Ų92120.1 Ų120.160%0.59779%0.79SS**  trans-131.8-172.5-144.622.24.7000115.7
205H29.6Very low33.4Very low180 Ų180117.6 Ų117.683%0.83378%0.782SS**  trans107.7142.8157.9-57-68.4000119
206S27.4Very low33.1Very low116 Ų116121.1 Ų121.181%0.81178%0.784SS**  trans-111-158.5-176.3-410000107.9
207P46.5Very low32.3Very low117 Ų117123.6 Ų123.676%0.7679%0.786SS**  cis-141.4176.1-0.643-24000117.6
208A27.8Very low32.6Very low94 Ų94127.5 Ų127.578%0.77779%0.786SS**  trans43.3123.1138.900000123.3
209S29.3Very low33.2Very low115 Ų115126.9 Ų126.980%0.80478%0.779SS**  trans-169.2159133.846.50000107.8
210S29.7Very low33.3Very low115 Ų115126.9 Ų126.980%0.80477%0.771SS**  cis169.3122.1-30-92.50000104.6
211D29.7Very low33.3Very low155 Ų155129.4 Ų129.483%0.82978%0.776SS**  trans-52.5157.2164.6-106.5-59.9000111.6
212P43.2Very low33.2Very low129 Ų129129.4 Ų129.484%0.83877%0.771SS**  -157.6174.764.242.3-21.9000119.1
213G27.6Very low34Very low78 Ų78129.5 Ų129.580%0.80477%0.774SS**  trans156101.3148.800000118.4
214S31.1Very low34.6Very low114 Ų114124.6 Ų124.680%0.79777%0.769SS**  trans-131.6150.9162.6-171.60000108.5
215P42Very low34.8Very low92 Ų92125.6 Ų125.660%0.59778%0.775SS**  -154.8178.6100.130.2-6.4000117.3
216F28.2Very low34.8Very low177 Ų177121.5 Ų121.578%0.77677%0.772SS**  trans77.7143.6162.9-55.1-61.6000119.4
217Q28.9Very low34.9Very low172 Ų172126.5 Ų126.580%0.80478%0.775SS**  cis-162.5155.8-26.4-157161.91.800111
218M34.1Very low34.4Very low154 Ų154128.1 Ų128.176%0.75978%0.776SS**  trans-101.4164176.6-73.8-71.4-71.800111.1A220M218-A220 HydrophobicContact CE-CB 4.34Å
219P45.1Very low35.6Very low118 Ų118128 Ų12877%0.76677%0.768SS**  cis-131.5168.846.8215.2000114.9
220A30.4Very low36.1Very low74 Ų74128.6 Ų128.661%0.61277%0.769SS**  cis92.9119.53500000115.9M218M218-A220 HydrophobicContact CE-CB 4.34Å
221D29.3Very low36.1Very low168 Ų168131.6 Ų131.690%0.89877%0.77SS**  trans-173163.9155.5-105.8-25.9000113.4
222T30.4Very low36.2Very low128 Ų128130.6 Ų130.679%0.78577%0.765SS**  trans-160-177.7-174.8510000111.5
223P46.9Very low35.6Very low113 Ų113132.6 Ų132.673%0.73476%0.763SS**  -119.6-135.7-51.536-15.6000109
224P44.5Very low35.9Very low116 Ų116137.4 Ų137.475%0.75377%0.766SS**  cis-124.7-115.4-2233.5-7000114.5
225P48.7Very low35.9Very low112 Ų112140.4 Ų140.473%0.72777%0.772SS**  trans-141.4178.8-14243.3-19000121.3
226A29.7Very low35.5Very low94 Ų94143.1 Ų143.178%0.77778%0.776SS**  trans67.1127.8144.500000124.4
227Y30.8Very low35.3Very low222 Ų222142 Ų14287%0.87178%0.778SS**  trans-162156.6141.1-140.2-95.2000114.3
228L34.1Very low35.2Very low150 Ų150138.8 Ų138.879%0.78577%0.77SS**  trans-165.1162.4172.9-98.8173.7000108.3
229P54.8Low34.9Very low92 Ų92137.4 Ų137.460%0.59778%0.776SS**  -107.6-150.9-57.239.9-25.4000109.7
230P37.9Very low34.3Very low128 Ų128140.6 Ų140.683%0.83178%0.781SS**  trans-137.8171.4131.635.1-21000114.5
231E30.1Very low35.1Very low177 Ų177142.6 Ų142.683%0.82779%0.787SS**  trans-112.6-154.8-174.1-57.5-172.299.500113.3
232D32.6Very low35Very low134 Ų134143.3 Ų143.372%0.71779%0.787SS**  trans91.2137.8166.6-63.3-31.9000119.2
233H30.9Very low35.3Very low172 Ų172144.8 Ų144.880%0.79679%0.791SS**  cis-151173.95.8-118.88.3000112.3
234M33Very low34.5Very low179 Ų179146.3 Ų146.388%0.88280%0.798SS**  trans-98.5159.7-175.3-56.7-169.8-175.700115.5
235I32.2Very low34Very low177 Ų177147.1 Ų147.191%0.90880%0.796SS**  trans-138.3151.2144.8-67.9-169.7000109.3
236H32.1Very low33Very low149 Ų149149 Ų14969%0.6980%0.797SS**  trans-136.1139.7-170.1171.2-18.4000109.9
237D24.3Very low33.1Very low152 Ų152152.9 Ų152.981%0.81380%0.801SS**  trans-157.2166.7150.5-146.5-17.7000112.2
238T27.7Very low33.2Very low105 Ų105149 Ų14964%0.64480%0.8SS**  trans-151.8126.9-166.825.40000113.3
239S28.1Very low33.2Very low126 Ų126147.4 Ų147.488%0.88180%0.799SS**  trans-159.1149.9154.650.10000113.5
240Q31.2Very low32.2Very low185 Ų185148 Ų14886%0.86481%0.811SS**  trans-124.4177.2167.4-72.6-172.6-1500107.4
241P47Very low32Very low115 Ų115150.2 Ų150.275%0.74781%0.813SS**  cis-123.2-170.2-15.529.2-8.2000111.6
242M28.5Very low32.3Very low184 Ų184147.4 Ų147.491%0.90681%0.81SS**  trans-176.5143.6140-99-60.7-179.500110.1
243D36.2Very low32.8Very low159 Ų159146.1 Ų146.185%0.8581%0.809SS**  trans-87.9131.4176-67.3-75.4000112.6
244T29.8Very low33.3Very low144 Ų144145 Ų14588%0.88381%0.808SS**  trans-145.5127.1148-43.40000110.9
245N34.6Very low33.5Very low134 Ų134144.6 Ų144.672%0.71781%0.808SS**  trans-90.2132.9172179.516.5000110.1
246M28.4Very low33.9Very low152 Ų152144.7 Ų144.775%0.74980%0.804SS**  trans175151140.3-97.5-53.214200114.6
247M31Very low34.5Very low175 Ų175149.4 Ų149.486%0.86282%0.816SS**  trans53.892.6157.7-72.9-178.3165.200119.7
248V34Very low35.6Very low139 Ų139144.8 Ų144.884%0.84280%0.804SS**PPolyproline II helixtrans-82.2137150.6-1760000108.9
249P33.2Very low37.6Very low118 Ų118143.2 Ų143.277%0.76679%0.792SS**PPolyproline II helixtrans-62.9138.5174.3-22.333.9000112.5M251P249-M251 PolarHBondContact O-N 3.14Å
250A32.8Very low39.8Very low103 Ų103141.1 Ų141.185%0.85177%0.773SS**PPolyproline II helixtrans-70.8124.6-179.900000111.9
251M35.1Very low42.3Very low176 Ų176135.4 Ų135.487%0.86775%0.746SS**PPolyproline II helixtrans-75.4148.7160.4-71.6-175.2170.800109.7P249P249-M251 PolarHBondContact O-N 3.14Å
252P35.5Very low44.3Very low118 Ų118132.9 Ų132.977%0.76674%0.735SS**PPolyproline II helixtrans-66.5142.5177.827.9-34.3000111.2
253P43.6Very low47.2Very low107 Ų107124.3 Ų124.370%0.69569%0.694SS**  trans-74.1179.6169.634-35.9000111.6
254D41.3Very low49.8Very low148 Ų148119.3 Ų119.379%0.79167%0.674SS**  trans67.166.4165.1-54.5-36.5000117.4
255I37.6Very low52.6Low170 Ų170114.5 Ų114.587%0.87264%0.64SS**  trans-100.6124.2134.5-60.4178.9000106.9R257I255-R257 PolarHBondContact O-N 3.32Å
256H39.9Very low55.1Low179 Ų179113.2 Ų113.283%0.82963%0.63SS**  trans-55.7124-174-69.9-91.1000112.4G258H256-G258 PolarHBondContact O-N 2.88Å; H256-G258 VanDerWaalsContact O-N 3.11Å
257R44.5Very low57.8Low249 Ų249111.4 Ų111.494%0.9462%0.619SS**  trans-65109.3155.4-86.3-174.9168.3-176-3.2107.5I255I255-R257 PolarHBondContact O-N 3.32Å
258G48.3Very low60.6Low54 Ų54104.7 Ų104.756%0.55759%0.589SS**  trans-53.6141177.800000111.9H256 V260H256-G258 PolarHBondContact O-N 2.88Å; H256-G258 VanDerWaalsContact O-N 3.11Å; G258-V260 VanDerWaalsContact C-N 3.34Å; G258-V260 PolarHBondContact O-N 2.94Å
259D68.3Low63Low73 Ų73106.6 Ų106.639%0.3959%0.586SS.*  trans-76.780.5-168-165.423.6000111.3R142 H143R142-D259 HydrophobicContact CB-CB 4.44Å; R142-D259 VanDerWaalsContact CB-O 3.27Å; R142-D259 WeakPolarHBondContact CB-O 3.16Å; R142-D259 VanDerWaalsContact CD-OD1 3.3Å; R142-D259 WeakPolarHBondContact CD-OD1 3.45Å; R142-D259 WeakPolarHBondContact CD-OD2 3.37Å; R142-D259 WeakPolarHBondContact CG-O 3.48Å; R142-D259 IonicContact CZ-OD1 3.64Å; R142-D259 PolarHBondContact N-O 3.07Å; R142-D259 IonicContact NE-OD1 3.87Å; R142-D259 IonicContact NH1-OD1 2.7Å; R142-D259 PolarHBondContact NH1-OD1 3.36Å; R142-D259 IonicContact NH1-OD2 3.7Å; H143-D259 IonicContact CE1-OD2 3.43Å; H143-D259 PolarHBondContact CE1-OD2 2.8Å; H143-D259 IonicContact ND1-OD2 3.76Å
260V75.9Confident65.8Low81 Ų81103.5 Ų103.549%0.49156%0.561SS.*EExtended strand (participates in β ladder)trans-106.4137.7-178.2-63.30000111.8V140 G258V140-V260 WeakPolarHBondContact O-CA 3.49Å; G258-V260 VanDerWaalsContact C-N 3.34Å; G258-V260 PolarHBondContact O-N 2.94Å
261Q84Confident68.8Low65 Ų6599.8 Ų99.830%0.30453%0.525SS..EExtended strand (participates in β ladder)trans-107.7131.5178-167.8162.2-50.400110.8L139 V140 Q453L139-Q261 WeakPolarHBondContact CA-O 3.42Å; V140-Q261 PolarHBondContact N-O 3.33Å; V140-Q261 PolarHBondContact O-N 3.37Å; Q261-Q453 VanDerWaalsContact CD-OE1 3.26Å
262A87.6Confident71.7Confident62 Ų6291.4 Ų91.451%0.51248%0.484SS..EExtended strand (participates in β ladder)trans-92.1127.6-179.200000111.4P137 L139P137-A262 HydrophobicContact CB-CB 4.19Å; P137-A262 HydrophobicContact CG-CB 4.48Å; L139-A262 HydrophobicContact CD2-CB 3.85Å
263V90.2Very high74.7Confident5 Ų586.5 Ų86.53%0.0345%0.452CS..EExtended strand (participates in β ladder)trans-112.6101179.8-165.70000109.6P137 V138 V140 W446 K449 V450 Q453P137-V263 VanDerWaalsContact CA-O 3.32Å; P137-V263 WeakPolarHBondContact CA-O 3.43Å; V138-V263 HydrophobicContact CB-CB 4.49Å; V138-V263 PolarHBondContact N-O 2.89Å; V138-V263 PolarHBondContact O-N 2.96Å; V140-V263 HydrophobicContact CG2-CG2 3.87Å; V263-W446 PolarHBondContact O-NE1 2.72Å; V263-K449 HydrophobicContact CG1-CB 3.56Å; V263-K449 HydrophobicContact CG1-CD 4.36Å; V263-V450 HydrophobicContact CB-CG2 3.97Å; V263-V450 HydrophobicContact CG1-CG2 3.95Å; V263-V450 HydrophobicContact CG2-CG2 4.07Å; V263-Q453 VanDerWaalsContact CG2-OE1 3.27Å
264A89.8Confident77.3Confident54 Ų5481.4 Ų81.445%0.44642%0.419SS..  trans-74.5149.5175.900000112.2
265Y90Very high80Confident43 Ų4375 Ų7517%0.16939%0.385CS..  trans-76.5144.1166.9-179.9-105000110.6L135 E267 N385 W446L135-Y265 HydrophobicContact CD1-CD1 3.76Å; L135-Y265 HydrophobicContact CD1-CD2 4.22Å; L135-Y265 HydrophobicContact CD1-CE1 4.09Å; L135-Y265 HydrophobicContact CD1-CG 3.82Å; Y265-E267 HydrophobicContact CD1-CG 4.45Å; Y265-E267 HydrophobicContact CE1-CG 3.56Å; Y265-N385 PolarHBondContact OH-ND2 3.2Å; Y265-W446 HydrophobicContact CD2-CB 4.08Å; Y265-W446 AromaticContact CD2-CD2 3.81Å; Y265-W446 HydrophobicContact CD2-CD2 3.81Å; Y265-W446 AromaticContact CD2-CE3 3.45Å; Y265-W446 HydrophobicContact CD2-CE3 3.45Å; Y265-W446 VanDerWaalsContact CD2-CE3 3.45Å; Y265-W446 HydrophobicContact CD2-CG 4.13Å; Y265-W446 HydrophobicContact CD2-CZ3 4.05Å; Y265-W446 HydrophobicContact CE2-CE3 4.32Å; Y265-W446 HydrophobicContact CG-CD2 4.34Å; Y265-W446 HydrophobicContact CG-CE3 4.07Å; Y265-W446 HydrophobicContact CG-CZ3 4.29Å
266E86.5Confident82.9Confident107 Ų10766.9 Ų66.950%0.534%0.344SS..  trans-132.5139.7172.9-79.4157.9-135.400108.1P268 K449E266-P268 WeakPolarHBondContact O-CD 3.46Å; E266-K449 IonicContact OE1-NZ 3.16Å; E266-K449 PolarHBondContact OE1-NZ 3.21Å; E266-K449 IonicContact OE2-NZ 2.67Å; E266-K449 PolarHBondContact OE2-NZ 3.26Å
267E85.6Confident85.7Confident113 Ų11360.3 Ų60.353%0.52831%0.312SS..  trans-82.2123.9176.6-73.4-165.414800111.3S132 Y265 Y338S132-E267 PolarHBondContact OG-OE1 3.35Å; Y265-E267 HydrophobicContact CD1-CG 4.45Å; Y265-E267 HydrophobicContact CE1-CG 3.56Å; E267-Y338 WeakPolarHBondContact OE1-CE1 3.4Å; E267-Y338 PolarHBondContact OE1-OH 3.04Å
268P88.6Confident88.3Confident34 Ų3448.5 Ų48.522%0.22127%0.267CS..  trans-77.4154.6-18031.5-37.4000112.7E266 H270 H441E266-P268 WeakPolarHBondContact O-CD 3.46Å; P268-H270 WeakPolarHBondContact CB-O 3.35Å; P268-H270 WeakPolarHBondContact CG-O 3.48Å; P268-H270 PolarHBondContact O-N 3.22Å; P268-H270 VanDerWaalsContact O-N 3.12Å; P268-H441 HydrophobicContact CB-CB 4.23Å; P268-H441 HydrophobicContact CG-CB 3.81Å
269K85.7Confident90.7Very high180 Ų18048.3 Ų48.378%0.78325%0.254SS*.SBendtrans-55.3-29.1176.4179.2-178.2173.2-175.30114.4
270H92Very high92Very high53 Ų5350.4 Ų50.425%0.24527%0.265CS..SBendtrans-124127.8170.4-61.7-87.5000106.8P268 A289 S290 H441P268-H270 WeakPolarHBondContact CB-O 3.35Å; P268-H270 WeakPolarHBondContact CG-O 3.48Å; P268-H270 PolarHBondContact O-N 3.22Å; P268-H270 VanDerWaalsContact O-N 3.12Å; H270-A289 CarbonylContact C-O 3.59Å; H270-A289 VanDerWaalsContact CA-O 3.24Å; H270-A289 WeakPolarHBondContact CA-O 3.42Å; H270-S290 PolarHBondContact ND1-N 2.73Å; H270-H441 VanDerWaalsContact O-CB 3.31Å; H270-H441 WeakPolarHBondContact O-CB 3.42Å; H270-H441 PolarHBondContact O-ND1 3.4Å
271W94.4Very high93.1Very high24 Ų2449.1 Ų49.19%0.09126%0.255CS..SBendtrans-82.4-25.2-175.568.6-91000112.4A289 S291 L336 Y338 V343 L440 H441W271-A289 HydrophobicContact CZ2-CB 4.34Å; W271-A289 PolarHBondContact N-O 2.97Å; W271-A289 VanDerWaalsContact N-O 3.1Å; W271-S291 PolarHBondContact NE1-O 3.11Å; W271-L336 HydrophobicContact CH2-CB 4.23Å; W271-Y338 HydrophobicContact CD2-CG 4.42Å; W271-V343 HydrophobicContact CE3-CG2 4.31Å; W271-V343 HydrophobicContact CH2-CG1 3.9Å; W271-V343 HydrophobicContact CZ3-CB 4.46Å; W271-V343 HydrophobicContact CZ3-CG1 3.65Å; W271-V343 HydrophobicContact CZ3-CG2 3.87Å; W271-L440 HydrophobicContact CE3-CD2 4.08Å; W271-L440 HydrophobicContact CZ3-CD2 3.82Å; W271-H441 PolarHBondContact O-N 2.74Å
272C97Very high93.7Very high0 Ų052.7 Ų52.70%027%0.266CS..EExtended strand (participates in β ladder)trans-150166.1169.2720000113.6A289 I438 H439 L440C272-A289 WeakPolarHBondContact O-CB 3.47Å; C272-A289 PolarHBondContact O-N 3.13Å; C272-A289 VanDerWaalsContact SG-CB 3.54Å; C272-I438 HydrophobicContact CB-CG2 4.05Å; C272-H439 CarbonylContact C-O 3.6Å; C272-H439 WeakPolarHBondContact CA-O 3.44Å; C272-H439 WeakPolarHBondContact CB-O 3.35Å; C272-L440 HydrophobicContact CB-CD2 3.99Å
273S97.5Very high94.2Very high15 Ų1550 Ų5011%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-119.9148.1158.9570000110.9F287 I438 H439 H441S273-F287 CarbonylContact C-O 3.58Å; S273-F287 WeakPolarHBondContact CA-O 3.38Å; S273-F287 WeakPolarHBondContact CB-O 3.43Å; S273-I438 WeakPolarHBondContact O-CA 3.41Å; S273-H439 PolarHBondContact N-O 3.22Å; S273-H439 PolarHBondContact O-N 3.35Å; S273-H441 WeakPolarHBondContact CB-NE2 3.44Å; S273-H441 PolarHBondContact N-NE2 2.99Å; S273-H441 VanDerWaalsContact N-NE2 3.12Å; S273-H441 PolarHBondContact OG-NE2 2.85Å
274I98.3Very high94.4Very high0 Ų051.4 Ų51.40%026%0.259CS..EExtended strand (participates in β ladder)trans-124.5127.8-174.8-49.5176.2000108.5A286 F287 V294 V296 F309 L336 I436 E437 I438I274-A286 WeakPolarHBondContact O-CA 3.45Å; I274-F287 HydrophobicContact CB-CB 4.39Å; I274-F287 HydrophobicContact CD1-CD1 4.22Å; I274-F287 PolarHBondContact N-O 3.23Å; I274-F287 PolarHBondContact O-N 3.33Å; I274-V294 HydrophobicContact CD1-CG1 4.16Å; I274-V296 HydrophobicContact CD1-CG2 3.76Å; I274-F309 HydrophobicContact CB-CD1 4.22Å; I274-F309 HydrophobicContact CB-CE1 4.27Å; I274-F309 HydrophobicContact CG2-CD1 4Å; I274-F309 HydrophobicContact CG2-CE1 3.98Å; I274-L336 HydrophobicContact CD1-CD1 3.65Å; I274-I436 HydrophobicContact CG2-CB 3.84Å; I274-I436 HydrophobicContact CG2-CD1 3.93Å; I274-I436 HydrophobicContact CG2-CG1 4.42Å; I274-I436 HydrophobicContact CG2-CG2 3.92Å; I274-E437 WeakPolarHBondContact CA-O 3.44Å; I274-I438 HydrophobicContact CG1-CG1 4.47Å; I274-I438 HydrophobicContact CG1-CG2 4.43Å; I274-I438 HydrophobicContact CG2-CG1 4.33Å
275V98.4Very high94.6Very high13 Ų1356.6 Ų56.68%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-119.5130.8179.3-173.60000109.1Y277 R282 A286 I436 E437V275-Y277 HydrophobicContact CB-CE2 3.8Å; V275-Y277 HydrophobicContact CG1-CD2 4.2Å; V275-Y277 HydrophobicContact CG1-CE2 3.44Å; V275-Y277 VanDerWaalsContact CG1-CE2 3.44Å; V275-R282 HydrophobicContact CG1-CG 3.72Å; V275-R282 VanDerWaalsContact CG1-NE 3.31Å; V275-A286 HydrophobicContact CG2-CB 3.94Å; V275-I436 CarbonylContact O-C 3.55Å; V275-I436 WeakPolarHBondContact O-CA 3.22Å; V275-E437 PolarHBondContact N-O 3.2Å; V275-E437 PolarHBondContact O-N 3.02Å
276Y98.6Very high94.9Very high0 Ų055.9 Ų55.90%028%0.276CS..EExtended strand (participates in β ladder)trans-97.3143.6-179.7174.2-111.3000112.3E278 V283 L311 L314 R327 C434 W435 I436Y276-E278 HydrophobicContact CE1-CG 3.64Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.38Å; Y276-E278 VanDerWaalsContact CZ-OE1 3.31Å; Y276-E278 VanDerWaalsContact OH-CG 3.23Å; Y276-E278 WeakPolarHBondContact OH-CG 3.47Å; Y276-E278 PolarHBondContact OH-OE1 2.8Å; Y276-V283 HydrophobicContact CD1-CB 3.72Å; Y276-V283 HydrophobicContact CD1-CG1 3.88Å; Y276-V283 HydrophobicContact CE1-CB 3.92Å; Y276-V283 HydrophobicContact CE1-CG1 3.84Å; Y276-V283 PolarHBondContact O-N 3.02Å; Y276-L311 HydrophobicContact CD1-CD2 4.33Å; Y276-L311 HydrophobicContact CD2-CD1 3.74Å; Y276-L311 HydrophobicContact CD2-CD2 3.8Å; Y276-L311 HydrophobicContact CD2-CG 4.28Å; Y276-L311 HydrophobicContact CE2-CD1 3.83Å; Y276-L311 HydrophobicContact CE2-CD2 4.46Å; Y276-L311 HydrophobicContact CG-CD1 4.5Å; Y276-L311 HydrophobicContact CG-CD2 3.72Å; Y276-L314 HydrophobicContact CD1-CD1 3.54Å; Y276-L314 HydrophobicContact CE1-CD1 4.2Å; Y276-L314 HydrophobicContact CG-CD1 4.16Å; Y276-R327 PolarHBondContact OH-NH1 3.19Å; Y276-C434 HydrophobicContact CE2-CB 4.1Å; Y276-C434 PolarHBondContact OH-SG 3.04Å; Y276-W435 VanDerWaalsContact CD2-O 3.27Å; Y276-W435 WeakPolarHBondContact CD2-O 3.31Å; Y276-I436 HydrophobicContact CD2-CG2 4.02Å
277Y98.8Very high95.3Very high42 Ų4252.1 Ų52.117%0.16526%0.259CS..EExtended strand (participates in β ladder)trans-135.8144.5-176-70.1-95.6000112.2V275 N281 R282 W435 E437V275-Y277 HydrophobicContact CB-CE2 3.8Å; V275-Y277 HydrophobicContact CG1-CD2 4.2Å; V275-Y277 HydrophobicContact CG1-CE2 3.44Å; V275-Y277 VanDerWaalsContact CG1-CE2 3.44Å; Y277-N281 CarbonylContact C-O 3.59Å; Y277-N281 VanDerWaalsContact CA-O 3.24Å; Y277-N281 WeakPolarHBondContact CA-O 3.37Å; Y277-R282 HydrophobicContact CD1-CB 4.06Å; Y277-R282 HydrophobicContact CE1-CB 3.69Å; Y277-R282 HydrophobicContact CE1-CG 4.33Å; Y277-W435 VanDerWaalsContact CB-NE1 3.33Å; Y277-W435 HydrophobicContact CD1-CH2 4.33Å; Y277-W435 AromaticContact CD1-CZ2 3.86Å; Y277-W435 HydrophobicContact CD1-CZ2 3.86Å; Y277-W435 HydrophobicContact CD2-CD2 4.35Å; Y277-W435 HydrophobicContact CD2-CE3 4.29Å; Y277-W435 AromaticContact CD2-CH2 3.85Å; Y277-W435 HydrophobicContact CD2-CH2 3.85Å; Y277-W435 AromaticContact CD2-CZ2 3.92Å; Y277-W435 HydrophobicContact CD2-CZ2 3.92Å; Y277-W435 HydrophobicContact CD2-CZ3 4.06Å; Y277-W435 HydrophobicContact CE1-CZ2 4.47Å; Y277-W435 HydrophobicContact CE2-CH2 4.14Å; Y277-W435 HydrophobicContact CE2-CZ3 4.42Å; Y277-W435 HydrophobicContact CG-CD2 4.31Å; Y277-W435 AromaticContact CG-CE2 3.76Å; Y277-W435 AromaticContact CG-CH2 3.98Å; Y277-W435 HydrophobicContact CG-CH2 3.98Å; Y277-W435 AromaticContact CG-CZ2 3.57Å; Y277-W435 HydrophobicContact CG-CZ2 3.57Å; Y277-W435 PolarHBondContact N-O 2.84Å; Y277-W435 PolarHBondContact O-N 2.85Å; Y277-E437 HydrophobicContact CD2-CB 4.49Å; Y277-E437 HydrophobicContact CE2-CB 3.99Å
278E98.6Very high95.7Very high0 Ų051.3 Ų51.30%025%0.254CS..EExtended strand (participates in β ladder)trans-121.8109.2169.9-66-176.2177.100108.7Y276 N280 N281 V283 N316 R319 I323 R327 P433Y276-E278 HydrophobicContact CE1-CG 3.64Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.38Å; Y276-E278 VanDerWaalsContact CZ-OE1 3.31Å; Y276-E278 VanDerWaalsContact OH-CG 3.23Å; Y276-E278 WeakPolarHBondContact OH-CG 3.47Å; Y276-E278 PolarHBondContact OH-OE1 2.8Å; E278-N280 PolarHBondContact O-N 2.81Å; E278-N281 PolarHBondContact N-O 2.88Å; E278-N281 WeakPolarHBondContact O-CB 3.37Å; E278-N281 PolarHBondContact O-N 2.82Å; E278-N281 PolarHBondContact O-ND2 2.85Å; E278-V283 HydrophobicContact CB-CG2 3.94Å; E278-V283 HydrophobicContact CG-CB 4.44Å; E278-V283 HydrophobicContact CG-CG2 3.92Å; E278-N316 WeakPolarHBondContact OE2-CB 3.31Å; E278-N316 PolarHBondContact OE2-ND2 3.12Å; E278-R319 VanDerWaalsContact CD-NH2 3.35Å; E278-R319 IonicContact OE1-CZ 2.74Å; E278-R319 IonicContact OE1-NE 3.32Å; E278-R319 PolarHBondContact OE1-NE 2.73Å; E278-R319 IonicContact OE1-NH2 3.11Å; E278-R319 PolarHBondContact OE1-NH2 2.75Å; E278-R319 IonicContact OE2-CZ 2.74Å; E278-R319 IonicContact OE2-NE 2.7Å; E278-R319 PolarHBondContact OE2-NE 2.8Å; E278-R319 IonicContact OE2-NH2 3.43Å; E278-R319 PolarHBondContact OE2-NH2 3.37Å; E278-I323 HydrophobicContact CB-CD1 4.24Å; E278-I323 HydrophobicContact CB-CG2 4.16Å; E278-I323 VanDerWaalsContact CD-CG2 3.46Å; E278-I323 HydrophobicContact CG-CG2 3.85Å; E278-I323 WeakPolarHBondContact OE2-CG2 3.38Å; E278-R327 WeakPolarHBondContact OE1-CD 3.43Å; E278-R327 IonicContact OE1-CZ 2.72Å; E278-R327 IonicContact OE1-NE 3.18Å; E278-R327 IonicContact OE1-NH1 3.22Å; E278-R327 PolarHBondContact OE1-NH1 3.11Å; E278-R327 VanDerWaalsContact OE1-NH1 3.14Å; E278-P433 WeakPolarHBondContact CA-O 3.39Å
279L98.1Very high96Very high51 Ų5149.7 Ų49.727%0.26724%0.244SC..THydrogen-bonded Turntrans54.1-119.9-163.1-58.8169.7000111.1I323 T430 T432 W435L279-I323 HydrophobicContact CD1-CD1 4.07Å; L279-I323 HydrophobicContact CG-CD1 4.18Å; L279-T430 CarbonylContact C-O 3.59Å; L279-T430 WeakPolarHBondContact CA-O 3.44Å; L279-T430 WeakPolarHBondContact CB-O 3.32Å; L279-T432 WeakPolarHBondContact CA-O 3.44Å; L279-T432 PolarHBondContact N-O 3.33Å; L279-W435 PolarHBondContact O-NE1 3.25Å
280N97.2Very high96Very high117 Ų11743.8 Ų43.863%0.62623%0.226SC*.THydrogen-bonded Turntrans-90.9-0.8174.964.4-28.3000114.2E278 T430E278-N280 PolarHBondContact O-N 2.81Å; N280-T430 HydrophobicContact CB-CG2 4.31Å
281N97.6Very high96Very high53 Ų5341.4 Ų41.428%0.28322%0.215SC..EExtended strand (participates in β ladder)trans-93.3128-175.9-59.2-92.3000110.6Y277 E278Y277-N281 CarbonylContact C-O 3.59Å; Y277-N281 VanDerWaalsContact CA-O 3.24Å; Y277-N281 WeakPolarHBondContact CA-O 3.37Å; E278-N281 PolarHBondContact N-O 2.88Å; E278-N281 WeakPolarHBondContact O-CB 3.37Å; E278-N281 PolarHBondContact O-N 2.82Å; E278-N281 PolarHBondContact O-ND2 2.85Å
282R97.9Very high95.8Very high140 Ų14041.9 Ų41.953%0.52822%0.22SC..EExtended strand (participates in β ladder)trans-69.6131.3166.7-179.2172.7177-102.40.5109.3V275 Y277V275-R282 HydrophobicContact CG1-CG 3.72Å; V275-R282 VanDerWaalsContact CG1-NE 3.31Å; Y277-R282 HydrophobicContact CD1-CB 4.06Å; Y277-R282 HydrophobicContact CE1-CB 3.69Å; Y277-R282 HydrophobicContact CE1-CG 4.33Å
283V97.9Very high95.6Very high6 Ų642.9 Ų42.94%0.03623%0.227CC..  trans-126.8116.6-176.1174.20000109.9Y276 E278 L314 N316Y276-V283 HydrophobicContact CD1-CB 3.72Å; Y276-V283 HydrophobicContact CD1-CG1 3.88Å; Y276-V283 HydrophobicContact CE1-CB 3.92Å; Y276-V283 HydrophobicContact CE1-CG1 3.84Å; Y276-V283 PolarHBondContact O-N 3.02Å; E278-V283 HydrophobicContact CB-CG2 3.94Å; E278-V283 HydrophobicContact CG-CB 4.44Å; E278-V283 HydrophobicContact CG-CG2 3.92Å; V283-L314 HydrophobicContact CG1-CB 4.01Å; V283-N316 HydrophobicContact CG1-CB 4.08Å; V283-N316 HydrophobicContact CG2-CB 3.94Å
284G95Very high95.5Very high35 Ų3542.2 Ų42.236%0.36122%0.222SC..SBendtrans83.3-173.1-177.300000114.5
285E93.6Very high95.4Very high163 Ų16344.5 Ų44.576%0.76223%0.234SC*.PPolyproline II helixtrans-84170.7178-62.1-169.6153.600112.2
286A95.4Very high95.3Very high27 Ų2743.9 Ų43.922%0.22323%0.231CC..PPolyproline II helixtrans-83121.7172.400000109.8I274 V275 H288I274-A286 WeakPolarHBondContact O-CA 3.45Å; V275-A286 HydrophobicContact CG2-CB 3.94Å; A286-H288 PolarHBondContact O-CE1 2.67Å; A286-H288 PolarHBondContact O-ND1 3.14Å
287F95.1Very high95.3Very high29 Ų2943.9 Ų43.913%0.12723%0.231CC..EExtended strand (participates in β ladder)trans-75.4139.4172-179.1-86.1000109.8S273 I274 A289 V294 K306 R308 F309S273-F287 CarbonylContact C-O 3.58Å; S273-F287 WeakPolarHBondContact CA-O 3.38Å; S273-F287 WeakPolarHBondContact CB-O 3.43Å; I274-F287 HydrophobicContact CB-CB 4.39Å; I274-F287 HydrophobicContact CD1-CD1 4.22Å; I274-F287 PolarHBondContact N-O 3.23Å; I274-F287 PolarHBondContact O-N 3.33Å; F287-A289 HydrophobicContact CE1-CB 4.35Å; F287-V294 HydrophobicContact CD1-CG1 4.26Å; F287-V294 HydrophobicContact CE1-CB 4.42Å; F287-V294 HydrophobicContact CE1-CG1 3.48Å; F287-V294 VanDerWaalsContact CE1-CG1 3.48Å; F287-V294 HydrophobicContact CE1-CG2 3.98Å; F287-V294 HydrophobicContact CZ-CG1 3.92Å; F287-K306 WeakPolarHBondContact CZ-O 3.43Å; F287-R308 WeakPolarHBondContact CE2-O 3.49Å; F287-F309 HydrophobicContact CB-CB 4.24Å; F287-F309 HydrophobicContact CB-CD1 3.6Å; F287-F309 HydrophobicContact CB-CD2 3.98Å; F287-F309 HydrophobicContact CB-CE1 3.81Å; F287-F309 HydrophobicContact CB-CE2 4.18Å; F287-F309 HydrophobicContact CB-CG 3.69Å; F287-F309 HydrophobicContact CB-CZ 4.1Å; F287-F309 HydrophobicContact CD1-CB 4.32Å; F287-F309 HydrophobicContact CD2-CB 3.63Å; F287-F309 HydrophobicContact CD2-CD2 4.05Å; F287-F309 AromaticContact CD2-CG 3.86Å; F287-F309 HydrophobicContact CD2-CG 3.86Å; F287-F309 HydrophobicContact CE2-CB 3.99Å; F287-F309 HydrophobicContact CG-CB 3.81Å; F287-F309 HydrophobicContact CG-CD1 4.07Å; F287-F309 HydrophobicContact CG-CD2 4.29Å; F287-F309 AromaticContact CG-CG 3.82Å; F287-F309 HydrophobicContact CG-CG 3.82Å; F287-F309 HydrophobicContact CZ-CB 4.48Å
288H94.9Very high95.2Very high95 Ų9542.8 Ų42.844%0.4423%0.232SC..EExtended strand (participates in β ladder)trans-122.1111.9-175.1-71.180000111.1A286 S290A286-H288 PolarHBondContact O-CE1 2.67Å; A286-H288 PolarHBondContact O-ND1 3.14Å; H288-S290 PolarHBondContact O-N 3.08Å; H288-S290 VanDerWaalsContact O-N 3.16Å
289A93.1Very high95.1Very high0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-81.796-170.200000112.4H270 W271 C272 F287 V294H270-A289 CarbonylContact C-O 3.59Å; H270-A289 VanDerWaalsContact CA-O 3.24Å; H270-A289 WeakPolarHBondContact CA-O 3.42Å; W271-A289 HydrophobicContact CZ2-CB 4.34Å; W271-A289 PolarHBondContact N-O 2.97Å; W271-A289 VanDerWaalsContact N-O 3.1Å; C272-A289 WeakPolarHBondContact O-CB 3.47Å; C272-A289 PolarHBondContact O-N 3.13Å; C272-A289 VanDerWaalsContact SG-CB 3.54Å; F287-A289 HydrophobicContact CE1-CB 4.35Å; A289-V294 HydrophobicContact CB-CG2 3.7Å
290S87.3Confident94.8Very high57 Ų5749.5 Ų49.540%0.39927%0.268SS..  trans-84.7-18.6167.157.80000113.6H270 H288H270-S290 PolarHBondContact ND1-N 2.73Å; H288-S290 PolarHBondContact O-N 3.08Å; H288-S290 VanDerWaalsContact O-N 3.16Å
291S90.2Very high94.2Very high2 Ų246 Ų461%0.01425%0.249CC..SBendtrans-92.3139.8173.8169.70000110.1Q98 W271 S293 N307Q98-S291 VanDerWaalsContact OE1-CA 3.26Å; Q98-S291 VanDerWaalsContact OE1-CB 3.23Å; Q98-S291 PolarHBondContact OE1-OG 3.06Å; W271-S291 PolarHBondContact NE1-O 3.11Å; S291-S293 PolarHBondContact O-N 3.37Å; S291-S293 VanDerWaalsContact O-N 3.08Å; S291-S293 PolarHBondContact OG-N 3.31Å; S291-S293 VanDerWaalsContact OG-N 3.17Å; S291-S293 PolarHBondContact OG-O 2.86Å; S291-N307 WeakPolarHBondContact CB-ND2 3Å; S291-N307 VanDerWaalsContact CB-OD1 3.3Å; S291-N307 WeakPolarHBondContact CB-OD1 3.34Å; S291-N307 PolarHBondContact OG-ND2 2.75Å; S291-N307 VanDerWaalsContact OG-ND2 3.12Å
292T90.7Very high92.8Very high35 Ų3549.1 Ų49.122%0.21527%0.272CS..SBendtrans-66.3-3173.551.70000113.6Q98 Y337 Y338Q98-T292 VanDerWaalsContact OE1-N 3.17Å; Q98-T292 PolarHBondContact OE1-OG1 3.03Å; T292-Y337 CarbonylContact O-C 3.57Å; T292-Y337 VanDerWaalsContact O-CA 3.24Å; T292-Y337 WeakPolarHBondContact O-CA 3.34Å; T292-Y338 HydrophobicContact CG2-CD1 4.41Å; T292-Y338 PolarHBondContact O-N 3.31Å
293S93Very high91.6Very high21 Ų2145.6 Ų45.615%0.14727%0.269CS..EExtended strand (participates in β ladder)trans-143.498.5-173.1170.50000110.8S291 H335S291-S293 PolarHBondContact O-N 3.37Å; S291-S293 VanDerWaalsContact O-N 3.08Å; S291-S293 PolarHBondContact OG-N 3.31Å; S291-S293 VanDerWaalsContact OG-N 3.17Å; S291-S293 PolarHBondContact OG-O 2.86Å; S293-H335 PolarHBondContact OG-NE2 3.29Å
294V95Very high90Very high0 Ų052.6 Ų52.60%031%0.306CS..EExtended strand (participates in β ladder)trans-113.4129.5-173.9176.30000111.6I274 F287 A289 V296 N307 L336I274-V294 HydrophobicContact CD1-CG1 4.16Å; F287-V294 HydrophobicContact CD1-CG1 4.26Å; F287-V294 HydrophobicContact CE1-CB 4.42Å; F287-V294 HydrophobicContact CE1-CG1 3.48Å; F287-V294 VanDerWaalsContact CE1-CG1 3.48Å; F287-V294 HydrophobicContact CE1-CG2 3.98Å; F287-V294 HydrophobicContact CZ-CG1 3.92Å; A289-V294 HydrophobicContact CB-CG2 3.7Å; V294-V296 HydrophobicContact CG1-CG2 4.16Å; V294-N307 WeakPolarHBondContact CA-O 3.46Å; V294-L336 PolarHBondContact N-O 2.93Å; V294-L336 PolarHBondContact O-N 2.83Å
295L96.1Very high89.2Confident48 Ų4854 Ų5425%0.25131%0.305SS..EExtended strand (participates in β ladder)trans-96.2123.6171-177.565.3000110.2D297 N307 R308 F309 K332 H335 L348L295-D297 WeakPolarHBondContact CD2-OD2 3.34Å; L295-D297 HydrophobicContact CG-CB 4.23Å; L295-N307 PolarHBondContact N-O 3.39Å; L295-R308 HydrophobicContact CB-CG 4.43Å; L295-R308 HydrophobicContact CD2-CG 4.45Å; L295-R308 CarbonylContact O-C 3.49Å; L295-R308 VanDerWaalsContact O-CA 3.29Å; L295-R308 WeakPolarHBondContact O-CA 3.25Å; L295-F309 PolarHBondContact O-N 3.2Å; L295-K332 WeakPolarHBondContact CD1-O 3.49Å; L295-H335 HydrophobicContact CD1-CB 4.41Å; L295-L348 HydrophobicContact CD1-CD1 3.83Å
296V97.8Very high88.6Confident0 Ų052.7 Ų52.70%030%0.297CS..EExtended strand (participates in β ladder)trans-111.8113.3172.1-173.30000108.1I274 V294 F309 L311 G333 V334 L336 F416 I436I274-V296 HydrophobicContact CD1-CG2 3.76Å; V294-V296 HydrophobicContact CG1-CG2 4.16Å; V296-F309 WeakPolarHBondContact CA-O 3.08Å; V296-F309 HydrophobicContact CB-CB 4.43Å; V296-F309 HydrophobicContact CG1-CB 4.19Å; V296-F309 HydrophobicContact CG1-CD1 3.94Å; V296-F309 HydrophobicContact CG1-CG 4.34Å; V296-F309 HydrophobicContact CG2-CB 4.13Å; V296-F309 HydrophobicContact CG2-CD1 4.41Å; V296-L311 HydrophobicContact CG1-CD1 3.79Å; V296-L311 HydrophobicContact CG1-CD2 4.01Å; V296-L311 HydrophobicContact CG1-CG 3.86Å; V296-G333 CarbonylContact O-C 3.59Å; V296-G333 VanDerWaalsContact O-CA 3.31Å; V296-G333 WeakPolarHBondContact O-CA 3.32Å; V296-V334 HydrophobicContact CB-CG1 3.87Å; V296-V334 HydrophobicContact CG2-CG1 4.39Å; V296-V334 PolarHBondContact N-O 2.95Å; V296-V334 PolarHBondContact O-N 3.38Å; V296-L336 HydrophobicContact CG2-CD1 4.14Å; V296-F416 HydrophobicContact CG1-CZ 4.17Å; V296-I436 HydrophobicContact CG1-CD1 4.39Å
297D97.6Very high88.2Confident1 Ų154.4 Ų54.41%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-139169.6-167.177.645.4000114.7L295 F299 R308 F309 L311 K332L295-D297 WeakPolarHBondContact CD2-OD2 3.34Å; L295-D297 HydrophobicContact CG-CB 4.23Å; D297-F299 HydrophobicContact CB-CD2 4.16Å; D297-F299 WeakPolarHBondContact OD1-CA 3.45Å; D297-F299 VanDerWaalsContact OD1-CB 3.29Å; D297-F299 WeakPolarHBondContact OD1-CB 3.44Å; D297-F299 WeakPolarHBondContact OD1-CD2 3.23Å; D297-F299 PolarHBondContact OD1-N 2.83Å; D297-R308 IonicContact OD1-NE 3.92Å; D297-R308 IonicContact OD1-NH2 3.48Å; D297-R308 IonicContact OD2-CZ 3.64Å; D297-R308 IonicContact OD2-NE 3.61Å; D297-R308 PolarHBondContact OD2-NE 2.67Å; D297-R308 IonicContact OD2-NH2 2.74Å; D297-R308 PolarHBondContact OD2-NH2 2.83Å; D297-F309 PolarHBondContact N-O 2.84Å; D297-L311 VanDerWaalsContact O-CB 3.26Å; D297-L311 WeakPolarHBondContact O-CB 3.45Å; D297-L311 WeakPolarHBondContact O-CG 3.42Å; D297-L311 PolarHBondContact O-N 3Å; D297-K332 WeakPolarHBondContact CB-O 3.38Å
298G97.1Very high88.1Confident19 Ų1955.8 Ų55.820%0.19631%0.307CS..SBendtrans-88.15.9-176.200000115.1G312 G331G298-G312 VanDerWaalsContact O-CA 3.32Å; G298-G312 WeakPolarHBondContact O-CA 3.33Å; G298-G331 PolarHBondContact N-O 2.88Å
299F95.7Very high88.1Confident97 Ų9752 Ų5243%0.42529%0.289SS..  trans-89.5178.9-174.8-58.4-65.8000112.5D297 C310 G312 G331 K332D297-F299 HydrophobicContact CB-CD2 4.16Å; D297-F299 WeakPolarHBondContact OD1-CA 3.45Å; D297-F299 VanDerWaalsContact OD1-CB 3.29Å; D297-F299 WeakPolarHBondContact OD1-CB 3.44Å; D297-F299 WeakPolarHBondContact OD1-CD2 3.23Å; D297-F299 PolarHBondContact OD1-N 2.83Å; F299-C310 WeakPolarHBondContact O-CB 3.32Å; F299-G312 WeakPolarHBondContact O-CA 3.2Å; F299-G312 PolarHBondContact O-N 2.86Å; F299-G331 WeakPolarHBondContact CE2-O 3.17Å; F299-K332 HydrophobicContact CE2-CB 4.5Å; F299-K332 HydrophobicContact CE2-CG 4.36Å
300T92.8Very high88.3Confident95 Ų9552.6 Ų52.658%0.58329%0.293SS*.  trans-12231.5-169.662.10000112.5P302T300-P302 VanDerWaalsContact O-CD 3.25Å; T300-P302 WeakPolarHBondContact O-CD 3.32Å
301D84.2Confident88.7Confident43 Ų4349.9 Ų49.923%0.2327%0.274CS..  trans-65.9115.1177.7172.64.4000109.5S303 R308 C310 L313D301-S303 VanDerWaalsContact C-N 3.33Å; D301-S303 VanDerWaalsContact CG-OG 3.32Å; D301-S303 VanDerWaalsContact OD1-CB 3.29Å; D301-S303 WeakPolarHBondContact OD1-CB 3.24Å; D301-S303 PolarHBondContact OD1-N 2.89Å; D301-S303 PolarHBondContact OD1-OG 2.96Å; D301-S303 PolarHBondContact OD2-OG 2.84Å; D301-R308 IonicContact OD2-CZ 3.86Å; D301-R308 IonicContact OD2-NH1 3.38Å; D301-R308 PolarHBondContact OD2-NH1 2.76Å; D301-C310 PolarHBondContact O-SG 3.02Å; D301-L313 WeakPolarHBondContact O-CD2 3.42Å
302P68.3Low88.9Confident119 Ų11950.8 Ų50.877%0.77328%0.284SS*.  trans-90.32.7-174.238.6-35.8000112.4T300T300-P302 VanDerWaalsContact O-CD 3.25Å; T300-P302 WeakPolarHBondContact O-CD 3.32Å
303S71.9Confident89Confident65 Ų6553.2 Ų53.246%0.45530%0.295SS..SBendtrans-66140.9173.767.30000109.9D301 N305D301-S303 VanDerWaalsContact C-N 3.33Å; D301-S303 VanDerWaalsContact CG-OG 3.32Å; D301-S303 VanDerWaalsContact OD1-CB 3.29Å; D301-S303 WeakPolarHBondContact OD1-CB 3.24Å; D301-S303 PolarHBondContact OD1-N 2.89Å; D301-S303 PolarHBondContact OD1-OG 2.96Å; D301-S303 PolarHBondContact OD2-OG 2.84Å; S303-N305 PolarHBondContact O-N 2.86Å
304N65.5Low89.1Confident153 Ų15353.3 Ų53.382%0.81829%0.293SS*.  trans-76.159.5178.3-168.1-1.4000110.9K306N304-K306 PolarHBondContact O-N 2.95Å
305N77.9Confident89.1Confident64 Ų6458.5 Ų58.534%0.34233%0.33SS..  trans-81.299.3-177.7-179.4-6.5000109.1S303 N307 R308S303-N305 PolarHBondContact O-N 2.86Å; N305-N307 PolarHBondContact O-N 3.24Å; N305-N307 PolarHBondContact OD1-N 3.01Å; N305-R308 HydrophobicContact CB-CB 4.07Å; N305-R308 PolarHBondContact O-N 2.87Å
306K80.3Confident89.1Confident136 Ų13657.7 Ų57.759%0.59133%0.326SS*.THydrogen-bonded Turntrans-60.1-2.8-178.6-59-178.3-178.5178.20115.1F287 N304F287-K306 WeakPolarHBondContact CZ-O 3.43Å; N304-K306 PolarHBondContact O-N 2.95Å
307N88.1Confident89Confident64 Ų6464.5 Ų64.534%0.34237%0.367SS..THydrogen-bonded Turntrans-113.16.2179.4-53.219.8000111.6S291 V294 L295 N305S291-N307 WeakPolarHBondContact CB-ND2 3Å; S291-N307 VanDerWaalsContact CB-OD1 3.3Å; S291-N307 WeakPolarHBondContact CB-OD1 3.34Å; S291-N307 PolarHBondContact OG-ND2 2.75Å; S291-N307 VanDerWaalsContact OG-ND2 3.12Å; V294-N307 WeakPolarHBondContact CA-O 3.46Å; L295-N307 PolarHBondContact N-O 3.39Å; N305-N307 PolarHBondContact O-N 3.24Å; N305-N307 PolarHBondContact OD1-N 3.01Å
308R93.4Very high88.8Confident57 Ų5769.5 Ų69.522%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-140.2119.9-173.9-169.8-176.9-171.1-177.41.1112.4F287 L295 D297 D301 N305F287-R308 WeakPolarHBondContact CE2-O 3.49Å; L295-R308 HydrophobicContact CB-CG 4.43Å; L295-R308 HydrophobicContact CD2-CG 4.45Å; L295-R308 CarbonylContact O-C 3.49Å; L295-R308 VanDerWaalsContact O-CA 3.29Å; L295-R308 WeakPolarHBondContact O-CA 3.25Å; D297-R308 IonicContact OD1-NE 3.92Å; D297-R308 IonicContact OD1-NH2 3.48Å; D297-R308 IonicContact OD2-CZ 3.64Å; D297-R308 IonicContact OD2-NE 3.61Å; D297-R308 PolarHBondContact OD2-NE 2.67Å; D297-R308 IonicContact OD2-NH2 2.74Å; D297-R308 PolarHBondContact OD2-NH2 2.83Å; D301-R308 IonicContact OD2-CZ 3.86Å; D301-R308 IonicContact OD2-NH1 3.38Å; D301-R308 PolarHBondContact OD2-NH1 2.76Å; N305-R308 HydrophobicContact CB-CB 4.07Å; N305-R308 PolarHBondContact O-N 2.87Å
309F95.1Very high88.8Confident17 Ų1771.1 Ų71.18%0.07539%0.394CS..EExtended strand (participates in β ladder)trans-102.596174-170.5-165.1000110.3I274 F287 L295 V296 D297 L311 L314I274-F309 HydrophobicContact CB-CD1 4.22Å; I274-F309 HydrophobicContact CB-CE1 4.27Å; I274-F309 HydrophobicContact CG2-CD1 4Å; I274-F309 HydrophobicContact CG2-CE1 3.98Å; F287-F309 HydrophobicContact CB-CB 4.24Å; F287-F309 HydrophobicContact CB-CD1 3.6Å; F287-F309 HydrophobicContact CB-CD2 3.98Å; F287-F309 HydrophobicContact CB-CE1 3.81Å; F287-F309 HydrophobicContact CB-CE2 4.18Å; F287-F309 HydrophobicContact CB-CG 3.69Å; F287-F309 HydrophobicContact CB-CZ 4.1Å; F287-F309 HydrophobicContact CD1-CB 4.32Å; F287-F309 HydrophobicContact CD2-CB 3.63Å; F287-F309 HydrophobicContact CD2-CD2 4.05Å; F287-F309 AromaticContact CD2-CG 3.86Å; F287-F309 HydrophobicContact CD2-CG 3.86Å; F287-F309 HydrophobicContact CE2-CB 3.99Å; F287-F309 HydrophobicContact CG-CB 3.81Å; F287-F309 HydrophobicContact CG-CD1 4.07Å; F287-F309 HydrophobicContact CG-CD2 4.29Å; F287-F309 AromaticContact CG-CG 3.82Å; F287-F309 HydrophobicContact CG-CG 3.82Å; F287-F309 HydrophobicContact CZ-CB 4.48Å; L295-F309 PolarHBondContact O-N 3.2Å; V296-F309 WeakPolarHBondContact CA-O 3.08Å; V296-F309 HydrophobicContact CB-CB 4.43Å; V296-F309 HydrophobicContact CG1-CB 4.19Å; V296-F309 HydrophobicContact CG1-CD1 3.94Å; V296-F309 HydrophobicContact CG1-CG 4.34Å; V296-F309 HydrophobicContact CG2-CB 4.13Å; V296-F309 HydrophobicContact CG2-CD1 4.41Å; D297-F309 PolarHBondContact N-O 2.84Å; F309-L311 HydrophobicContact CD1-CD2 3.92Å; F309-L311 HydrophobicContact CD2-CD2 4.15Å; F309-L311 HydrophobicContact CE1-CD2 3.76Å; F309-L311 HydrophobicContact CE2-CD2 4Å; F309-L311 HydrophobicContact CG-CD2 4.12Å; F309-L311 HydrophobicContact CZ-CD2 3.81Å; F309-L311 PolarHBondContact O-N 3.11Å; F309-L314 HydrophobicContact CE2-CD1 4.07Å; F309-L314 HydrophobicContact CZ-CD1 4.28Å
310C95.6Very high88.9Confident11 Ų1169.6 Ų69.67%0.07439%0.39CS..EExtended strand (participates in β ladder)trans-77.899.2178.8-62.40000110.8F299 D301 G312 L313F299-C310 WeakPolarHBondContact O-CB 3.32Å; D301-C310 PolarHBondContact O-SG 3.02Å; C310-G312 VanDerWaalsContact C-N 3.28Å; C310-G312 PolarHBondContact O-N 3.11Å; C310-L313 HydrophobicContact CB-CD2 3.67Å; C310-L313 HydrophobicContact CB-CG 4.16Å
311L96.6Very high89.2Confident0 Ų068.7 Ų68.70%039%0.388CS..SBendtrans-71.9-23.8177.9-55.5-178.4000112.4Y276 V296 D297 F309 L313 L314 R327 I330 F416Y276-L311 HydrophobicContact CD1-CD2 4.33Å; Y276-L311 HydrophobicContact CD2-CD1 3.74Å; Y276-L311 HydrophobicContact CD2-CD2 3.8Å; Y276-L311 HydrophobicContact CD2-CG 4.28Å; Y276-L311 HydrophobicContact CE2-CD1 3.83Å; Y276-L311 HydrophobicContact CE2-CD2 4.46Å; Y276-L311 HydrophobicContact CG-CD1 4.5Å; Y276-L311 HydrophobicContact CG-CD2 3.72Å; V296-L311 HydrophobicContact CG1-CD1 3.79Å; V296-L311 HydrophobicContact CG1-CD2 4.01Å; V296-L311 HydrophobicContact CG1-CG 3.86Å; D297-L311 VanDerWaalsContact O-CB 3.26Å; D297-L311 WeakPolarHBondContact O-CB 3.45Å; D297-L311 WeakPolarHBondContact O-CG 3.42Å; D297-L311 PolarHBondContact O-N 3Å; F309-L311 HydrophobicContact CD1-CD2 3.92Å; F309-L311 HydrophobicContact CD2-CD2 4.15Å; F309-L311 HydrophobicContact CE1-CD2 3.76Å; F309-L311 HydrophobicContact CE2-CD2 4Å; F309-L311 HydrophobicContact CG-CD2 4.12Å; F309-L311 HydrophobicContact CZ-CD2 3.81Å; F309-L311 PolarHBondContact O-N 3.11Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 2.9Å; L311-L314 HydrophobicContact CD2-CD1 3.99Å; L311-L314 WeakPolarHBondContact O-CB 3.49Å; L311-L314 PolarHBondContact O-N 3.03Å; L311-R327 VanDerWaalsContact O-CZ 3.3Å; L311-R327 PolarHBondContact O-NH1 3.34Å; L311-R327 PolarHBondContact O-NH2 3.49Å; L311-I330 HydrophobicContact CD1-CD1 4.14Å; L311-F416 HydrophobicContact CD1-CD2 4.46Å; L311-F416 HydrophobicContact CD1-CE2 3.71Å; L311-F416 HydrophobicContact CD1-CZ 4Å
312G95.3Very high89.8Confident21 Ų2169.8 Ų69.822%0.21640%0.396CS..THydrogen-bonded Turntrans-63.9-33.2-174.400000114.3G298 F299 C310 L314 R327G298-G312 VanDerWaalsContact O-CA 3.32Å; G298-G312 WeakPolarHBondContact O-CA 3.33Å; F299-G312 WeakPolarHBondContact O-CA 3.2Å; F299-G312 PolarHBondContact O-N 2.86Å; C310-G312 VanDerWaalsContact C-N 3.28Å; C310-G312 PolarHBondContact O-N 3.11Å; G312-L314 VanDerWaalsContact C-N 3.33Å; G312-R327 VanDerWaalsContact C-NH2 3.28Å; G312-R327 PolarHBondContact O-NH2 2.99Å
313L92.8Very high91.3Very high86 Ų8664.2 Ų64.245%0.4536%0.36SS..THydrogen-bonded Turntrans-80.7-8.9178.764.885.3000114.2D301 C310 L311 S315D301-L313 WeakPolarHBondContact O-CD2 3.42Å; C310-L313 HydrophobicContact CB-CD2 3.67Å; C310-L313 HydrophobicContact CB-CG 4.16Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 2.9Å; L313-S315 PolarHBondContact O-N 2.8Å
314L94.8Very high92.5Very high23 Ų2365.5 Ų65.512%0.1236%0.359CS..  trans-74.6125.1-179-57.2176.8000111.6Y276 V283 F309 L311 G312 R319 R327Y276-L314 HydrophobicContact CD1-CD1 3.54Å; Y276-L314 HydrophobicContact CE1-CD1 4.2Å; Y276-L314 HydrophobicContact CG-CD1 4.16Å; V283-L314 HydrophobicContact CG1-CB 4.01Å; F309-L314 HydrophobicContact CE2-CD1 4.07Å; F309-L314 HydrophobicContact CZ-CD1 4.28Å; L311-L314 HydrophobicContact CD2-CD1 3.99Å; L311-L314 WeakPolarHBondContact O-CB 3.49Å; L311-L314 PolarHBondContact O-N 3.03Å; G312-L314 VanDerWaalsContact C-N 3.33Å; L314-R319 PolarHBondContact O-NH1 3.05Å; L314-R319 VanDerWaalsContact O-NH1 3.09Å; L314-R319 PolarHBondContact O-NH2 2.85Å; L314-R327 PolarHBondContact O-NH2 3.33Å
315S94.4Very high94Very high110 Ų11061.8 Ų61.877%0.76934%0.339SS*.  trans-88.7144.8176.2-67.90000112.3L313L313-S315 PolarHBondContact O-N 2.8Å
316N95.4Very high95Very high30 Ų3058.9 Ų58.916%0.1632%0.324CS..  trans-147.8127.1171.417515.5000108.2E278 V283 N318 R319E278-N316 WeakPolarHBondContact OE2-CB 3.31Å; E278-N316 PolarHBondContact OE2-ND2 3.12Å; V283-N316 HydrophobicContact CG1-CB 4.08Å; V283-N316 HydrophobicContact CG2-CB 3.94Å; N316-N318 PolarHBondContact OD1-N 3.29Å; N316-R319 HydrophobicContact CB-CB 4.21Å; N316-R319 WeakPolarHBondContact O-CB 3.29Å
317V95.9Very high95.8Very high144 Ų14453.6 Ų53.687%0.87330%0.3SS*.THydrogen-bonded Turntrans-79-23.6179.1-63.70000112.9R319V317-R319 PolarHBondContact O-N 2.86Å
318N94.6Very high96.3Very high106 Ų10658 Ų5857%0.56731%0.312SS*.THydrogen-bonded Turntrans-8715.8178.1-62.6-19.9000112.3N316N316-N318 PolarHBondContact OD1-N 3.29Å
319R97.3Very high96.5Very high53 Ų5360.2 Ų60.220%0.232%0.324CS..  trans-79.4121.8-173.7-174.7174.2-70.4152.4-3.7110.9E278 L314 N316 V317 I323 E324 R327E278-R319 VanDerWaalsContact CD-NH2 3.35Å; E278-R319 IonicContact OE1-CZ 2.74Å; E278-R319 IonicContact OE1-NE 3.32Å; E278-R319 PolarHBondContact OE1-NE 2.73Å; E278-R319 IonicContact OE1-NH2 3.11Å; E278-R319 PolarHBondContact OE1-NH2 2.75Å; E278-R319 IonicContact OE2-CZ 2.74Å; E278-R319 IonicContact OE2-NE 2.7Å; E278-R319 PolarHBondContact OE2-NE 2.8Å; E278-R319 IonicContact OE2-NH2 3.43Å; E278-R319 PolarHBondContact OE2-NH2 3.37Å; L314-R319 PolarHBondContact O-NH1 3.05Å; L314-R319 VanDerWaalsContact O-NH1 3.09Å; L314-R319 PolarHBondContact O-NH2 2.85Å; N316-R319 HydrophobicContact CB-CB 4.21Å; N316-R319 WeakPolarHBondContact O-CB 3.29Å; V317-R319 PolarHBondContact O-N 2.86Å; R319-I323 HydrophobicContact CG-CB 3.98Å; R319-I323 HydrophobicContact CG-CG2 3.81Å; R319-E324 HydrophobicContact CG-CG 3.85Å; R319-R327 VanDerWaalsContact NH2-CZ 3.31Å
320N97.5Very high96.6Very high64 Ų6459.4 Ų59.434%0.34232%0.321SS..  trans-98166.5174.769.255.1000112.4T322 I323 E324N320-T322 PolarHBondContact O-N 2.71Å; N320-T322 VanDerWaalsContact O-N 3.15Å; N320-T322 WeakPolarHBondContact OD1-CA 3.35Å; N320-T322 WeakPolarHBondContact OD1-CB 3.4Å; N320-T322 PolarHBondContact OD1-N 2.85Å; N320-I323 WeakPolarHBondContact ND2-CD1 3.49Å; N320-I323 WeakPolarHBondContact O-CA 3.08Å; N320-I323 WeakPolarHBondContact O-CB 3.43Å; N320-I323 PolarHBondContact O-N 3.46Å; N320-I323 PolarHBondContact OD1-N 2.72Å; N320-I323 VanDerWaalsContact OD1-N 3.12Å; N320-E324 PolarHBondContact O-N 3Å
321S97.9Very high96.7Very high76 Ų7659.6 Ų59.653%0.53133%0.325SS..Hα-helixtrans-58-28-177.959.30000114.6N325S321-N325 VanDerWaalsContact O-CB 3.25Å; S321-N325 WeakPolarHBondContact O-CB 3.38Å; S321-N325 PolarHBondContact O-N 3.09Å; S321-N325 PolarHBondContact O-ND2 3.45Å
322T97.8Very high96.6Very high67 Ų6763.6 Ų63.641%0.41134%0.342SS..Hα-helixtrans-71.7-36.9175.4-62.60000111.3N320 T326 P433N320-T322 PolarHBondContact O-N 2.71Å; N320-T322 VanDerWaalsContact O-N 3.15Å; N320-T322 WeakPolarHBondContact OD1-CA 3.35Å; N320-T322 WeakPolarHBondContact OD1-CB 3.4Å; N320-T322 PolarHBondContact OD1-N 2.85Å; T322-T326 WeakPolarHBondContact O-CB 3.46Å; T322-T326 PolarHBondContact O-N 3.21Å; T322-T326 PolarHBondContact O-OG1 2.8Å; T322-P433 HydrophobicContact CG2-CB 4.43Å; T322-P433 HydrophobicContact CG2-CG 3.9Å
323I98.3Very high96.8Very high1 Ų162.6 Ų62.61%0.00533%0.332CS..Hα-helixtrans-67.4-46.5173-60.3162.5000109.8E278 L279 R319 N320 N325 T326 R327 P433E278-I323 HydrophobicContact CB-CD1 4.24Å; E278-I323 HydrophobicContact CB-CG2 4.16Å; E278-I323 VanDerWaalsContact CD-CG2 3.46Å; E278-I323 HydrophobicContact CG-CG2 3.85Å; E278-I323 WeakPolarHBondContact OE2-CG2 3.38Å; L279-I323 HydrophobicContact CD1-CD1 4.07Å; L279-I323 HydrophobicContact CG-CD1 4.18Å; R319-I323 HydrophobicContact CG-CB 3.98Å; R319-I323 HydrophobicContact CG-CG2 3.81Å; N320-I323 WeakPolarHBondContact ND2-CD1 3.49Å; N320-I323 WeakPolarHBondContact O-CA 3.08Å; N320-I323 WeakPolarHBondContact O-CB 3.43Å; N320-I323 PolarHBondContact O-N 3.46Å; N320-I323 PolarHBondContact OD1-N 2.72Å; N320-I323 VanDerWaalsContact OD1-N 3.12Å; I323-N325 PolarHBondContact O-N 3.3Å; I323-T326 PolarHBondContact O-N 3.26Å; I323-T326 VanDerWaalsContact O-N 3.09Å; I323-R327 HydrophobicContact CG2-CG 4.32Å; I323-R327 WeakPolarHBondContact O-CG 3.31Å; I323-R327 PolarHBondContact O-N 2.9Å; I323-P433 HydrophobicContact CB-CB 4.36Å; I323-P433 HydrophobicContact CG1-CB 3.86Å
324E97.5Very high97Very high92 Ų9258.5 Ų58.543%0.4331%0.311SS..Hα-helixtrans-59.6-43.7176-62.7-172.9140.600113.2R319 N320 T326 R327 R328R319-E324 HydrophobicContact CG-CG 3.85Å; N320-E324 PolarHBondContact O-N 3Å; E324-T326 VanDerWaalsContact C-N 3.29Å; E324-T326 PolarHBondContact O-N 3.06Å; E324-R327 PolarHBondContact O-N 3.31Å; E324-R328 PolarHBondContact O-N 3.07Å
325N97.5Very high97.2Very high75 Ų7558.5 Ų58.540%0.40131%0.31SS..Hα-helixtrans-59.6-41173.7-78.8-32.5000111.2S321 I323 R328 H329S321-N325 VanDerWaalsContact O-CB 3.25Å; S321-N325 WeakPolarHBondContact O-CB 3.38Å; S321-N325 PolarHBondContact O-N 3.09Å; S321-N325 PolarHBondContact O-ND2 3.45Å; I323-N325 PolarHBondContact O-N 3.3Å; N325-R328 VanDerWaalsContact OD1-CZ 3.24Å; N325-R328 PolarHBondContact OD1-NH1 3.37Å; N325-R328 PolarHBondContact OD1-NH2 2.94Å; N325-H329 PolarHBondContact O-ND1 3.27Å
326T98.3Very high97.4Very high4 Ų453.2 Ų53.23%0.02527%0.273CS..Hα-helixtrans-69.2-45.6179.5-57.60000111.6T322 I323 E324 R328 H329 I330 V417 P433 C434T322-T326 WeakPolarHBondContact O-CB 3.46Å; T322-T326 PolarHBondContact O-N 3.21Å; T322-T326 PolarHBondContact O-OG1 2.8Å; I323-T326 PolarHBondContact O-N 3.26Å; I323-T326 VanDerWaalsContact O-N 3.09Å; E324-T326 VanDerWaalsContact C-N 3.29Å; E324-T326 PolarHBondContact O-N 3.06Å; T326-R328 VanDerWaalsContact C-N 3.31Å; T326-R328 PolarHBondContact O-N 2.82Å; T326-H329 PolarHBondContact O-N 3.34Å; T326-I330 PolarHBondContact O-N 2.83Å; T326-V417 HydrophobicContact CG2-CB 4.08Å; T326-V417 HydrophobicContact CG2-CG2 4.08Å; T326-P433 HydrophobicContact CG2-CB 4.1Å; T326-P433 HydrophobicContact CG2-CG 4.38Å; T326-P433 WeakPolarHBondContact OG1-CB 3.4Å; T326-P433 WeakPolarHBondContact OG1-CG 3.36Å; T326-C434 HydrophobicContact CG2-CB 3.86Å
327R98.3Very high97.4Very high25 Ų2552.6 Ų52.69%0.09427%0.269CS..Hα-helixtrans-54.5-43.5177.2-71.9170.763.473.2-1.9112.6Y276 E278 L311 G312 L314 R319 I323 E324 H329 I330 C434Y276-R327 PolarHBondContact OH-NH1 3.19Å; E278-R327 WeakPolarHBondContact OE1-CD 3.43Å; E278-R327 IonicContact OE1-CZ 2.72Å; E278-R327 IonicContact OE1-NE 3.18Å; E278-R327 IonicContact OE1-NH1 3.22Å; E278-R327 PolarHBondContact OE1-NH1 3.11Å; E278-R327 VanDerWaalsContact OE1-NH1 3.14Å; L311-R327 VanDerWaalsContact O-CZ 3.3Å; L311-R327 PolarHBondContact O-NH1 3.34Å; L311-R327 PolarHBondContact O-NH2 3.49Å; G312-R327 VanDerWaalsContact C-NH2 3.28Å; G312-R327 PolarHBondContact O-NH2 2.99Å; L314-R327 PolarHBondContact O-NH2 3.33Å; R319-R327 VanDerWaalsContact NH2-CZ 3.31Å; I323-R327 HydrophobicContact CG2-CG 4.32Å; I323-R327 WeakPolarHBondContact O-CG 3.31Å; I323-R327 PolarHBondContact O-N 2.9Å; E324-R327 PolarHBondContact O-N 3.31Å; R327-H329 PolarHBondContact O-N 2.9Å; R327-I330 WeakPolarHBondContact O-CB 3.29Å; R327-I330 PolarHBondContact O-N 3.33Å; R327-I330 VanDerWaalsContact O-N 3.12Å; R327-C434 VanDerWaalsContact CG-SG 3.56Å
328R97.6Very high97.3Very high155 Ų15547 Ų4759%0.58523%0.232SC*.Hα-helixtrans-60.4-25.9176.3-80.5-177.9-95.4108.6-1.3113.8E324 N325 T326E324-R328 PolarHBondContact O-N 3.07Å; N325-R328 VanDerWaalsContact OD1-CZ 3.24Å; N325-R328 PolarHBondContact OD1-NH1 3.37Å; N325-R328 PolarHBondContact OD1-NH2 2.94Å; T326-R328 VanDerWaalsContact C-N 3.31Å; T326-R328 PolarHBondContact O-N 2.82Å
329H97.8Very high97.2Very high104 Ų10442.7 Ų42.748%0.48121%0.209SC..Hα-helixtrans-94.6-3.6178.5-68.485.1000113.9N325 T326 R327 G331 S349 V417N325-H329 PolarHBondContact O-ND1 3.27Å; T326-H329 PolarHBondContact O-N 3.34Å; R327-H329 PolarHBondContact O-N 2.9Å; H329-G331 VanDerWaalsContact C-N 3.33Å; H329-S349 PolarHBondContact O-OG 3.24Å; H329-S349 VanDerWaalsContact O-OG 3.07Å; H329-V417 HydrophobicContact CB-CG1 4.05Å; H329-V417 HydrophobicContact CB-CG2 3.71Å
330I98.3Very high96.7Very high0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-61.9-46171-59.8177000109.1L311 T326 R327 K332 G333 S349 F416 C434L311-I330 HydrophobicContact CD1-CD1 4.14Å; T326-I330 PolarHBondContact O-N 2.83Å; R327-I330 WeakPolarHBondContact O-CB 3.29Å; R327-I330 PolarHBondContact O-N 3.33Å; R327-I330 VanDerWaalsContact O-N 3.12Å; I330-K332 PolarHBondContact O-N 3.21Å; I330-G333 WeakPolarHBondContact O-CA 3.25Å; I330-G333 PolarHBondContact O-N 3.4Å; I330-S349 WeakPolarHBondContact O-CB 3.44Å; I330-S349 PolarHBondContact O-OG 2.93Å; I330-F416 HydrophobicContact CD1-CB 4.43Å; I330-F416 HydrophobicContact CD1-CD2 4.24Å; I330-F416 HydrophobicContact CD1-CG 4.28Å; I330-F416 HydrophobicContact CG1-CB 3.91Å; I330-F416 HydrophobicContact CG1-CD1 4.44Å; I330-F416 HydrophobicContact CG1-CG 4.06Å; I330-F416 HydrophobicContact CG2-CD1 3.93Å; I330-F416 HydrophobicContact CG2-CE1 4.11Å; I330-F416 HydrophobicContact CG2-CG 4.33Å; I330-C434 HydrophobicContact CD1-CB 4.18Å
331G96.4Very high96.4Very high16 Ų1638 Ų3817%0.16519%0.192CC..THydrogen-bonded Turntrans56.1-121.917700000111.5G298 F299 H329 G333G298-G331 PolarHBondContact N-O 2.88Å; F299-G331 WeakPolarHBondContact CE2-O 3.17Å; H329-G331 VanDerWaalsContact C-N 3.33Å; G331-G333 PolarHBondContact O-N 2.59Å
332K96Very high96.3Very high83 Ų8336.1 Ų36.136%0.36118%0.175SC..THydrogen-bonded Turntrans-73-8.4175.8-36.6178.3-143.368.20113.9L295 D297 F299 I330 L348 D350L295-K332 WeakPolarHBondContact CD1-O 3.49Å; D297-K332 WeakPolarHBondContact CB-O 3.38Å; F299-K332 HydrophobicContact CE2-CB 4.5Å; F299-K332 HydrophobicContact CE2-CG 4.36Å; I330-K332 PolarHBondContact O-N 3.21Å; K332-L348 HydrophobicContact CB-CB 3.83Å; K332-L348 WeakPolarHBondContact CB-O 3.33Å; K332-L348 WeakPolarHBondContact CD-O 3.32Å; K332-L348 PolarHBondContact NZ-O 3.17Å; K332-D350 IonicContact NZ-OD1 3.14Å; K332-D350 PolarHBondContact NZ-OD1 3.12Å; K332-D350 IonicContact NZ-OD2 3.72Å; K332-D350 PolarHBondContact NZ-OD2 2.99Å
333G98Very high96.3Very high0 Ų033 Ų330%016%0.157CC..  trans61.4-129172.200000114.9V296 I330 G331 L348 S349V296-G333 CarbonylContact O-C 3.59Å; V296-G333 VanDerWaalsContact O-CA 3.31Å; V296-G333 WeakPolarHBondContact O-CA 3.32Å; I330-G333 WeakPolarHBondContact O-CA 3.25Å; I330-G333 PolarHBondContact O-N 3.4Å; G331-G333 PolarHBondContact O-N 2.59Å; G333-L348 PolarHBondContact O-N 3.08Å; G333-S349 WeakPolarHBondContact O-CB 3.49Å; G333-S349 PolarHBondContact O-N 3.39Å
334V98.5Very high96.3Very high0 Ų035.3 Ų35.30%017%0.165CC..EExtended strand (participates in β ladder)trans-126139-176.9620000110.7V296 L336 A345 E346 I353 M414 F416 I436V296-V334 HydrophobicContact CB-CG1 3.87Å; V296-V334 HydrophobicContact CG2-CG1 4.39Å; V296-V334 PolarHBondContact N-O 2.95Å; V296-V334 PolarHBondContact O-N 3.38Å; V334-L336 HydrophobicContact CG1-CG 4.44Å; V334-L336 HydrophobicContact CG2-CD2 4.18Å; V334-L336 HydrophobicContact CG2-CG 4.34Å; V334-A345 HydrophobicContact CG2-CB 3.91Å; V334-E346 WeakPolarHBondContact CA-O 3.3Å; V334-I353 HydrophobicContact CB-CD1 3.92Å; V334-I353 HydrophobicContact CG2-CD1 3.55Å; V334-M414 HydrophobicContact CB-SD 3.97Å; V334-M414 HydrophobicContact CG1-SD 3.75Å; V334-M414 HydrophobicContact CG2-CE 4.02Å; V334-M414 HydrophobicContact CG2-SD 3.84Å; V334-F416 HydrophobicContact CB-CE1 4.34Å; V334-F416 HydrophobicContact CG1-CE1 3.9Å; V334-F416 HydrophobicContact CG1-CZ 4.07Å; V334-I436 HydrophobicContact CG1-CD1 4.44Å
335H97.8Very high96.3Very high23 Ų2330.9 Ų30.911%0.10615%0.145CC..EExtended strand (participates in β ladder)trans-100.2117.4166174.6-156.2000108.9H101 S293 L295 Y337 E346 L348H101-H335 AromaticContact CD2-CE1 3.95Å; H101-H335 AromaticContact NE2-CE1 3.46Å; H101-H335 PolarHBondContact NE2-CE1 2.99Å; H101-H335 AromaticContact NE2-ND1 3.88Å; S293-H335 PolarHBondContact OG-NE2 3.29Å; L295-H335 HydrophobicContact CD1-CB 4.41Å; H335-Y337 AromaticContact CE1-CD1 3.82Å; H335-E346 HydrophobicContact CB-CB 4.4Å; H335-E346 PolarHBondContact N-O 2.85Å; H335-E346 PolarHBondContact O-N 3.01Å; H335-L348 HydrophobicContact CB-CD1 3.69Å; H335-L348 HydrophobicContact CB-CG 4.08Å
336L98Very high96.3Very high0 Ų029.5 Ų29.50%014%0.136CC..EExtended strand (participates in β ladder)trans-99.4129.1174.5-65.2169.9000108.7W271 I274 V294 V296 V334 Y344 A345 I382 M414 I438W271-L336 HydrophobicContact CH2-CB 4.23Å; I274-L336 HydrophobicContact CD1-CD1 3.65Å; V294-L336 PolarHBondContact N-O 2.93Å; V294-L336 PolarHBondContact O-N 2.83Å; V296-L336 HydrophobicContact CG2-CD1 4.14Å; V334-L336 HydrophobicContact CG1-CG 4.44Å; V334-L336 HydrophobicContact CG2-CD2 4.18Å; V334-L336 HydrophobicContact CG2-CG 4.34Å; L336-Y344 WeakPolarHBondContact CA-O 3.35Å; L336-A345 HydrophobicContact CD2-CB 3.89Å; L336-I382 HydrophobicContact CD2-CD1 4.03Å; L336-M414 HydrophobicContact CD2-CE 3.97Å; L336-I438 HydrophobicContact CD1-CD1 3.74Å; L336-I438 HydrophobicContact CD1-CG1 4.49Å; L336-I438 HydrophobicContact CD2-CD1 4.08Å
337Y95.7Very high96.3Very high17 Ų1729.3 Ų29.37%0.06714%0.135CC..EExtended strand (participates in β ladder)trans-136.5138.5174.858.6-91000112.9H101 T292 H335 V339 V343 Y344 E346 S379H101-Y337 HydrophobicContact CB-CD2 3.76Å; H101-Y337 HydrophobicContact CB-CE2 3.61Å; H101-Y337 AromaticContact CD2-CD1 3.49Å; H101-Y337 VanDerWaalsContact CD2-CD1 3.49Å; H101-Y337 WeakPolarHBondContact CD2-CD1 3.41Å; H101-Y337 AromaticContact CD2-CD2 3.58Å; H101-Y337 AromaticContact CD2-CE1 3.59Å; H101-Y337 AromaticContact CD2-CE2 3.68Å; H101-Y337 AromaticContact CD2-CG 3.49Å; H101-Y337 VanDerWaalsContact CD2-CG 3.49Å; H101-Y337 AromaticContact CD2-CZ 3.7Å; H101-Y337 AromaticContact CE1-CE1 3.4Å; H101-Y337 WeakPolarHBondContact CE1-CE1 3.45Å; H101-Y337 AromaticContact CE1-CZ 3.45Å; H101-Y337 VanDerWaalsContact CE1-CZ 3.45Å; H101-Y337 AromaticContact CG-CD2 3.65Å; H101-Y337 AromaticContact CG-CE1 3.94Å; H101-Y337 AromaticContact CG-CE2 3.38Å; H101-Y337 AromaticContact CG-CZ 3.55Å; H101-Y337 AromaticContact ND1-CE1 3.83Å; H101-Y337 AromaticContact ND1-CE2 3.69Å; H101-Y337 AromaticContact ND1-CZ 3.39Å; H101-Y337 AromaticContact NE2-CD1 3.47Å; H101-Y337 WeakPolarHBondContact NE2-CD1 3.3Å; H101-Y337 AromaticContact NE2-CE1 3.31Å; H101-Y337 VanDerWaalsContact NE2-CE1 3.31Å; H101-Y337 WeakPolarHBondContact NE2-CE1 3.42Å; H101-Y337 AromaticContact NE2-CG 4Å; H101-Y337 AromaticContact NE2-CZ 3.72Å; T292-Y337 CarbonylContact O-C 3.57Å; T292-Y337 VanDerWaalsContact O-CA 3.24Å; T292-Y337 WeakPolarHBondContact O-CA 3.34Å; H335-Y337 AromaticContact CE1-CD1 3.82Å; Y337-V339 HydrophobicContact CD2-CG1 3.82Å; Y337-V339 HydrophobicContact CE2-CG1 4.03Å; Y337-V343 WeakPolarHBondContact O-CA 3.21Å; Y337-Y344 AromaticContact CD2-CD2 3.94Å; Y337-Y344 HydrophobicContact CD2-CD2 3.94Å; Y337-Y344 HydrophobicContact CD2-CG 4.17Å; Y337-Y344 HydrophobicContact CE1-CG 4.44Å; Y337-Y344 HydrophobicContact CE2-CD1 4.16Å; Y337-Y344 AromaticContact CE2-CD2 3.39Å; Y337-Y344 HydrophobicContact CE2-CD2 3.39Å; Y337-Y344 HydrophobicContact CE2-CE2 4.18Å; Y337-Y344 AromaticContact CE2-CG 3.38Å; Y337-Y344 HydrophobicContact CE2-CG 3.38Å; Y337-Y344 AromaticContact CZ-CG 3.54Å; Y337-Y344 PolarHBondContact N-O 2.61Å; Y337-Y344 PolarHBondContact O-N 3.36Å; Y337-Y344 WeakPolarHBondContact OH-CB 3.45Å; Y337-Y344 WeakPolarHBondContact OH-CD1 3.39Å; Y337-E346 HydrophobicContact CE1-CB 4.36Å; Y337-S379 PolarHBondContact OH-OG 3.46Å; Y337-S379 VanDerWaalsContact OH-OG 3.13Å
338Y94.1Very high96.3Very high26 Ų2630.7 Ų30.710%0.10214%0.144CC..EExtended strand (participates in β ladder)trans-103123.9172.3175.3-113.1000108.9E267 W271 T292 E342 V343 N385E267-Y338 WeakPolarHBondContact OE1-CE1 3.4Å; E267-Y338 PolarHBondContact OE1-OH 3.04Å; W271-Y338 HydrophobicContact CD2-CG 4.42Å; T292-Y338 HydrophobicContact CG2-CD1 4.41Å; T292-Y338 PolarHBondContact O-N 3.31Å; Y338-E342 CarbonylContact C-O 3.58Å; Y338-E342 WeakPolarHBondContact CA-O 3.38Å; Y338-E342 WeakPolarHBondContact CD2-O 3.32Å; Y338-V343 HydrophobicContact CD2-CG2 3.93Å; Y338-N385 PolarHBondContact OH-ND2 3.38Å
339V92.5Very high96.3Very high15 Ų1523.4 Ų23.49%0.09112%0.117CC..EExtended strand (participates in β ladder)trans-153.5131.6-178.663.70000110.4H101 E102 V130 Y337 G341 E342 Y344H101-V339 HydrophobicContact CB-CG1 4.35Å; E102-V339 HydrophobicContact CG-CG2 4.25Å; V130-V339 HydrophobicContact CB-CG2 3.69Å; V130-V339 HydrophobicContact CG1-CG2 3.86Å; V130-V339 HydrophobicContact CG2-CG2 4.22Å; Y337-V339 HydrophobicContact CD2-CG1 3.82Å; Y337-V339 HydrophobicContact CE2-CG1 4.03Å; V339-G341 VanDerWaalsContact C-N 3.27Å; V339-G341 PolarHBondContact O-N 2.84Å; V339-E342 PolarHBondContact N-O 3.49Å; V339-E342 WeakPolarHBondContact O-CB 3.09Å; V339-E342 PolarHBondContact O-N 3.36Å; V339-Y344 HydrophobicContact CG1-CD2 4.18Å; V339-Y344 HydrophobicContact CG1-CE2 4.04Å
340G87.6Confident96.3Very high16 Ų1624.1 Ų24.117%0.16512%0.124CC..THydrogen-bonded Turntrans59.730.617500000115.3E131 P133 E342E131-G340 WeakPolarHBondContact O-CA 3.21Å; P133-G340 WeakPolarHBondContact CD-O 3.36Å; G340-E342 VanDerWaalsContact C-N 3.3Å
341G91.1Very high96.3Very high2 Ų225.4 Ų25.42%0.02113%0.133CC..THydrogen-bonded Turntrans79.65.3-173.900000115S132 V339 N385S132-G341 PolarHBondContact OG-N 3.44Å; V339-G341 VanDerWaalsContact C-N 3.27Å; V339-G341 PolarHBondContact O-N 2.84Å; G341-N385 VanDerWaalsContact O-CB 3.22Å; G341-N385 WeakPolarHBondContact O-CB 3.46Å; G341-N385 PolarHBondContact O-N 3.39Å
342E95.4Very high96.3Very high37 Ų3726.1 Ų26.117%0.17314%0.135CC..EExtended strand (participates in β ladder)trans-115.8146-178.1-56.4-175.9141.700111.3Y338 V339 G340 Y344 K381 F383Y338-E342 CarbonylContact C-O 3.58Å; Y338-E342 WeakPolarHBondContact CA-O 3.38Å; Y338-E342 WeakPolarHBondContact CD2-O 3.32Å; V339-E342 PolarHBondContact N-O 3.49Å; V339-E342 WeakPolarHBondContact O-CB 3.09Å; V339-E342 PolarHBondContact O-N 3.36Å; G340-E342 VanDerWaalsContact C-N 3.3Å; E342-Y344 HydrophobicContact CB-CD2 4.27Å; E342-Y344 HydrophobicContact CB-CE2 3.63Å; E342-Y344 WeakPolarHBondContact OE2-CE2 3.31Å; E342-Y344 PolarHBondContact OE2-OH 2.81Å; E342-K381 HydrophobicContact CB-CD 4.48Å; E342-K381 HydrophobicContact CG-CD 4.39Å; E342-K381 VanDerWaalsContact OE1-CE 3.22Å; E342-K381 WeakPolarHBondContact OE1-CE 3.19Å; E342-K381 IonicContact OE1-NZ 2.78Å; E342-K381 PolarHBondContact OE1-NZ 3.33Å; E342-K381 IonicContact OE2-NZ 3.67Å; E342-F383 CarbonylContact C-O 3.55Å; E342-F383 WeakPolarHBondContact CA-O 3.34Å
343V97.3Very high96.5Very high3 Ų322.2 Ų22.22%0.01812%0.118CC..EExtended strand (participates in β ladder)trans-112134.6172.6-172.70000109.5W271 Y337 Y338 I382 F383 L440W271-V343 HydrophobicContact CE3-CG2 4.31Å; W271-V343 HydrophobicContact CH2-CG1 3.9Å; W271-V343 HydrophobicContact CZ3-CB 4.46Å; W271-V343 HydrophobicContact CZ3-CG1 3.65Å; W271-V343 HydrophobicContact CZ3-CG2 3.87Å; Y337-V343 WeakPolarHBondContact O-CA 3.21Å; Y338-V343 HydrophobicContact CD2-CG2 3.93Å; V343-I382 HydrophobicContact CB-CG1 4.11Å; V343-I382 HydrophobicContact CG1-CD1 3.94Å; V343-I382 HydrophobicContact CG1-CG1 3.82Å; V343-I382 WeakPolarHBondContact O-CG1 3.22Å; V343-I382 PolarHBondContact O-N 3.41Å; V343-F383 HydrophobicContact CB-CB 3.81Å; V343-F383 HydrophobicContact CG2-CB 3.95Å; V343-F383 PolarHBondContact N-O 2.85Å; V343-F383 PolarHBondContact O-N 3.45Å; V343-F383 VanDerWaalsContact O-N 3.07Å; V343-L440 HydrophobicContact CG2-CD1 4.34Å; V343-L440 HydrophobicContact CG2-CD2 4.15Å
344Y97.9Very high96.5Very high48 Ų4822.8 Ų22.819%0.18812%0.121CC..EExtended strand (participates in β ladder)trans-123156.1178.1-68.3-104000111.7L336 Y337 V339 E342 L380 K381L336-Y344 WeakPolarHBondContact CA-O 3.35Å; Y337-Y344 AromaticContact CD2-CD2 3.94Å; Y337-Y344 HydrophobicContact CD2-CD2 3.94Å; Y337-Y344 HydrophobicContact CD2-CG 4.17Å; Y337-Y344 HydrophobicContact CE1-CG 4.44Å; Y337-Y344 HydrophobicContact CE2-CD1 4.16Å; Y337-Y344 AromaticContact CE2-CD2 3.39Å; Y337-Y344 HydrophobicContact CE2-CD2 3.39Å; Y337-Y344 HydrophobicContact CE2-CE2 4.18Å; Y337-Y344 AromaticContact CE2-CG 3.38Å; Y337-Y344 HydrophobicContact CE2-CG 3.38Å; Y337-Y344 AromaticContact CZ-CG 3.54Å; Y337-Y344 PolarHBondContact N-O 2.61Å; Y337-Y344 PolarHBondContact O-N 3.36Å; Y337-Y344 WeakPolarHBondContact OH-CB 3.45Å; Y337-Y344 WeakPolarHBondContact OH-CD1 3.39Å; V339-Y344 HydrophobicContact CG1-CD2 4.18Å; V339-Y344 HydrophobicContact CG1-CE2 4.04Å; E342-Y344 HydrophobicContact CB-CD2 4.27Å; E342-Y344 HydrophobicContact CB-CE2 3.63Å; E342-Y344 WeakPolarHBondContact OE2-CE2 3.31Å; E342-Y344 PolarHBondContact OE2-OH 2.81Å; Y344-L380 CarbonylContact C-O 3.58Å; Y344-L380 VanDerWaalsContact CA-O 3.29Å; Y344-L380 WeakPolarHBondContact CA-O 3.39Å; Y344-K381 HydrophobicContact CD1-CB 4Å; Y344-K381 HydrophobicContact CD1-CG 4.49Å; Y344-K381 HydrophobicContact CE1-CB 3.74Å; Y344-K381 HydrophobicContact CE1-CG 4.14Å; Y344-K381 HydrophobicContact CE2-CG 4.35Å; Y344-K381 WeakPolarHBondContact OH-CE 3.44Å
345A98.4Very high96.5Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-125.7117.7167.500000110.7V334 L336 I374 S379 L380 I382 M414V334-A345 HydrophobicContact CG2-CB 3.91Å; L336-A345 HydrophobicContact CD2-CB 3.89Å; A345-I374 HydrophobicContact CB-CD1 4.11Å; A345-S379 WeakPolarHBondContact O-CA 3.49Å; A345-L380 PolarHBondContact N-O 2.76Å; A345-L380 PolarHBondContact O-N 3.14Å; A345-I382 HydrophobicContact CB-CD1 4.09Å; A345-I382 HydrophobicContact CB-CG2 3.97Å; A345-M414 HydrophobicContact CB-CE 3.75Å
346E98.1Very high96.5Very high46 Ų4623.6 Ų23.622%0.21513%0.125CC..EExtended strand (participates in β ladder)trans-101.9124.8171.8-174.2177.3162.700110.6H101 V334 H335 Y337 L348 C378H101-E346 IonicContact CE1-OE2 2.75Å; V334-E346 WeakPolarHBondContact CA-O 3.3Å; H335-E346 HydrophobicContact CB-CB 4.4Å; H335-E346 PolarHBondContact N-O 2.85Å; H335-E346 PolarHBondContact O-N 3.01Å; Y337-E346 HydrophobicContact CE1-CB 4.36Å; E346-L348 HydrophobicContact CG-CD2 3.94Å; E346-L348 PolarHBondContact O-N 2.75Å; E346-L348 WeakPolarHBondContact OE1-CD2 3.44Å; E346-C378 WeakPolarHBondContact CA-O 3.33Å
347C98.3Very high96.5Very high0 Ų023.7 Ų23.70%013%0.125CC..EExtended strand (participates in β ladder)trans-82.794.4-179.1-173.90000110.8S351 I353 I374 P375 G377 C378C347-S351 PolarHBondContact SG-O 2.72Å; C347-S351 VanDerWaalsContact SG-O 3.33Å; C347-I353 HydrophobicContact CB-CD1 3.77Å; C347-I353 HydrophobicContact CB-CG1 3.93Å; C347-I374 HydrophobicContact CB-CB 4.48Å; C347-I374 HydrophobicContact CB-CG2 3.82Å; C347-P375 VanDerWaalsContact CB-O 3.29Å; C347-P375 WeakPolarHBondContact CB-O 3.33Å; C347-G377 PolarHBondContact O-N 3.39Å; C347-C378 PolarHBondContact N-O 3.48Å
348L97.4Very high96.5Very high54 Ų5426.2 Ų26.228%0.28314%0.135SC..  trans-84.3-18.5177.7-60.2-174.5000113.3L295 K332 G333 H335 E346L295-L348 HydrophobicContact CD1-CD1 3.83Å; K332-L348 HydrophobicContact CB-CB 3.83Å; K332-L348 WeakPolarHBondContact CB-O 3.33Å; K332-L348 WeakPolarHBondContact CD-O 3.32Å; K332-L348 PolarHBondContact NZ-O 3.17Å; G333-L348 PolarHBondContact O-N 3.08Å; H335-L348 HydrophobicContact CB-CD1 3.69Å; H335-L348 HydrophobicContact CB-CG 4.08Å; E346-L348 HydrophobicContact CG-CD2 3.94Å; E346-L348 PolarHBondContact O-N 2.75Å; E346-L348 WeakPolarHBondContact OE1-CD2 3.44Å
349S97.7Very high96.7Very high2 Ų225.1 Ų25.11%0.01413%0.131CC..SBendtrans-60.7146.2169.9-173.20000111.2H329 I330 G333 S351 S376H329-S349 PolarHBondContact O-OG 3.24Å; H329-S349 VanDerWaalsContact O-OG 3.07Å; I330-S349 WeakPolarHBondContact O-CB 3.44Å; I330-S349 PolarHBondContact O-OG 2.93Å; G333-S349 WeakPolarHBondContact O-CB 3.49Å; G333-S349 PolarHBondContact O-N 3.39Å; S349-S351 WeakPolarHBondContact CB-O 3.31Å; S349-S351 PolarHBondContact O-N 2.58Å; S349-S351 PolarHBondContact OG-N 3.27Å; S349-S351 VanDerWaalsContact OG-N 3.16Å; S349-S351 PolarHBondContact OG-O 2.91Å; S349-S376 WeakPolarHBondContact O-CB 3.47Å; S349-S376 PolarHBondContact O-OG 3.02Å; S349-S376 VanDerWaalsContact O-OG 3.06Å
350D97.4Very high96.8Very high119 Ų11924.7 Ų24.764%0.63613%0.128SC*.SBendtrans-75.5-6.3173.1-45.3-72.3000111.4K332K332-D350 IonicContact NZ-OD1 3.14Å; K332-D350 PolarHBondContact NZ-OD1 3.12Å; K332-D350 IonicContact NZ-OD2 3.72Å; K332-D350 PolarHBondContact NZ-OD2 2.99Å
351S98Very high97.2Very high27 Ų2724 Ų2419%0.18912%0.121CC..SBendtrans-110.4146.5170.2-68.20000111.6C347 S349C347-S351 PolarHBondContact SG-O 2.72Å; C347-S351 VanDerWaalsContact SG-O 3.33Å; S349-S351 WeakPolarHBondContact CB-O 3.31Å; S349-S351 PolarHBondContact O-N 2.58Å; S349-S351 PolarHBondContact OG-N 3.27Å; S349-S351 VanDerWaalsContact OG-N 3.16Å; S349-S351 PolarHBondContact OG-O 2.91Å
352S98.1Very high97.4Very high30 Ų3029.7 Ų29.721%0.2114%0.142CC..  trans-60.5149178-52.30000113.5I374 V417S352-I374 WeakPolarHBondContact CA-O 3.43Å; S352-I374 WeakPolarHBondContact CB-O 3.29Å; S352-V417 WeakPolarHBondContact O-CA 3.09Å; S352-V417 PolarHBondContact O-N 2.91Å
353I98.6Very high97.3Very high1 Ų132.5 Ų32.51%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-107.2156.8164.863.2-174.7000109.9V334 C347 I374 M414 S415 F416V334-I353 HydrophobicContact CB-CD1 3.92Å; V334-I353 HydrophobicContact CG2-CD1 3.55Å; C347-I353 HydrophobicContact CB-CD1 3.77Å; C347-I353 HydrophobicContact CB-CG1 3.93Å; I353-I374 HydrophobicContact CD1-CB 4.36Å; I353-I374 HydrophobicContact CD1-CD1 4.14Å; I353-I374 HydrophobicContact CG1-CB 3.77Å; I353-I374 HydrophobicContact CG1-CD1 4.18Å; I353-I374 HydrophobicContact CG1-CG1 4.37Å; I353-I374 HydrophobicContact CG1-CG2 4.43Å; I353-I374 PolarHBondContact N-O 3.28Å; I353-I374 VanDerWaalsContact N-O 3.08Å; I353-I374 PolarHBondContact O-N 3.12Å; I353-M414 HydrophobicContact CB-CG 4.34Å; I353-M414 HydrophobicContact CB-SD 4.36Å; I353-M414 HydrophobicContact CD1-CE 4.42Å; I353-M414 HydrophobicContact CD1-SD 3.89Å; I353-S415 WeakPolarHBondContact CA-O 3.26Å; I353-F416 HydrophobicContact CG2-CD1 3.76Å; I353-F416 HydrophobicContact CG2-CE1 4.24Å
354F98.4Very high97Very high13 Ų1335.5 Ų35.56%0.05717%0.169CC..EExtended strand (participates in β ladder)trans-129.9127.4-173.6-59.8-93.3000108.2V371 C372 K373 M414 S415 G419 W420 Y424F354-V371 HydrophobicContact CB-CG1 3.84Å; F354-C372 WeakPolarHBondContact CA-O 3.26Å; F354-K373 HydrophobicContact CD1-CB 3.97Å; F354-K373 HydrophobicContact CD1-CG 4.09Å; F354-K373 HydrophobicContact CE1-CB 3.97Å; F354-K373 HydrophobicContact CE1-CD 3.94Å; F354-K373 HydrophobicContact CE1-CG 3.66Å; F354-K373 HydrophobicContact CZ-CD 4.49Å; F354-K373 HydrophobicContact CZ-CG 4.29Å; F354-M414 CarbonylContact O-C 3.42Å; F354-M414 WeakPolarHBondContact O-CA 3.22Å; F354-S415 PolarHBondContact N-O 3.23Å; F354-S415 PolarHBondContact O-N 3.49Å; F354-G419 VanDerWaalsContact CG-CA 3.5Å; F354-W420 HydrophobicContact CB-CE3 4.14Å; F354-W420 HydrophobicContact CB-CZ3 3.71Å; F354-W420 WeakPolarHBondContact O-CH2 3.47Å; F354-W420 VanDerWaalsContact O-CZ3 3.29Å; F354-W420 WeakPolarHBondContact O-CZ3 3.46Å; F354-Y424 HydrophobicContact CE1-CE1 4.17Å; F354-Y424 AromaticContact CE1-CZ 3.8Å; F354-Y424 WeakPolarHBondContact CE1-OH 3.45Å
355V98.3Very high96.8Very high3 Ų336.6 Ų36.62%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-127.5128.3-168.5-171.70000111.3V371 C372 I374 I382 R413 M414V355-V371 CarbonylContact O-C 3.49Å; V355-C372 PolarHBondContact N-O 2.89Å; V355-C372 PolarHBondContact O-N 3.32Å; V355-I374 HydrophobicContact CG2-CD1 3.56Å; V355-I374 HydrophobicContact CG2-CG1 4.27Å; V355-I382 HydrophobicContact CG1-CG2 4.07Å; V355-R413 WeakPolarHBondContact CA-O 3.29Å; V355-M414 HydrophobicContact CG2-CB 4.42Å; V355-M414 HydrophobicContact CG2-CE 3.79Å; V355-M414 HydrophobicContact CG2-CG 4.03Å; V355-M414 HydrophobicContact CG2-SD 4.48Å
356Q98.1Very high96.5Very high36 Ų3639.6 Ų39.617%0.16821%0.208CC..EExtended strand (participates in β ladder)trans-106.5113165-176.9179.980.500108.1T369 V371 R413 W420Q356-T369 PolarHBondContact NE2-O 3.15Å; Q356-V371 HydrophobicContact CB-CG2 4.4Å; Q356-R413 HydrophobicContact CB-CB 4.38Å; Q356-R413 PolarHBondContact N-O 3.06Å; Q356-R413 PolarHBondContact O-N 3.08Å; Q356-W420 HydrophobicContact CB-CH2 4.22Å; Q356-W420 HydrophobicContact CB-CZ2 3.63Å
357S98.1Very high96.3Very high2 Ų240.3 Ų40.31%0.01421%0.211CC..  trans-131.5117.5171.5165.40000108.1N359 C360 N361 I382S357-N359 VanDerWaalsContact C-N 3.25Å; S357-N359 PolarHBondContact O-N 2.78Å; S357-N359 PolarHBondContact OG-N 2.93Å; S357-C360 PolarHBondContact O-N 2.86Å; S357-C360 PolarHBondContact OG-N 2.89Å; S357-C360 VanDerWaalsContact OG-N 3.14Å; S357-N361 WeakPolarHBondContact O-CB 3.5Å; S357-N361 PolarHBondContact O-N 3.4Å; S357-N361 PolarHBondContact O-ND2 2.6Å; S357-I382 WeakPolarHBondContact CB-O 3.19Å; S357-I382 PolarHBondContact OG-O 3.18Å
358R96.7Very high96Very high71 Ų7143 Ų4327%0.26823%0.229SC..Hα-helixtrans-63.1-33.7178.6-65.9-168172.8-163.2-7112.3Y362 P368 E405 K408 M409R358-Y362 WeakPolarHBondContact O-CB 3.41Å; R358-Y362 PolarHBondContact O-N 2.78Å; R358-P368 HydrophobicContact CG-CB 4.27Å; R358-E405 IonicContact NH1-OE2 3.9Å; R358-E405 PolarHBondContact NH1-OE2 2.8Å; R358-K408 WeakPolarHBondContact CD-O 3.48Å; R358-M409 HydrophobicContact CB-CG 4.47Å; R358-M409 HydrophobicContact CB-SD 3.35Å; R358-M409 WeakPolarHBondContact CB-SD 3.27Å; R358-M409 HydrophobicContact CG-SD 4.44Å
359N97.1Very high95.9Very high3 Ų343.2 Ų43.22%0.01623%0.232CC..Hα-helixtrans-67.2-48.1175.7174.4-112.9000111.6S357 N361 Y362 H363 F383 N384 E387 M409S357-N359 VanDerWaalsContact C-N 3.25Å; S357-N359 PolarHBondContact O-N 2.78Å; S357-N359 PolarHBondContact OG-N 2.93Å; N359-N361 VanDerWaalsContact C-N 3.3Å; N359-N361 PolarHBondContact O-N 3.17Å; N359-Y362 PolarHBondContact O-N 3.45Å; N359-H363 PolarHBondContact O-N 3.29Å; N359-F383 HydrophobicContact CB-CD2 3.58Å; N359-F383 HydrophobicContact CB-CE2 3.71Å; N359-F383 HydrophobicContact CB-CG 4.45Å; N359-F383 WeakPolarHBondContact OD1-CA 3.48Å; N359-N384 PolarHBondContact OD1-N 3.08Å; N359-E387 PolarHBondContact ND2-OE2 3.06Å; N359-M409 HydrophobicContact CB-CE 3.92Å
360C95.8Very high95.7Very high5 Ų543.4 Ų43.43%0.03423%0.234CC..Hα-helixtrans-61.7-39.1175.5-170.10000111.9S357 H363 H364 K381S357-C360 PolarHBondContact O-N 2.86Å; S357-C360 PolarHBondContact OG-N 2.89Å; S357-C360 VanDerWaalsContact OG-N 3.14Å; C360-H363 PolarHBondContact O-N 3.35Å; C360-H364 PolarHBondContact O-N 2.66Å; C360-H364 PolarHBondContact O-ND1 3.19Å; C360-K381 PolarHBondContact SG-O 3.38Å
361N96.1Very high95.7Very high1 Ų137.8 Ų37.81%0.00520%0.203CC..Hα-helixtrans-65-46.4176.6-70.2-15.7000111.3S357 N359 H363 H364 G365 F366 H367 P368 T370S357-N361 WeakPolarHBondContact O-CB 3.5Å; S357-N361 PolarHBondContact O-N 3.4Å; S357-N361 PolarHBondContact O-ND2 2.6Å; N359-N361 VanDerWaalsContact C-N 3.3Å; N359-N361 PolarHBondContact O-N 3.17Å; N361-H363 PolarHBondContact O-N 3.49Å; N361-H364 PolarHBondContact O-N 3.42Å; N361-G365 PolarHBondContact O-N 2.86Å; N361-G365 VanDerWaalsContact O-N 3.16Å; N361-F366 HydrophobicContact CB-CB 4.09Å; N361-F366 PolarHBondContact O-N 3.14Å; N361-H367 PolarHBondContact ND2-O 2.94Å; N361-P368 PolarHBondContact ND2-O 2.98Å; N361-T370 PolarHBondContact ND2-N 3.06Å; N361-T370 PolarHBondContact ND2-O 3.26Å
362Y94.4Very high95.7Very high122 Ų12236.8 Ų36.848%0.47820%0.196SC..Hα-helixtrans-56.7-47.2175179.8-91000112.1R358 N359 H364 G365 E387 L391R358-Y362 WeakPolarHBondContact O-CB 3.41Å; R358-Y362 PolarHBondContact O-N 2.78Å; N359-Y362 PolarHBondContact O-N 3.45Å; Y362-H364 PolarHBondContact O-N 2.98Å; Y362-H364 VanDerWaalsContact O-N 3.16Å; Y362-G365 PolarHBondContact O-N 2.76Å; Y362-E387 HydrophobicContact CD1-CG 4.27Å; Y362-E387 HydrophobicContact CE1-CG 4.44Å; Y362-L391 HydrophobicContact CD1-CD1 3.96Å; Y362-L391 HydrophobicContact CE1-CD1 4.06Å; Y362-L391 HydrophobicContact CE1-CD2 4.04Å; Y362-L391 HydrophobicContact CE1-CG 4.3Å; Y362-L391 HydrophobicContact CE2-CD2 3.99Å; Y362-L391 HydrophobicContact CG-CD1 4.24Å
363H93.1Very high95.6Very high96 Ų9638.3 Ų38.344%0.44420%0.199SC..Hα-helixtrans-54.5-35.9-179.9-167.867.1000113.8N359 C360 N361 E387N359-H363 PolarHBondContact O-N 3.29Å; C360-H363 PolarHBondContact O-N 3.35Å; N361-H363 PolarHBondContact O-N 3.49Å; H363-E387 WeakPolarHBondContact CA-OE1 3.31Å; H363-E387 WeakPolarHBondContact CB-OE1 3.5Å; H363-E387 IonicContact CE1-OE1 3.82Å; H363-E387 IonicContact CG-OE1 3.17Å; H363-E387 IonicContact CG-OE2 3.47Å; H363-E387 IonicContact ND1-OE1 3.44Å; H363-E387 PolarHBondContact ND1-OE1 2.88Å; H363-E387 IonicContact ND1-OE2 2.72Å
364H90.9Very high95.6Very high66 Ų6638.2 Ų38.231%0.30620%0.199SC..THydrogen-bonded Turntrans-99.65.9-178.1-58.496.6000113.4F176 C360 N361 Y362 F366F176-H364 AromaticContact CD1-CD2 3.98Å; F176-H364 AromaticContact CE1-CD2 3.55Å; F176-H364 AromaticContact CE1-NE2 3.98Å; C360-H364 PolarHBondContact O-N 2.66Å; C360-H364 PolarHBondContact O-ND1 3.19Å; N361-H364 PolarHBondContact O-N 3.42Å; Y362-H364 PolarHBondContact O-N 2.98Å; Y362-H364 VanDerWaalsContact O-N 3.16Å; H364-F366 HydrophobicContact CB-CD1 4.28Å; H364-F366 HydrophobicContact CB-CD2 3.79Å; H364-F366 HydrophobicContact CB-CE1 4.12Å; H364-F366 HydrophobicContact CB-CE2 3.62Å; H364-F366 HydrophobicContact CB-CG 4.12Å; H364-F366 HydrophobicContact CB-CZ 3.8Å; H364-F366 PolarHBondContact O-N 3.12Å
365G92.9Very high95.6Very high71 Ų7139.2 Ų39.273%0.73221%0.206SC*.THydrogen-bonded Turntrans68.717.6-176.400000114.6N361 Y362N361-G365 PolarHBondContact O-N 2.86Å; N361-G365 VanDerWaalsContact O-N 3.16Å; Y362-G365 PolarHBondContact O-N 2.76Å
366F93.6Very high95.5Very high63 Ų6341.9 Ų41.928%0.27623%0.226SC..  trans-80159.5176.4-57.6-28.7000111.8A170 F176 N361 H364 T370A170-F366 HydrophobicContact CB-CD2 4.26Å; A170-F366 HydrophobicContact CB-CE2 3.51Å; A170-F366 HydrophobicContact CB-CZ 3.73Å; F176-F366 AromaticContact CE1-CE2 3.99Å; F176-F366 HydrophobicContact CE1-CE2 3.99Å; F176-F366 AromaticContact CE1-CZ 3.68Å; F176-F366 HydrophobicContact CE1-CZ 3.68Å; F176-F366 AromaticContact CZ-CE2 3.83Å; F176-F366 HydrophobicContact CZ-CE2 3.83Å; F176-F366 AromaticContact CZ-CZ 3.74Å; F176-F366 HydrophobicContact CZ-CZ 3.74Å; N361-F366 HydrophobicContact CB-CB 4.09Å; N361-F366 PolarHBondContact O-N 3.14Å; H364-F366 HydrophobicContact CB-CD1 4.28Å; H364-F366 HydrophobicContact CB-CD2 3.79Å; H364-F366 HydrophobicContact CB-CE1 4.12Å; H364-F366 HydrophobicContact CB-CE2 3.62Å; H364-F366 HydrophobicContact CB-CG 4.12Å; H364-F366 HydrophobicContact CB-CZ 3.8Å; H364-F366 PolarHBondContact O-N 3.12Å; F366-T370 HydrophobicContact CB-CG2 4.17Å; F366-T370 HydrophobicContact CD2-CG2 4.23Å; F366-T370 HydrophobicContact CG-CG2 4.36Å
367H93.8Very high95.3Very high61 Ų6143 Ų4328%0.28225%0.247SC..  trans-61.7140.9174.7-172.8-107.2000110.8P167 N361 T369 T370P167-H367 HydrophobicContact CB-CB 4.16Å; P167-H367 HydrophobicContact CG-CB 3.46Å; P167-H367 VanDerWaalsContact CG-CB 3.46Å; N361-H367 PolarHBondContact ND2-O 2.94Å; H367-T369 PolarHBondContact CE1-OG1 3.23Å; H367-T369 VanDerWaalsContact CE1-OG1 3.29Å; H367-T369 PolarHBondContact ND1-OG1 3.05Å; H367-T369 PolarHBondContact O-N 2.98Å; H367-T370 VanDerWaalsContact O-CB 3.31Å; H367-T370 WeakPolarHBondContact O-CB 3.23Å; H367-T370 PolarHBondContact O-N 3.39Å; H367-T370 PolarHBondContact O-OG1 3.03Å
368P92.2Very high95.2Very high57 Ų5744.3 Ų44.337%0.3726%0.256SS..THydrogen-bonded Turntrans-56.3-24.4-174-30.137.1000115.4R358 N361R358-P368 HydrophobicContact CG-CB 4.27Å; N361-P368 PolarHBondContact ND2-O 2.98Å
369T93.8Very high95.2Very high58 Ų5842.6 Ų42.636%0.35625%0.254SS..THydrogen-bonded Turntrans-92.6-4.5177.763.50000115.3Q356 H367Q356-T369 PolarHBondContact NE2-O 3.15Å; H367-T369 PolarHBondContact CE1-OG1 3.23Å; H367-T369 VanDerWaalsContact CE1-OG1 3.29Å; H367-T369 PolarHBondContact ND1-OG1 3.05Å; H367-T369 PolarHBondContact O-N 2.98Å
370T95.2Very high95.1Very high7 Ų743 Ų434%0.04326%0.256CS..  trans-52.8142178.8-71.10000111.6N361 F366 H367N361-T370 PolarHBondContact ND2-N 3.06Å; N361-T370 PolarHBondContact ND2-O 3.26Å; F366-T370 HydrophobicContact CB-CG2 4.17Å; F366-T370 HydrophobicContact CD2-CG2 4.23Å; F366-T370 HydrophobicContact CG-CG2 4.36Å; H367-T370 VanDerWaalsContact O-CB 3.31Å; H367-T370 WeakPolarHBondContact O-CB 3.23Å; H367-T370 PolarHBondContact O-N 3.39Å; H367-T370 PolarHBondContact O-OG1 3.03Å
371V97.1Very high95.2Very high0 Ų045.8 Ų45.80%027%0.268CS..  trans-111.4110.5-179.7-174.80000109.5N169 F354 V355 Q356 W420N169-V371 WeakPolarHBondContact CB-O 2.94Å; N169-V371 PolarHBondContact OD1-N 2.74Å; N169-V371 PolarHBondContact OD1-O 2.98Å; F354-V371 HydrophobicContact CB-CG1 3.84Å; V355-V371 CarbonylContact O-C 3.49Å; Q356-V371 HydrophobicContact CB-CG2 4.4Å; V371-W420 WeakPolarHBondContact CB-O 3.46Å; V371-W420 HydrophobicContact CG1-CD2 4.14Å; V371-W420 HydrophobicContact CG1-CE3 3.93Å; V371-W420 HydrophobicContact CG1-CH2 3.9Å; V371-W420 HydrophobicContact CG1-CZ2 4.12Å; V371-W420 HydrophobicContact CG1-CZ3 3.79Å; V371-W420 HydrophobicContact CG2-CD2 4.04Å; V371-W420 HydrophobicContact CG2-CG 4.34Å; V371-W420 HydrophobicContact CG2-CZ2 3.96Å; V371-W420 WeakPolarHBondContact CG2-O 3.24Å
372C96.6Very high95.3Very high6 Ų645.8 Ų45.84%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-80.8124.5178.8-66.70000110.8A170 F354 V355 L380A170-C372 WeakPolarHBondContact O-CA 3.46Å; F354-C372 WeakPolarHBondContact CA-O 3.26Å; V355-C372 PolarHBondContact N-O 2.89Å; V355-C372 PolarHBondContact O-N 3.32Å; C372-L380 HydrophobicContact CB-CD2 3.9Å
373K97.4Very high95.5Very high62 Ų6240 Ų4027%0.2725%0.245SC..EExtended strand (participates in β ladder)trans-84.2128172.6177.6-175.8172.4-166.40110.4A170 T171 F172 F354A170-K373 PolarHBondContact O-N 3.48Å; T171-K373 HydrophobicContact CG2-CD 4.1Å; F172-K373 PolarHBondContact N-O 3.39Å; F354-K373 HydrophobicContact CD1-CB 3.97Å; F354-K373 HydrophobicContact CD1-CG 4.09Å; F354-K373 HydrophobicContact CE1-CB 3.97Å; F354-K373 HydrophobicContact CE1-CD 3.94Å; F354-K373 HydrophobicContact CE1-CG 3.66Å; F354-K373 HydrophobicContact CZ-CD 4.49Å; F354-K373 HydrophobicContact CZ-CG 4.29Å
374I97.8Very high95.6Very high0 Ų036.3 Ų36.30%023%0.229CC..EExtended strand (participates in β ladder)trans-111.5110.9172.5-49.8174.1000108.1A345 C347 S352 I353 V355 C378 L380A345-I374 HydrophobicContact CB-CD1 4.11Å; C347-I374 HydrophobicContact CB-CB 4.48Å; C347-I374 HydrophobicContact CB-CG2 3.82Å; S352-I374 WeakPolarHBondContact CA-O 3.43Å; S352-I374 WeakPolarHBondContact CB-O 3.29Å; I353-I374 HydrophobicContact CD1-CB 4.36Å; I353-I374 HydrophobicContact CD1-CD1 4.14Å; I353-I374 HydrophobicContact CG1-CB 3.77Å; I353-I374 HydrophobicContact CG1-CD1 4.18Å; I353-I374 HydrophobicContact CG1-CG1 4.37Å; I353-I374 HydrophobicContact CG1-CG2 4.43Å; I353-I374 PolarHBondContact N-O 3.28Å; I353-I374 VanDerWaalsContact N-O 3.08Å; I353-I374 PolarHBondContact O-N 3.12Å; V355-I374 HydrophobicContact CG2-CD1 3.56Å; V355-I374 HydrophobicContact CG2-CG1 4.27Å; I374-C378 HydrophobicContact CG2-CB 3.8Å; I374-C378 WeakPolarHBondContact CG2-O 3.39Å; I374-L380 HydrophobicContact CD1-CB 3.64Å; I374-L380 HydrophobicContact CD1-CD2 4.01Å; I374-L380 HydrophobicContact CD1-CG 4.46Å; I374-L380 HydrophobicContact CG1-CB 3.99Å; I374-L380 HydrophobicContact CG1-CD2 4.01Å
375P97.9Very high95.8Very high33 Ų3333.4 Ų33.421%0.21422%0.215CC..  trans-68.5163.3174.1-20.833.8000113.5F172 C347 G377 C378F172-P375 WeakPolarHBondContact O-CD 3.38Å; F172-P375 WeakPolarHBondContact O-CG 3.43Å; C347-P375 VanDerWaalsContact CB-O 3.29Å; C347-P375 WeakPolarHBondContact CB-O 3.33Å; P375-G377 PolarHBondContact O-N 3.21Å; P375-C378 VanDerWaalsContact O-CB 3.3Å; P375-C378 WeakPolarHBondContact O-CB 3.47Å; P375-C378 PolarHBondContact O-N 3.47Å
376S96.8Very high95.8Very high60 Ų6034.2 Ų34.242%0.4220%0.2SC..THydrogen-bonded Turntrans-52132.3173.4174.10000111.4S349 C378S349-S376 WeakPolarHBondContact O-CB 3.47Å; S349-S376 PolarHBondContact O-OG 3.02Å; S349-S376 VanDerWaalsContact O-OG 3.06Å; S376-C378 PolarHBondContact O-N 2.96Å
377G93.8Very high95.8Very high59 Ų5932.3 Ų32.361%0.60819%0.192SC*.THydrogen-bonded Turntrans74.73.7-178.700000115.5C347 P375C347-G377 PolarHBondContact O-N 3.39Å; P375-G377 PolarHBondContact O-N 3.21Å
378C96.4Very high95.9Very high30 Ų3029.5 Ų29.520%0.20318%0.179CC..  trans-94.9151.8173.1-61.20000111.3E346 C347 I374 P375 S376E346-C378 WeakPolarHBondContact CA-O 3.33Å; C347-C378 PolarHBondContact N-O 3.48Å; I374-C378 HydrophobicContact CG2-CB 3.8Å; I374-C378 WeakPolarHBondContact CG2-O 3.39Å; P375-C378 VanDerWaalsContact O-CB 3.3Å; P375-C378 WeakPolarHBondContact O-CB 3.47Å; P375-C378 PolarHBondContact O-N 3.47Å; S376-C378 PolarHBondContact O-N 2.96Å
379S95.9Very high95.9Very high35 Ų3527 Ų2725%0.24516%0.164CC..EExtended strand (participates in β ladder)trans-124.6142.2171.7-178.30000110.2Y337 A345Y337-S379 PolarHBondContact OH-OG 3.46Å; Y337-S379 VanDerWaalsContact OH-OG 3.13Å; A345-S379 WeakPolarHBondContact O-CA 3.49Å
380L96.6Very high95.9Very high10 Ų1029.9 Ų29.95%0.05217%0.173CC..EExtended strand (participates in β ladder)trans-127.9139.4177.9-178.763.1000109.7F172 Y344 A345 C372 I374 I382F172-L380 HydrophobicContact CD2-CD1 3.89Å; F172-L380 HydrophobicContact CE2-CD1 4.25Å; F172-L380 HydrophobicContact CG-CD1 4.48Å; Y344-L380 CarbonylContact C-O 3.58Å; Y344-L380 VanDerWaalsContact CA-O 3.29Å; Y344-L380 WeakPolarHBondContact CA-O 3.39Å; A345-L380 PolarHBondContact N-O 2.76Å; A345-L380 PolarHBondContact O-N 3.14Å; C372-L380 HydrophobicContact CB-CD2 3.9Å; I374-L380 HydrophobicContact CD1-CB 3.64Å; I374-L380 HydrophobicContact CD1-CD2 4.01Å; I374-L380 HydrophobicContact CD1-CG 4.46Å; I374-L380 HydrophobicContact CG1-CB 3.99Å; I374-L380 HydrophobicContact CG1-CD2 4.01Å; L380-I382 HydrophobicContact CB-CG2 4.42Å; L380-I382 HydrophobicContact CD2-CG2 4.39Å; L380-I382 HydrophobicContact CG-CG2 4.3Å; L380-I382 PolarHBondContact O-N 2.89Å
381K97.4Very high95.8Very high65 Ų6530.5 Ų30.528%0.28318%0.176SC..EExtended strand (participates in β ladder)trans-74.2113.3166.7-169.8-170.4-55.6-176.50108.4E342 Y344 C360 N384E342-K381 HydrophobicContact CB-CD 4.48Å; E342-K381 HydrophobicContact CG-CD 4.39Å; E342-K381 VanDerWaalsContact OE1-CE 3.22Å; E342-K381 WeakPolarHBondContact OE1-CE 3.19Å; E342-K381 IonicContact OE1-NZ 2.78Å; E342-K381 PolarHBondContact OE1-NZ 3.33Å; E342-K381 IonicContact OE2-NZ 3.67Å; Y344-K381 HydrophobicContact CD1-CB 4Å; Y344-K381 HydrophobicContact CD1-CG 4.49Å; Y344-K381 HydrophobicContact CE1-CB 3.74Å; Y344-K381 HydrophobicContact CE1-CG 4.14Å; Y344-K381 HydrophobicContact CE2-CG 4.35Å; Y344-K381 WeakPolarHBondContact OH-CE 3.44Å; C360-K381 PolarHBondContact SG-O 3.38Å; K381-N384 HydrophobicContact CD-CB 4.46Å
382I97.9Very high95.6Very high1 Ų130.5 Ų30.51%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-102.1-14.5-175.766.2170.9000113.2L336 V343 A345 V355 S357 L380 L412L336-I382 HydrophobicContact CD2-CD1 4.03Å; V343-I382 HydrophobicContact CB-CG1 4.11Å; V343-I382 HydrophobicContact CG1-CD1 3.94Å; V343-I382 HydrophobicContact CG1-CG1 3.82Å; V343-I382 WeakPolarHBondContact O-CG1 3.22Å; V343-I382 PolarHBondContact O-N 3.41Å; A345-I382 HydrophobicContact CB-CD1 4.09Å; A345-I382 HydrophobicContact CB-CG2 3.97Å; V355-I382 HydrophobicContact CG1-CG2 4.07Å; S357-I382 WeakPolarHBondContact CB-O 3.19Å; S357-I382 PolarHBondContact OG-O 3.18Å; L380-I382 HydrophobicContact CB-CG2 4.42Å; L380-I382 HydrophobicContact CD2-CG2 4.39Å; L380-I382 HydrophobicContact CG-CG2 4.3Å; L380-I382 PolarHBondContact O-N 2.89Å; I382-L412 HydrophobicContact CB-CD1 4.35Å; I382-L412 HydrophobicContact CD1-CD1 3.62Å; I382-L412 HydrophobicContact CG1-CD1 3.91Å
383F98.1Very high95.3Very high1 Ų132.1 Ų32.10%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-152150.1171.4-158.3-95.9000113E342 V343 N359 N385 F388 M409 L412 L440 P443E342-F383 CarbonylContact C-O 3.55Å; E342-F383 WeakPolarHBondContact CA-O 3.34Å; V343-F383 HydrophobicContact CB-CB 3.81Å; V343-F383 HydrophobicContact CG2-CB 3.95Å; V343-F383 PolarHBondContact N-O 2.85Å; V343-F383 PolarHBondContact O-N 3.45Å; V343-F383 VanDerWaalsContact O-N 3.07Å; N359-F383 HydrophobicContact CB-CD2 3.58Å; N359-F383 HydrophobicContact CB-CE2 3.71Å; N359-F383 HydrophobicContact CB-CG 4.45Å; N359-F383 WeakPolarHBondContact OD1-CA 3.48Å; F383-N385 VanDerWaalsContact CE1-OD1 3.31Å; F383-N385 WeakPolarHBondContact CE1-OD1 3.25Å; F383-F388 HydrophobicContact CE1-CB 3.86Å; F383-F388 HydrophobicContact CE1-CG 4.26Å; F383-F388 HydrophobicContact CE2-CD2 4.47Å; F383-F388 HydrophobicContact CZ-CB 3.65Å; F383-F388 AromaticContact CZ-CD2 3.76Å; F383-F388 HydrophobicContact CZ-CD2 3.76Å; F383-F388 AromaticContact CZ-CG 3.72Å; F383-F388 HydrophobicContact CZ-CG 3.72Å; F383-M409 WeakPolarHBondContact CE2-O 3.21Å; F383-L412 HydrophobicContact CD2-CD2 4.23Å; F383-L440 HydrophobicContact CB-CD1 3.76Å; F383-L440 HydrophobicContact CD1-CD1 3.63Å; F383-L440 HydrophobicContact CD2-CD1 3.43Å; F383-L440 VanDerWaalsContact CD2-CD1 3.43Å; F383-L440 HydrophobicContact CE1-CD1 4.02Å; F383-L440 HydrophobicContact CE2-CD1 3.82Å; F383-L440 HydrophobicContact CG-CD1 3.31Å; F383-L440 HydrophobicContact CZ-CD1 4.09Å; F383-P443 HydrophobicContact CD1-CG 4.42Å; F383-P443 HydrophobicContact CE1-CB 4.26Å; F383-P443 HydrophobicContact CE1-CG 3.49Å; F383-P443 VanDerWaalsContact CE1-CG 3.49Å; F383-P443 HydrophobicContact CZ-CB 3.98Å; F383-P443 HydrophobicContact CZ-CG 3.7Å
384N96.2Very high95Very high17 Ų1734.1 Ų34.19%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-135.9117.2171-178.7-4.9000111.2N359 K381 Q386 E387 F388N359-N384 PolarHBondContact OD1-N 3.08Å; K381-N384 HydrophobicContact CD-CB 4.46Å; N384-Q386 VanDerWaalsContact C-N 3.3Å; N384-Q386 PolarHBondContact O-N 3.44Å; N384-Q386 WeakPolarHBondContact OD1-CB 3.24Å; N384-Q386 PolarHBondContact OD1-N 3.2Å; N384-E387 HydrophobicContact CB-CB 4.19Å; N384-E387 PolarHBondContact O-N 2.9Å; N384-F388 PolarHBondContact O-N 3.18Å; N384-F388 VanDerWaalsContact O-N 3.11Å
385N94.3Very high94.7Very high5 Ų534.8 Ų34.83%0.02720%0.204CC..Hα-helixtrans-63.5-29.5179.2-73.6-11.1000113.6L135 Y265 Y338 G341 F383 A389L135-N385 HydrophobicContact CD1-CB 3.81Å; L135-N385 HydrophobicContact CD2-CB 4.5Å; Y265-N385 PolarHBondContact OH-ND2 3.2Å; Y338-N385 PolarHBondContact OH-ND2 3.38Å; G341-N385 VanDerWaalsContact O-CB 3.22Å; G341-N385 WeakPolarHBondContact O-CB 3.46Å; G341-N385 PolarHBondContact O-N 3.39Å; F383-N385 VanDerWaalsContact CE1-OD1 3.31Å; F383-N385 WeakPolarHBondContact CE1-OD1 3.25Å; N385-A389 WeakPolarHBondContact O-CB 3.48Å; N385-A389 PolarHBondContact O-N 3.49Å
386Q93.1Very high94.2Very high88 Ų8833.6 Ų33.641%0.41120%0.196SC..Hα-helixtrans-68.4-40.3178.3-66.5-172.6-34.600112P133 L135 N384 A389 Q390P133-Q386 HydrophobicContact CG-CG 3.98Å; L135-Q386 HydrophobicContact CD2-CB 4.48Å; L135-Q386 HydrophobicContact CD2-CG 3.77Å; N384-Q386 VanDerWaalsContact C-N 3.3Å; N384-Q386 PolarHBondContact O-N 3.44Å; N384-Q386 WeakPolarHBondContact OD1-CB 3.24Å; N384-Q386 PolarHBondContact OD1-N 3.2Å; Q386-A389 WeakPolarHBondContact O-CB 3.36Å; Q386-A389 PolarHBondContact O-N 3.47Å; Q386-Q390 WeakPolarHBondContact O-CG 3.4Å; Q386-Q390 PolarHBondContact O-N 3.35Å; Q386-Q390 VanDerWaalsContact O-N 3.07Å
387E93.7Very high93.7Very high24 Ų2435.9 Ų35.911%0.11220%0.204CC..Hα-helixtrans-71.9-39.5178.4-175.5171.9-121.400111N359 Y362 H363 N384 A389 Q390 L391N359-E387 PolarHBondContact ND2-OE2 3.06Å; Y362-E387 HydrophobicContact CD1-CG 4.27Å; Y362-E387 HydrophobicContact CE1-CG 4.44Å; H363-E387 WeakPolarHBondContact CA-OE1 3.31Å; H363-E387 WeakPolarHBondContact CB-OE1 3.5Å; H363-E387 IonicContact CE1-OE1 3.82Å; H363-E387 IonicContact CG-OE1 3.17Å; H363-E387 IonicContact CG-OE2 3.47Å; H363-E387 IonicContact ND1-OE1 3.44Å; H363-E387 PolarHBondContact ND1-OE1 2.88Å; H363-E387 IonicContact ND1-OE2 2.72Å; N384-E387 HydrophobicContact CB-CB 4.19Å; N384-E387 PolarHBondContact O-N 2.9Å; E387-A389 VanDerWaalsContact C-N 3.34Å; E387-A389 PolarHBondContact O-N 2.9Å; E387-Q390 PolarHBondContact O-N 2.83Å; E387-L391 WeakPolarHBondContact O-CG 3.35Å; E387-L391 PolarHBondContact O-N 2.83Å
388F95.8Very high93.2Very high1 Ų135.6 Ų35.60%0.00419%0.187CC..Hα-helixtrans-60.8-40.8169.6-177.6-98.3000112.4F383 N384 Q390 L391 L392 L406 M409 C410 P443 W446 L447F383-F388 HydrophobicContact CE1-CB 3.86Å; F383-F388 HydrophobicContact CE1-CG 4.26Å; F383-F388 HydrophobicContact CE2-CD2 4.47Å; F383-F388 HydrophobicContact CZ-CB 3.65Å; F383-F388 AromaticContact CZ-CD2 3.76Å; F383-F388 HydrophobicContact CZ-CD2 3.76Å; F383-F388 AromaticContact CZ-CG 3.72Å; F383-F388 HydrophobicContact CZ-CG 3.72Å; N384-F388 PolarHBondContact O-N 3.18Å; N384-F388 VanDerWaalsContact O-N 3.11Å; F388-Q390 PolarHBondContact O-N 3.1Å; F388-L391 PolarHBondContact O-N 2.72Å; F388-L392 HydrophobicContact CE1-CD2 3.97Å; F388-L392 HydrophobicContact CZ-CD2 4.48Å; F388-L392 VanDerWaalsContact O-CB 3.28Å; F388-L392 WeakPolarHBondContact O-CB 3.28Å; F388-L392 PolarHBondContact O-N 2.88Å; F388-L406 HydrophobicContact CE2-CB 4.25Å; F388-M409 HydrophobicContact CD2-CB 4.2Å; F388-M409 HydrophobicContact CE2-CB 4.1Å; F388-C410 VanDerWaalsContact CE2-SG 3.57Å; F388-P443 HydrophobicContact CD1-CB 3.97Å; F388-P443 HydrophobicContact CE1-CB 3.73Å; F388-P443 HydrophobicContact CE2-CB 4.38Å; F388-P443 HydrophobicContact CG-CB 4.41Å; F388-P443 HydrophobicContact CZ-CB 3.95Å; F388-W446 HydrophobicContact CD1-CE3 4.47Å; F388-L447 HydrophobicContact CZ-CB 4.41Å
389A92.8Very high92.7Very high6 Ų635.3 Ų35.35%0.0519%0.189CC..Hα-helixtrans-60.2-44.6175.600000112.3N385 Q386 E387 L392 A393 W446N385-A389 WeakPolarHBondContact O-CB 3.48Å; N385-A389 PolarHBondContact O-N 3.49Å; Q386-A389 WeakPolarHBondContact O-CB 3.36Å; Q386-A389 PolarHBondContact O-N 3.47Å; E387-A389 VanDerWaalsContact C-N 3.34Å; E387-A389 PolarHBondContact O-N 2.9Å; A389-L392 PolarHBondContact O-N 3.12Å; A389-A393 WeakPolarHBondContact O-CB 3.2Å; A389-A393 PolarHBondContact O-N 2.84Å; A389-W446 HydrophobicContact CB-CH2 3.49Å; A389-W446 VanDerWaalsContact CB-CH2 3.49Å; A389-W446 HydrophobicContact CB-CZ3 3.52Å
390Q92.6Very high92.2Very high118 Ų11835.9 Ų35.955%0.55119%0.187SC*.Hα-helixtrans-63.8-45.7177.8-71.1169.71000111.4Q386 E387 F388 A393 Q394Q386-Q390 WeakPolarHBondContact O-CG 3.4Å; Q386-Q390 PolarHBondContact O-N 3.35Å; Q386-Q390 VanDerWaalsContact O-N 3.07Å; E387-Q390 PolarHBondContact O-N 2.83Å; F388-Q390 PolarHBondContact O-N 3.1Å; Q390-A393 PolarHBondContact O-N 2.89Å; Q390-Q394 VanDerWaalsContact O-CG 3.24Å; Q390-Q394 WeakPolarHBondContact O-CG 3.48Å; Q390-Q394 PolarHBondContact O-N 2.8Å
391L93.3Very high91.8Very high19 Ų1940.7 Ų40.710%0.09921%0.209CC..Hα-helixtrans-62-45.9175.7-75.2171.7000111.9Y362 E387 F388 A393 Q394 S395 M409Y362-L391 HydrophobicContact CD1-CD1 3.96Å; Y362-L391 HydrophobicContact CE1-CD1 4.06Å; Y362-L391 HydrophobicContact CE1-CD2 4.04Å; Y362-L391 HydrophobicContact CE1-CG 4.3Å; Y362-L391 HydrophobicContact CE2-CD2 3.99Å; Y362-L391 HydrophobicContact CG-CD1 4.24Å; E387-L391 WeakPolarHBondContact O-CG 3.35Å; E387-L391 PolarHBondContact O-N 2.83Å; F388-L391 PolarHBondContact O-N 2.72Å; L391-A393 PolarHBondContact O-N 3.16Å; L391-Q394 PolarHBondContact O-N 2.86Å; L391-S395 WeakPolarHBondContact O-CB 3.28Å; L391-S395 PolarHBondContact O-N 3.28Å; L391-S395 PolarHBondContact O-OG 2.88Å; L391-S395 VanDerWaalsContact O-OG 3.08Å; L391-M409 HydrophobicContact CD1-CE 3.49Å; L391-M409 VanDerWaalsContact CD1-CE 3.49Å
392L93.8Very high91.3Very high0 Ų039.4 Ų39.40%021%0.207CC..Hα-helixtrans-60.2-46.9177.9-178.754.3000111.8V138 F388 A389 Q394 S395 V396 V403 L406 W446 L447 V450V138-L392 HydrophobicContact CG1-CG 4.44Å; V138-L392 HydrophobicContact CG2-CB 4.37Å; V138-L392 HydrophobicContact CG2-CD2 3.99Å; V138-L392 HydrophobicContact CG2-CG 3.88Å; F388-L392 HydrophobicContact CE1-CD2 3.97Å; F388-L392 HydrophobicContact CZ-CD2 4.48Å; F388-L392 VanDerWaalsContact O-CB 3.28Å; F388-L392 WeakPolarHBondContact O-CB 3.28Å; F388-L392 PolarHBondContact O-N 2.88Å; A389-L392 PolarHBondContact O-N 3.12Å; L392-Q394 VanDerWaalsContact C-N 3.3Å; L392-Q394 PolarHBondContact O-N 2.87Å; L392-S395 PolarHBondContact O-N 3.32Å; L392-V396 WeakPolarHBondContact O-CG2 3.43Å; L392-V396 PolarHBondContact O-N 2.87Å; L392-V403 HydrophobicContact CD1-CG1 3.86Å; L392-L406 HydrophobicContact CB-CD1 4.18Å; L392-L406 HydrophobicContact CD1-CD1 3.84Å; L392-W446 HydrophobicContact CD2-CD2 4.02Å; L392-W446 HydrophobicContact CD2-CE3 4.37Å; L392-W446 HydrophobicContact CD2-CG 4.06Å; L392-L447 HydrophobicContact CD1-CD1 3.55Å; L392-V450 HydrophobicContact CD1-CB 4.38Å; L392-V450 HydrophobicContact CD1-CG1 4.11Å; L392-V450 HydrophobicContact CD1-CG2 4.43Å; L392-V450 HydrophobicContact CD2-CG2 4.16Å; L392-V450 HydrophobicContact CG-CG2 4.41Å
393A90.8Very high91Very high40 Ų4039.3 Ų39.333%0.33121%0.207SC..Hα-helixtrans-62.5-34.7176.500000113.1V138 A389 Q390 L391 N397V138-A393 HydrophobicContact CG2-CB 4.35Å; A389-A393 WeakPolarHBondContact O-CB 3.2Å; A389-A393 PolarHBondContact O-N 2.84Å; Q390-A393 PolarHBondContact O-N 2.89Å; L391-A393 PolarHBondContact O-N 3.16Å; A393-N397 PolarHBondContact O-ND2 2.79Å
394Q90.2Very high90.6Very high105 Ų10545.5 Ų45.549%0.49123%0.231SC..Hα-helixtrans-71.7-46.7174-70.716924.300111.6Q390 L391 L392 V396 N397 H398Q390-Q394 VanDerWaalsContact O-CG 3.24Å; Q390-Q394 WeakPolarHBondContact O-CG 3.48Å; Q390-Q394 PolarHBondContact O-N 2.8Å; L391-Q394 PolarHBondContact O-N 2.86Å; L392-Q394 VanDerWaalsContact C-N 3.3Å; L392-Q394 PolarHBondContact O-N 2.87Å; Q394-V396 VanDerWaalsContact C-N 3.32Å; Q394-V396 PolarHBondContact O-N 2.89Å; Q394-N397 PolarHBondContact O-N 2.76Å; Q394-H398 PolarHBondContact O-ND1 2.77Å
395S90.6Very high90.4Very high13 Ų1348.5 Ų48.59%0.09124%0.244CC..Hα-helixtrans-63.9-29.7-175.8-66.80000113.9L391 L392 N397 H398 G399 V403L391-S395 WeakPolarHBondContact O-CB 3.28Å; L391-S395 PolarHBondContact O-N 3.28Å; L391-S395 PolarHBondContact O-OG 2.88Å; L391-S395 VanDerWaalsContact O-OG 3.08Å; L392-S395 PolarHBondContact O-N 3.32Å; S395-N397 PolarHBondContact O-N 3.01Å; S395-H398 CarbonylContact O-C 3.56Å; S395-H398 WeakPolarHBondContact O-CA 3.38Å; S395-H398 WeakPolarHBondContact O-CB 3.17Å; S395-H398 PolarHBondContact O-N 3.22Å; S395-G399 PolarHBondContact O-N 3.39Å; S395-V403 VanDerWaalsContact C-CG2 3.44Å; S395-V403 WeakPolarHBondContact O-CG2 3.33Å
396V89.1Confident90.3Very high8 Ų848.9 Ų48.95%0.04825%0.246CC..Hα-helixtrans-54.2-42175.2167.10000111.9V138 V140 L392 Q394 H398 G399 V403 V450 M454V138-V396 HydrophobicContact CG1-CG2 3.76Å; V140-V396 HydrophobicContact CG1-CG1 4.48Å; V140-V396 HydrophobicContact CG2-CG1 4.39Å; V140-V396 HydrophobicContact CG2-CG2 4.45Å; L392-V396 WeakPolarHBondContact O-CG2 3.43Å; L392-V396 PolarHBondContact O-N 2.87Å; Q394-V396 VanDerWaalsContact C-N 3.32Å; Q394-V396 PolarHBondContact O-N 2.89Å; V396-H398 PolarHBondContact O-N 2.87Å; V396-G399 PolarHBondContact O-N 3.28Å; V396-V403 HydrophobicContact CG2-CG2 4.14Å; V396-V450 HydrophobicContact CG2-CG1 3.51Å; V396-M454 HydrophobicContact CG1-CE 4.32Å; V396-M454 HydrophobicContact CG1-SD 4.41Å; V396-M454 HydrophobicContact CG2-SD 4.07Å; V396-M454 WeakPolarHBondContact O-CE 3.36Å
397N84.8Confident90.4Very high108 Ų10846.8 Ų46.858%0.57824%0.24SC*.THydrogen-bonded Turntrans-70.5-10.4178.6-58.2-74.4000113.5A393 Q394 S395A393-N397 PolarHBondContact O-ND2 2.79Å; Q394-N397 PolarHBondContact O-N 2.76Å; S395-N397 PolarHBondContact O-N 3.01Å
398H84Confident90.4Very high54 Ų5449.9 Ų49.925%0.2525%0.253CS..THydrogen-bonded Turntrans-104.67.6179.3-61.587.6000112.9L152 Q394 S395 V396 T402L152-H398 WeakPolarHBondContact CD1-NE2 3.38Å; Q394-H398 PolarHBondContact O-ND1 2.77Å; S395-H398 CarbonylContact O-C 3.56Å; S395-H398 WeakPolarHBondContact O-CA 3.38Å; S395-H398 WeakPolarHBondContact O-CB 3.17Å; S395-H398 PolarHBondContact O-N 3.22Å; V396-H398 PolarHBondContact O-N 2.87Å; H398-T402 HydrophobicContact CB-CG2 3.93Å; H398-T402 PolarHBondContact O-OG1 2.72Å
399G85Confident90.3Very high24 Ų2450.6 Ų50.625%0.24726%0.256CS..  trans86.2171.1172.100000115.6S395 V396 E401 T402 V403S395-G399 PolarHBondContact O-N 3.39Å; V396-G399 PolarHBondContact O-N 3.28Å; G399-E401 PolarHBondContact O-N 3.09Å; G399-T402 PolarHBondContact O-N 3.41Å; G399-V403 PolarHBondContact O-N 3.47Å
400F86.9Confident90.5Very high46 Ų4650.3 Ų50.320%0.20225%0.254CS..Hα-helixtrans-54.8-46.5-167.8-173.8-79.8000113.9T402 V403 Y404 L451 M454 G455 P457F400-T402 VanDerWaalsContact C-N 3.31Å; F400-T402 PolarHBondContact O-N 3.06Å; F400-V403 PolarHBondContact O-N 3.05Å; F400-Y404 HydrophobicContact CE1-CD2 4.16Å; F400-Y404 HydrophobicContact CE1-CG 4.29Å; F400-Y404 WeakPolarHBondContact O-CB 3.09Å; F400-Y404 PolarHBondContact O-N 3.48Å; F400-L451 HydrophobicContact CD2-CD2 4Å; F400-L451 HydrophobicContact CE1-CD2 4.31Å; F400-L451 HydrophobicContact CE2-CB 4.41Å; F400-L451 HydrophobicContact CE2-CD2 3.74Å; F400-L451 HydrophobicContact CG-CD2 4.4Å; F400-L451 HydrophobicContact CZ-CD2 3.91Å; F400-M454 HydrophobicContact CD2-CB 4.19Å; F400-G455 WeakPolarHBondContact CD2-O 3.33Å; F400-G455 WeakPolarHBondContact CE2-O 3.12Å; F400-P457 HydrophobicContact CD1-CG 3.78Å; F400-P457 HydrophobicContact CE1-CG 3.69Å; F400-P457 HydrophobicContact CG-CG 4.48Å; F400-P457 HydrophobicContact CZ-CG 4.31Å
401E87.4Confident90.8Very high111 Ų11146.1 Ų46.152%0.51924%0.236SC..Hα-helixtrans-61.2-39.2-176.5-63.8-179.3-178.700111.9G399 Y404 E405 N459G399-E401 PolarHBondContact O-N 3.09Å; E401-Y404 PolarHBondContact O-N 3.32Å; E401-E405 PolarHBondContact O-N 2.96Å; E401-N459 PolarHBondContact OE1-ND2 3.43Å
402T87.9Confident91Very high38 Ų3845.2 Ų45.223%0.23323%0.231CC..Hα-helixtrans-65.5-40.4177.8-48.60000111.6H398 G399 F400H398-T402 HydrophobicContact CB-CG2 3.93Å; H398-T402 PolarHBondContact O-OG1 2.72Å; G399-T402 PolarHBondContact O-N 3.41Å; F400-T402 VanDerWaalsContact C-N 3.31Å; F400-T402 PolarHBondContact O-N 3.06Å
403V91Very high91.2Very high0 Ų049.5 Ų49.50%025%0.248CC..Hα-helixtrans-70.1-41.5175.2179.70000110.5L392 S395 V396 G399 F400 E405 L406 L447 V450 L451 M454L392-V403 HydrophobicContact CD1-CG1 3.86Å; S395-V403 VanDerWaalsContact C-CG2 3.44Å; S395-V403 WeakPolarHBondContact O-CG2 3.33Å; V396-V403 HydrophobicContact CG2-CG2 4.14Å; G399-V403 PolarHBondContact O-N 3.47Å; F400-V403 PolarHBondContact O-N 3.05Å; V403-E405 VanDerWaalsContact C-N 3.32Å; V403-E405 PolarHBondContact O-N 3.18Å; V403-L406 VanDerWaalsContact O-CB 3.24Å; V403-L406 WeakPolarHBondContact O-CB 3.45Å; V403-L406 PolarHBondContact O-N 3.19Å; V403-L447 HydrophobicContact CG1-CD1 3.47Å; V403-L447 VanDerWaalsContact CG1-CD1 3.47Å; V403-V450 HydrophobicContact CG1-CG1 4.14Å; V403-L451 HydrophobicContact CB-CD2 3.93Å; V403-L451 HydrophobicContact CG1-CD2 3.59Å; V403-L451 HydrophobicContact CG1-CG 3.88Å; V403-M454 HydrophobicContact CB-SD 4.11Å; V403-M454 HydrophobicContact CG1-SD 4.26Å; V403-M454 HydrophobicContact CG2-CE 3.97Å; V403-M454 HydrophobicContact CG2-SD 3.69Å
404Y89.9Confident91.6Very high130 Ų13047.6 Ų47.651%0.5123%0.232SC..Hα-helixtrans-61.2-37.4179.1-173-99.1000112.8F400 E401 L406 T407 L451F400-Y404 HydrophobicContact CE1-CD2 4.16Å; F400-Y404 HydrophobicContact CE1-CG 4.29Å; F400-Y404 WeakPolarHBondContact O-CB 3.09Å; F400-Y404 PolarHBondContact O-N 3.48Å; E401-Y404 PolarHBondContact O-N 3.32Å; Y404-L406 PolarHBondContact O-N 3.43Å; Y404-T407 VanDerWaalsContact O-CB 3.25Å; Y404-T407 WeakPolarHBondContact O-CB 3.24Å; Y404-T407 PolarHBondContact O-N 3.32Å; Y404-T407 VanDerWaalsContact O-N 3.08Å; Y404-T407 PolarHBondContact O-OG1 3.24Å; Y404-L451 HydrophobicContact CD2-CD1 4.21Å
405E91.1Very high92Very high80 Ų8042.6 Ų42.637%0.37421%0.209SC..Hα-helixtrans-59.7-26.7172.5-83.7-62.3127.700113.7R358 E401 V403 T407 K408R358-E405 IonicContact NH1-OE2 3.9Å; R358-E405 PolarHBondContact NH1-OE2 2.8Å; E401-E405 PolarHBondContact O-N 2.96Å; V403-E405 VanDerWaalsContact C-N 3.32Å; V403-E405 PolarHBondContact O-N 3.18Å; E405-T407 PolarHBondContact O-N 2.83Å; E405-T407 VanDerWaalsContact O-N 3.15Å; E405-K408 WeakPolarHBondContact O-CB 3.48Å; E405-K408 PolarHBondContact O-N 2.91Å; E405-K408 WeakPolarHBondContact OE1-CE 3.18Å; E405-K408 IonicContact OE1-NZ 2.75Å; E405-K408 PolarHBondContact OE1-NZ 3.18Å; E405-K408 WeakPolarHBondContact OE2-CD 3.42Å; E405-K408 WeakPolarHBondContact OE2-CE 3.33Å; E405-K408 IonicContact OE2-NZ 3.01Å; E405-K408 PolarHBondContact OE2-NZ 3.31Å
406L93.6Very high92.4Very high14 Ų1442 Ų427%0.07320%0.204CC..G310 helixtrans-64-16.2175.7-60.5177.6000112.8F388 L392 V403 Y404 K408 M409 L447F388-L406 HydrophobicContact CE2-CB 4.25Å; L392-L406 HydrophobicContact CB-CD1 4.18Å; L392-L406 HydrophobicContact CD1-CD1 3.84Å; V403-L406 VanDerWaalsContact O-CB 3.24Å; V403-L406 WeakPolarHBondContact O-CB 3.45Å; V403-L406 PolarHBondContact O-N 3.19Å; Y404-L406 PolarHBondContact O-N 3.43Å; L406-K408 PolarHBondContact O-N 3.28Å; L406-K408 VanDerWaalsContact O-N 3.15Å; L406-M409 HydrophobicContact CB-CG 4.37Å; L406-M409 HydrophobicContact CD2-CG 3.89Å; L406-M409 WeakPolarHBondContact O-CA 3.42Å; L406-M409 WeakPolarHBondContact O-CB 3.39Å; L406-M409 PolarHBondContact O-N 3.25Å; L406-L447 HydrophobicContact CB-CD1 3.95Å; L406-L447 HydrophobicContact CB-CD2 4.25Å; L406-L447 HydrophobicContact CD1-CD1 4.33Å
407T94.2Very high92.8Very high44 Ų4442.8 Ų42.827%0.2721%0.209SC..G310 helixtrans-53-36.5170.3-50.40000110.9Y404 E405 M409 C410 L444 L447Y404-T407 VanDerWaalsContact O-CB 3.25Å; Y404-T407 WeakPolarHBondContact O-CB 3.24Å; Y404-T407 PolarHBondContact O-N 3.32Å; Y404-T407 VanDerWaalsContact O-N 3.08Å; Y404-T407 PolarHBondContact O-OG1 3.24Å; E405-T407 PolarHBondContact O-N 2.83Å; E405-T407 VanDerWaalsContact O-N 3.15Å; T407-M409 VanDerWaalsContact C-N 3.25Å; T407-M409 PolarHBondContact O-N 2.83Å; T407-C410 PolarHBondContact O-N 2.89Å; T407-L444 HydrophobicContact CG2-CD2 4.07Å; T407-L447 VanDerWaalsContact N-CD2 3.3Å; T407-L447 WeakPolarHBondContact OG1-CD2 3.27Å
408K93.9Very high93.4Very high89 Ų8941.6 Ų41.639%0.38720%0.199SC..G310 helixtrans-76.7-7.3179.1-55177.1-166.5163.40113.5R358 E405 L406R358-K408 WeakPolarHBondContact CD-O 3.48Å; E405-K408 WeakPolarHBondContact O-CB 3.48Å; E405-K408 PolarHBondContact O-N 2.91Å; E405-K408 WeakPolarHBondContact OE1-CE 3.18Å; E405-K408 IonicContact OE1-NZ 2.75Å; E405-K408 PolarHBondContact OE1-NZ 3.18Å; E405-K408 WeakPolarHBondContact OE2-CD 3.42Å; E405-K408 WeakPolarHBondContact OE2-CE 3.33Å; E405-K408 IonicContact OE2-NZ 3.01Å; E405-K408 PolarHBondContact OE2-NZ 3.31Å; L406-K408 PolarHBondContact O-N 3.28Å; L406-K408 VanDerWaalsContact O-N 3.15Å
409M94.4Very high94Very high15 Ų1539.3 Ų39.37%0.07419%0.19CC..G310 helixtrans-78.9-34.4167.9-58-79.4-73.700111R358 N359 F383 F388 L391 L406 T407 T411R358-M409 HydrophobicContact CB-CG 4.47Å; R358-M409 HydrophobicContact CB-SD 3.35Å; R358-M409 WeakPolarHBondContact CB-SD 3.27Å; R358-M409 HydrophobicContact CG-SD 4.44Å; N359-M409 HydrophobicContact CB-CE 3.92Å; F383-M409 WeakPolarHBondContact CE2-O 3.21Å; F388-M409 HydrophobicContact CD2-CB 4.2Å; F388-M409 HydrophobicContact CE2-CB 4.1Å; L391-M409 HydrophobicContact CD1-CE 3.49Å; L391-M409 VanDerWaalsContact CD1-CE 3.49Å; L406-M409 HydrophobicContact CB-CG 4.37Å; L406-M409 HydrophobicContact CD2-CG 3.89Å; L406-M409 WeakPolarHBondContact O-CA 3.42Å; L406-M409 WeakPolarHBondContact O-CB 3.39Å; L406-M409 PolarHBondContact O-N 3.25Å; T407-M409 VanDerWaalsContact C-N 3.25Å; T407-M409 PolarHBondContact O-N 2.83Å; M409-T411 VanDerWaalsContact C-N 3.3Å; M409-T411 PolarHBondContact O-N 2.96Å
410C96.9Very high94.6Very high0 Ų038.4 Ų38.40%018%0.179CC..SBendtrans-79.5-11.7-175.5-490000113.7F388 T407 L440 P443 L444F388-C410 VanDerWaalsContact CE2-SG 3.57Å; T407-C410 PolarHBondContact O-N 2.89Å; C410-L440 PolarHBondContact O-N 2.78Å; C410-P443 HydrophobicContact CB-CB 4.17Å; C410-P443 VanDerWaalsContact SG-CB 3.51Å; C410-L444 HydrophobicContact CB-CD2 3.62Å; C410-L444 HydrophobicContact CB-CG 3.63Å
411T97.5Very high94.9Very high30 Ų3036.4 Ų36.418%0.18417%0.171CC..EExtended strand (participates in β ladder)trans-103.6117174.5-60.20000110.2M409 E437 I438 H439M409-T411 VanDerWaalsContact C-N 3.3Å; M409-T411 PolarHBondContact O-N 2.96Å; T411-E437 HydrophobicContact CG2-CG 3.42Å; T411-E437 VanDerWaalsContact CG2-CG 3.42Å; T411-I438 CarbonylContact C-O 3.16Å; T411-I438 WeakPolarHBondContact CA-O 3.49Å; T411-H439 PolarHBondContact OG1-CD2 3.05Å; T411-H439 PolarHBondContact OG1-NE2 3.15Å
412L98.3Very high94.8Very high0 Ų032.5 Ų32.50%016%0.158CC..EExtended strand (participates in β ladder)trans-106.2145.9177.5-39.6-176.3000109.8I382 F383 I438 L440I382-L412 HydrophobicContact CB-CD1 4.35Å; I382-L412 HydrophobicContact CD1-CD1 3.62Å; I382-L412 HydrophobicContact CG1-CD1 3.91Å; F383-L412 HydrophobicContact CD2-CD2 4.23Å; L412-I438 HydrophobicContact CB-CB 4.27Å; L412-I438 PolarHBondContact N-O 3.05Å; L412-I438 PolarHBondContact O-N 3.34Å; L412-L440 HydrophobicContact CD1-CD1 4.18Å; L412-L440 HydrophobicContact CD1-CG 4.5Å; L412-L440 HydrophobicContact CG-CD1 4.42Å
413R98.6Very high94.5Very high90 Ų9035.2 Ų35.234%0.3417%0.168SC..EExtended strand (participates in β ladder)trans-122.5135-179.4-70.2174.3166.9176.2-2.2110.7V355 Q356 W420 W435 E437V355-R413 WeakPolarHBondContact CA-O 3.29Å; Q356-R413 HydrophobicContact CB-CB 4.38Å; Q356-R413 PolarHBondContact N-O 3.06Å; Q356-R413 PolarHBondContact O-N 3.08Å; R413-W420 HydrophobicContact CB-CH2 4.44Å; R413-W420 HydrophobicContact CB-CZ2 4.22Å; R413-W435 HydrophobicContact CG-CZ3 4.14Å; R413-E437 HydrophobicContact CG-CG 4.2Å; R413-E437 IonicContact CZ-OE2 2.73Å; R413-E437 IonicContact NE-OE2 3.89Å; R413-E437 PolarHBondContact NE-OE2 3.15Å; R413-E437 IonicContact NH2-OE2 2.87Å; R413-E437 PolarHBondContact NH2-OE2 2.87Å
414M98.7Very high94.5Very high0 Ų038 Ų380%018%0.179CC..EExtended strand (participates in β ladder)trans-140.3124.6-178178.9-174-53.900112.4V334 L336 A345 I353 F354 V355 W435 I436 I438V334-M414 HydrophobicContact CB-SD 3.97Å; V334-M414 HydrophobicContact CG1-SD 3.75Å; V334-M414 HydrophobicContact CG2-CE 4.02Å; V334-M414 HydrophobicContact CG2-SD 3.84Å; L336-M414 HydrophobicContact CD2-CE 3.97Å; A345-M414 HydrophobicContact CB-CE 3.75Å; I353-M414 HydrophobicContact CB-CG 4.34Å; I353-M414 HydrophobicContact CB-SD 4.36Å; I353-M414 HydrophobicContact CD1-CE 4.42Å; I353-M414 HydrophobicContact CD1-SD 3.89Å; F354-M414 CarbonylContact O-C 3.42Å; F354-M414 WeakPolarHBondContact O-CA 3.22Å; V355-M414 HydrophobicContact CG2-CB 4.42Å; V355-M414 HydrophobicContact CG2-CE 3.79Å; V355-M414 HydrophobicContact CG2-CG 4.03Å; V355-M414 HydrophobicContact CG2-SD 4.48Å; M414-W435 CarbonylContact O-C 3.54Å; M414-W435 WeakPolarHBondContact O-CA 3.28Å; M414-W435 VanDerWaalsContact O-CB 3.26Å; M414-W435 WeakPolarHBondContact O-CB 3.47Å; M414-I436 HydrophobicContact CB-CD1 4.43Å; M414-I436 HydrophobicContact CB-CG1 3.92Å; M414-I436 PolarHBondContact N-O 2.98Å; M414-I436 PolarHBondContact O-N 3.24Å; M414-I436 HydrophobicContact SD-CD1 4.23Å; M414-I438 HydrophobicContact CE-CD1 4.3Å
415S98.7Very high94.6Very high0 Ų040.4 Ų40.40%020%0.195CC..EExtended strand (participates in β ladder)trans-104.5145.7174.4-166.70000112I353 F354 K418 T432 C434I353-S415 WeakPolarHBondContact CA-O 3.26Å; F354-S415 PolarHBondContact N-O 3.23Å; F354-S415 PolarHBondContact O-N 3.49Å; S415-K418 WeakPolarHBondContact CB-O 3.42Å; S415-K418 PolarHBondContact OG-O 3.42Å; S415-K418 VanDerWaalsContact OG-O 3.11Å; S415-T432 WeakPolarHBondContact OG-CB 3.48Å; S415-T432 WeakPolarHBondContact OG-CG2 3.26Å; S415-T432 PolarHBondContact OG-OG1 2.95Å; S415-C434 PolarHBondContact OG-O 3.04Å
416F98.7Very high94.7Very high1 Ų140 Ų400%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-97135.2176.6-59.9-84.9000110.8V296 L311 I330 V334 I353 K418 C434 I436V296-F416 HydrophobicContact CG1-CZ 4.17Å; L311-F416 HydrophobicContact CD1-CD2 4.46Å; L311-F416 HydrophobicContact CD1-CE2 3.71Å; L311-F416 HydrophobicContact CD1-CZ 4Å; I330-F416 HydrophobicContact CD1-CB 4.43Å; I330-F416 HydrophobicContact CD1-CD2 4.24Å; I330-F416 HydrophobicContact CD1-CG 4.28Å; I330-F416 HydrophobicContact CG1-CB 3.91Å; I330-F416 HydrophobicContact CG1-CD1 4.44Å; I330-F416 HydrophobicContact CG1-CG 4.06Å; I330-F416 HydrophobicContact CG2-CD1 3.93Å; I330-F416 HydrophobicContact CG2-CE1 4.11Å; I330-F416 HydrophobicContact CG2-CG 4.33Å; V334-F416 HydrophobicContact CB-CE1 4.34Å; V334-F416 HydrophobicContact CG1-CE1 3.9Å; V334-F416 HydrophobicContact CG1-CZ 4.07Å; I353-F416 HydrophobicContact CG2-CD1 3.76Å; I353-F416 HydrophobicContact CG2-CE1 4.24Å; F416-K418 PolarHBondContact O-N 2.97Å; F416-C434 HydrophobicContact CD2-CB 4.46Å; F416-C434 PolarHBondContact N-O 3.29Å; F416-I436 HydrophobicContact CE2-CD1 4.48Å; F416-I436 HydrophobicContact CE2-CG1 4.23Å; F416-I436 HydrophobicContact CE2-CG2 4.12Å; F416-I436 HydrophobicContact CZ-CD1 4.18Å; F416-I436 HydrophobicContact CZ-CG1 4.4Å
417V98Very high94.8Very high25 Ų2543.4 Ų43.415%0.15221%0.205CC..SBendtrans66.8-26170.9-161.60000115.6T326 H329 S352T326-V417 HydrophobicContact CG2-CB 4.08Å; T326-V417 HydrophobicContact CG2-CG2 4.08Å; H329-V417 HydrophobicContact CB-CG1 4.05Å; H329-V417 HydrophobicContact CB-CG2 3.71Å; S352-V417 WeakPolarHBondContact O-CA 3.09Å; S352-V417 PolarHBondContact O-N 2.91Å
418K97.6Very high94.8Very high83 Ų8346 Ų4636%0.36122%0.218SC..  trans-128119.8-175.9-55.3-60.4169.5-161.70111.5S415 F416 P433S415-K418 WeakPolarHBondContact CB-O 3.42Å; S415-K418 PolarHBondContact OG-O 3.42Å; S415-K418 VanDerWaalsContact OG-O 3.11Å; F416-K418 PolarHBondContact O-N 2.97Å; K418-P433 HydrophobicContact CG-CG 4.16Å
419G95.8Very high95Very high5 Ų542.2 Ų42.25%0.05220%0.202CC..  trans-72.6163.5173.300000113.8F354F354-G419 VanDerWaalsContact CG-CA 3.5Å
420W97.6Very high95.1Very high5 Ų544.2 Ų44.22%0.01922%0.215CC..  trans-143.4171.3170.380.298.1000109.9F354 Q356 V371 R413 Y424 R426 V429 T432F354-W420 HydrophobicContact CB-CE3 4.14Å; F354-W420 HydrophobicContact CB-CZ3 3.71Å; F354-W420 WeakPolarHBondContact O-CH2 3.47Å; F354-W420 VanDerWaalsContact O-CZ3 3.29Å; F354-W420 WeakPolarHBondContact O-CZ3 3.46Å; Q356-W420 HydrophobicContact CB-CH2 4.22Å; Q356-W420 HydrophobicContact CB-CZ2 3.63Å; V371-W420 WeakPolarHBondContact CB-O 3.46Å; V371-W420 HydrophobicContact CG1-CD2 4.14Å; V371-W420 HydrophobicContact CG1-CE3 3.93Å; V371-W420 HydrophobicContact CG1-CH2 3.9Å; V371-W420 HydrophobicContact CG1-CZ2 4.12Å; V371-W420 HydrophobicContact CG1-CZ3 3.79Å; V371-W420 HydrophobicContact CG2-CD2 4.04Å; V371-W420 HydrophobicContact CG2-CG 4.34Å; V371-W420 HydrophobicContact CG2-CZ2 3.96Å; V371-W420 WeakPolarHBondContact CG2-O 3.24Å; R413-W420 HydrophobicContact CB-CH2 4.44Å; R413-W420 HydrophobicContact CB-CZ2 4.22Å; W420-Y424 VanDerWaalsContact O-CD2 3.25Å; W420-Y424 WeakPolarHBondContact O-CD2 3.32Å; W420-R426 CarbonylContact C-O 3.57Å; W420-R426 WeakPolarHBondContact CA-O 3.1Å; W420-R426 HydrophobicContact CB-CB 3.93Å; W420-R426 VanDerWaalsContact CB-O 3.32Å; W420-R426 WeakPolarHBondContact CB-O 3.43Å; W420-V429 HydrophobicContact CD2-CB 4.09Å; W420-V429 HydrophobicContact CD2-CG2 4.02Å; W420-V429 HydrophobicContact CE3-CG2 4.22Å; W420-V429 HydrophobicContact CG-CB 4.34Å; W420-V429 HydrophobicContact CH2-CG2 4Å; W420-V429 HydrophobicContact CZ2-CB 4.08Å; W420-V429 HydrophobicContact CZ2-CG2 3.76Å; W420-V429 HydrophobicContact CZ3-CG2 4.23Å; W420-T432 HydrophobicContact CB-CG2 3.79Å; W420-T432 HydrophobicContact CD2-CG2 4.31Å; W420-T432 HydrophobicContact CE3-CG2 4.04Å; W420-T432 HydrophobicContact CG-CG2 4.25Å
421G93.8Very high95.2Very high4 Ų446.7 Ų46.74%0.04123%0.232CC..SBendtrans91.5-176.8-171.200000112.3E423 Y424 R426 Q427G421-E423 VanDerWaalsContact C-N 3.34Å; G421-E423 PolarHBondContact O-N 2.57Å; G421-Y424 PolarHBondContact O-N 3.16Å; G421-R426 PolarHBondContact N-O 3.23Å; G421-Q427 VanDerWaalsContact C-OE1 3.32Å; G421-Q427 PolarHBondContact O-OE1 2.84Å
422A85.6Confident95.2Very high30 Ų3045.3 Ų45.325%0.24822%0.224CC..THydrogen-bonded Turntrans-45.6-46.8-159.300000116.3M166 P167 Y424M166-A422 HydrophobicContact CB-CB 4.04Å; M166-A422 HydrophobicContact CG-CB 3.81Å; M166-A422 VanDerWaalsContact O-CB 3.32Å; M166-A422 WeakPolarHBondContact O-CB 3.21Å; M166-A422 HydrophobicContact SD-CB 4.04Å; P167-A422 WeakPolarHBondContact O-CB 3.48Å; A422-Y424 PolarHBondContact O-N 3.36Å
423E81.4Confident95.2Very high95 Ų9545.4 Ų45.444%0.44422%0.224SC..THydrogen-bonded Turntrans-79.90.4-176.1-59.9176.1-176.800114.4H168 N169 G421H168-E423 WeakPolarHBondContact CA-OE1 3.49Å; H168-E423 WeakPolarHBondContact CB-OE1 3.04Å; H168-E423 IonicContact CD2-OE1 3.86Å; H168-E423 IonicContact CG-OE1 3.21Å; N169-E423 HydrophobicContact CB-CG 4.31Å; N169-E423 VanDerWaalsContact N-CD 3.33Å; N169-E423 PolarHBondContact N-OE1 3.45Å; N169-E423 PolarHBondContact ND2-N 2.82Å; G421-E423 VanDerWaalsContact C-N 3.34Å; G421-E423 PolarHBondContact O-N 2.57Å
424Y90.6Very high95.2Very high57 Ų5741.1 Ų41.122%0.22421%0.208CC..SBendtrans-117.7149.2-178.2-59.2-78.9000110.6N169 F354 W420 G421 A422 R426 Q427N169-Y424 HydrophobicContact CB-CE2 4.44Å; N169-Y424 WeakPolarHBondContact ND2-CD2 3.36Å; N169-Y424 WeakPolarHBondContact ND2-CE2 3.49Å; F354-Y424 HydrophobicContact CE1-CE1 4.17Å; F354-Y424 AromaticContact CE1-CZ 3.8Å; F354-Y424 WeakPolarHBondContact CE1-OH 3.45Å; W420-Y424 VanDerWaalsContact O-CD2 3.25Å; W420-Y424 WeakPolarHBondContact O-CD2 3.32Å; G421-Y424 PolarHBondContact O-N 3.16Å; A422-Y424 PolarHBondContact O-N 3.36Å; Y424-R426 PolarHBondContact O-N 3.48Å; Y424-Q427 PolarHBondContact O-NE2 3.12Å
425H90.9Very high95.2Very high182 Ų18241.4 Ų41.484%0.84321%0.209SC*.SBendtrans-59.9-14.3173.2179.366000113.9
426R95Very high95.2Very high71 Ų7141.4 Ų41.427%0.26821%0.209SC..  trans-100.5114.5176-67.8171.5176.371.514.5108.5W420 G421 Y424 S431W420-R426 CarbonylContact C-O 3.57Å; W420-R426 WeakPolarHBondContact CA-O 3.1Å; W420-R426 HydrophobicContact CB-CB 3.93Å; W420-R426 VanDerWaalsContact CB-O 3.32Å; W420-R426 WeakPolarHBondContact CB-O 3.43Å; G421-R426 PolarHBondContact N-O 3.23Å; Y424-R426 PolarHBondContact O-N 3.48Å; R426-S431 WeakPolarHBondContact CD-O 3.44Å; R426-S431 PolarHBondContact NE-O 3.43Å
427Q93.6Very high95.2Very high85 Ų8542.3 Ų42.340%0.39721%0.214SC..  trans-82.6-36.1175-55.6-49.6-25.800112.2M166 G421 Y424M166-Q427 PolarHBondContact SD-OE1 3.24Å; G421-Q427 VanDerWaalsContact C-OE1 3.32Å; G421-Q427 PolarHBondContact O-OE1 2.84Å; Y424-Q427 PolarHBondContact O-NE2 3.12Å
428D95.4Very high95.2Very high100 Ų10041.2 Ų41.254%0.53521%0.207SC..SBendtrans-100147.2178.8-65.5-76.8000114.1T430 S431D428-T430 WeakPolarHBondContact CB-OG1 3Å; D428-T430 PolarHBondContact O-N 3.12Å; D428-S431 WeakPolarHBondContact O-CB 3.44Å; D428-S431 PolarHBondContact O-N 2.93Å
429V97.3Very high95.3Very high8 Ų839.5 Ų39.55%0.04820%0.2CC..G310 helixtrans-60-32172.774.90000112W420 S431 T432 W435W420-V429 HydrophobicContact CD2-CB 4.09Å; W420-V429 HydrophobicContact CD2-CG2 4.02Å; W420-V429 HydrophobicContact CE3-CG2 4.22Å; W420-V429 HydrophobicContact CG-CB 4.34Å; W420-V429 HydrophobicContact CH2-CG2 4Å; W420-V429 HydrophobicContact CZ2-CB 4.08Å; W420-V429 HydrophobicContact CZ2-CG2 3.76Å; W420-V429 HydrophobicContact CZ3-CG2 4.23Å; V429-S431 PolarHBondContact O-N 3.23Å; V429-T432 VanDerWaalsContact O-CB 3.31Å; V429-T432 WeakPolarHBondContact O-CB 3.24Å; V429-T432 WeakPolarHBondContact O-CG2 3.48Å; V429-T432 PolarHBondContact O-N 3.43Å; V429-T432 PolarHBondContact O-OG1 3.24Å; V429-W435 HydrophobicContact CB-CD2 4.48Å; V429-W435 HydrophobicContact CG1-CD2 4.21Å; V429-W435 HydrophobicContact CG1-CE3 4.13Å; V429-W435 HydrophobicContact CG1-CH2 3.87Å; V429-W435 HydrophobicContact CG1-CZ2 3.91Å; V429-W435 HydrophobicContact CG1-CZ3 3.96Å; V429-W435 HydrophobicContact CG2-CB 4.11Å; V429-W435 HydrophobicContact CG2-CD2 3.57Å; V429-W435 HydrophobicContact CG2-CE3 3.63Å; V429-W435 HydrophobicContact CG2-CG 3.8Å; V429-W435 HydrophobicContact CG2-CZ3 4.28Å; V429-W435 PolarHBondContact O-NE1 2.74Å
430T97.6Very high95.4Very high58 Ų5839.4 Ų39.436%0.35620%0.198SC..G310 helixtrans-68.4-12.3176.152.60000113.4L279 N280 D428 T432 W435L279-T430 CarbonylContact C-O 3.59Å; L279-T430 WeakPolarHBondContact CA-O 3.44Å; L279-T430 WeakPolarHBondContact CB-O 3.32Å; N280-T430 HydrophobicContact CB-CG2 4.31Å; D428-T430 WeakPolarHBondContact CB-OG1 3Å; D428-T430 PolarHBondContact O-N 3.12Å; T430-T432 VanDerWaalsContact C-N 3.34Å; T430-W435 HydrophobicContact CG2-CZ2 4.1Å
431S97.6Very high95.3Very high52 Ų5241.3 Ų41.336%0.36421%0.207SC..G310 helixtrans-86.6-5.2168.9-61.70000112.8R426 D428 V429R426-S431 WeakPolarHBondContact CD-O 3.44Å; R426-S431 PolarHBondContact NE-O 3.43Å; D428-S431 WeakPolarHBondContact O-CB 3.44Å; D428-S431 PolarHBondContact O-N 2.93Å; V429-S431 PolarHBondContact O-N 3.23Å
432T98.2Very high95.3Very high0 Ų041.2 Ų41.20%021%0.206CC..SBendtrans-86.3141.9176.476.10000111.4L279 S415 W420 V429 T430 C434L279-T432 WeakPolarHBondContact CA-O 3.44Å; L279-T432 PolarHBondContact N-O 3.33Å; S415-T432 WeakPolarHBondContact OG-CB 3.48Å; S415-T432 WeakPolarHBondContact OG-CG2 3.26Å; S415-T432 PolarHBondContact OG-OG1 2.95Å; W420-T432 HydrophobicContact CB-CG2 3.79Å; W420-T432 HydrophobicContact CD2-CG2 4.31Å; W420-T432 HydrophobicContact CE3-CG2 4.04Å; W420-T432 HydrophobicContact CG-CG2 4.25Å; V429-T432 VanDerWaalsContact O-CB 3.31Å; V429-T432 WeakPolarHBondContact O-CB 3.24Å; V429-T432 WeakPolarHBondContact O-CG2 3.48Å; V429-T432 PolarHBondContact O-N 3.43Å; V429-T432 PolarHBondContact O-OG1 3.24Å; T430-T432 VanDerWaalsContact C-N 3.34Å; T432-C434 PolarHBondContact O-N 2.86Å
433P98.3Very high95.8Very high3 Ų340 Ų402%0.01920%0.196CC..SBendtrans-72.9-27.9-169.4-17.532.8000113.8E278 T322 I323 T326 K418E278-P433 WeakPolarHBondContact CA-O 3.39Å; T322-P433 HydrophobicContact CG2-CB 4.43Å; T322-P433 HydrophobicContact CG2-CG 3.9Å; I323-P433 HydrophobicContact CB-CB 4.36Å; I323-P433 HydrophobicContact CG1-CB 3.86Å; T326-P433 HydrophobicContact CG2-CB 4.1Å; T326-P433 HydrophobicContact CG2-CG 4.38Å; T326-P433 WeakPolarHBondContact OG1-CB 3.4Å; T326-P433 WeakPolarHBondContact OG1-CG 3.36Å; K418-P433 HydrophobicContact CG-CG 4.16Å
434C98.7Very high96.5Very high0 Ų037.7 Ų37.70%019%0.186CC..SBendtrans-146.7116.2-177.4-58.10000109.6Y276 T326 R327 I330 S415 F416 T432Y276-C434 HydrophobicContact CE2-CB 4.1Å; Y276-C434 PolarHBondContact OH-SG 3.04Å; T326-C434 HydrophobicContact CG2-CB 3.86Å; R327-C434 VanDerWaalsContact CG-SG 3.56Å; I330-C434 HydrophobicContact CD1-CB 4.18Å; S415-C434 PolarHBondContact OG-O 3.04Å; F416-C434 HydrophobicContact CD2-CB 4.46Å; F416-C434 PolarHBondContact N-O 3.29Å; T432-C434 PolarHBondContact O-N 2.86Å
435W98.8Very high96.7Very high6 Ų638 Ų382%0.02319%0.19CC..EExtended strand (participates in β ladder)trans-146.1165.1177.264.8-78.6000112Y276 Y277 L279 R413 M414 V429 T430 E437Y276-W435 VanDerWaalsContact CD2-O 3.27Å; Y276-W435 WeakPolarHBondContact CD2-O 3.31Å; Y277-W435 VanDerWaalsContact CB-NE1 3.33Å; Y277-W435 HydrophobicContact CD1-CH2 4.33Å; Y277-W435 AromaticContact CD1-CZ2 3.86Å; Y277-W435 HydrophobicContact CD1-CZ2 3.86Å; Y277-W435 HydrophobicContact CD2-CD2 4.35Å; Y277-W435 HydrophobicContact CD2-CE3 4.29Å; Y277-W435 AromaticContact CD2-CH2 3.85Å; Y277-W435 HydrophobicContact CD2-CH2 3.85Å; Y277-W435 AromaticContact CD2-CZ2 3.92Å; Y277-W435 HydrophobicContact CD2-CZ2 3.92Å; Y277-W435 HydrophobicContact CD2-CZ3 4.06Å; Y277-W435 HydrophobicContact CE1-CZ2 4.47Å; Y277-W435 HydrophobicContact CE2-CH2 4.14Å; Y277-W435 HydrophobicContact CE2-CZ3 4.42Å; Y277-W435 HydrophobicContact CG-CD2 4.31Å; Y277-W435 AromaticContact CG-CE2 3.76Å; Y277-W435 AromaticContact CG-CH2 3.98Å; Y277-W435 HydrophobicContact CG-CH2 3.98Å; Y277-W435 AromaticContact CG-CZ2 3.57Å; Y277-W435 HydrophobicContact CG-CZ2 3.57Å; Y277-W435 PolarHBondContact N-O 2.84Å; Y277-W435 PolarHBondContact O-N 2.85Å; L279-W435 PolarHBondContact O-NE1 3.25Å; R413-W435 HydrophobicContact CG-CZ3 4.14Å; M414-W435 CarbonylContact O-C 3.54Å; M414-W435 WeakPolarHBondContact O-CA 3.28Å; M414-W435 VanDerWaalsContact O-CB 3.26Å; M414-W435 WeakPolarHBondContact O-CB 3.47Å; V429-W435 HydrophobicContact CB-CD2 4.48Å; V429-W435 HydrophobicContact CG1-CD2 4.21Å; V429-W435 HydrophobicContact CG1-CE3 4.13Å; V429-W435 HydrophobicContact CG1-CH2 3.87Å; V429-W435 HydrophobicContact CG1-CZ2 3.91Å; V429-W435 HydrophobicContact CG1-CZ3 3.96Å; V429-W435 HydrophobicContact CG2-CB 4.11Å; V429-W435 HydrophobicContact CG2-CD2 3.57Å; V429-W435 HydrophobicContact CG2-CE3 3.63Å; V429-W435 HydrophobicContact CG2-CG 3.8Å; V429-W435 HydrophobicContact CG2-CZ3 4.28Å; V429-W435 PolarHBondContact O-NE1 2.74Å; T430-W435 HydrophobicContact CG2-CZ2 4.1Å; W435-E437 HydrophobicContact CZ3-CB 3.86Å; W435-E437 HydrophobicContact CZ3-CG 4.37Å
436I98.8Very high96.8Very high0 Ų029.6 Ų29.60%015%0.151CC..EExtended strand (participates in β ladder)trans-124.9147.6173.654173.8000111.1I274 V275 Y276 V296 V334 M414 F416 I438I274-I436 HydrophobicContact CG2-CB 3.84Å; I274-I436 HydrophobicContact CG2-CD1 3.93Å; I274-I436 HydrophobicContact CG2-CG1 4.42Å; I274-I436 HydrophobicContact CG2-CG2 3.92Å; V275-I436 CarbonylContact O-C 3.55Å; V275-I436 WeakPolarHBondContact O-CA 3.22Å; Y276-I436 HydrophobicContact CD2-CG2 4.02Å; V296-I436 HydrophobicContact CG1-CD1 4.39Å; V334-I436 HydrophobicContact CG1-CD1 4.44Å; M414-I436 HydrophobicContact CB-CD1 4.43Å; M414-I436 HydrophobicContact CB-CG1 3.92Å; M414-I436 PolarHBondContact N-O 2.98Å; M414-I436 PolarHBondContact O-N 3.24Å; M414-I436 HydrophobicContact SD-CD1 4.23Å; F416-I436 HydrophobicContact CE2-CD1 4.48Å; F416-I436 HydrophobicContact CE2-CG1 4.23Å; F416-I436 HydrophobicContact CE2-CG2 4.12Å; F416-I436 HydrophobicContact CZ-CD1 4.18Å; F416-I436 HydrophobicContact CZ-CG1 4.4Å; I436-I438 HydrophobicContact CD1-CD1 4.04Å; I436-I438 HydrophobicContact CD1-CG1 4.15Å; I436-I438 HydrophobicContact CG1-CG1 4.41Å
437E98.7Very high96.7Very high20 Ų2026.3 Ų26.39%0.09314%0.139CC..EExtended strand (participates in β ladder)trans-110.2130167.5-161.7164.462.600109.1I274 V275 Y277 T411 R413 W435 H439I274-E437 WeakPolarHBondContact CA-O 3.44Å; V275-E437 PolarHBondContact N-O 3.2Å; V275-E437 PolarHBondContact O-N 3.02Å; Y277-E437 HydrophobicContact CD2-CB 4.49Å; Y277-E437 HydrophobicContact CE2-CB 3.99Å; T411-E437 HydrophobicContact CG2-CG 3.42Å; T411-E437 VanDerWaalsContact CG2-CG 3.42Å; R413-E437 HydrophobicContact CG-CG 4.2Å; R413-E437 IonicContact CZ-OE2 2.73Å; R413-E437 IonicContact NE-OE2 3.89Å; R413-E437 PolarHBondContact NE-OE2 3.15Å; R413-E437 IonicContact NH2-OE2 2.87Å; R413-E437 PolarHBondContact NH2-OE2 2.87Å; W435-E437 HydrophobicContact CZ3-CB 3.86Å; W435-E437 HydrophobicContact CZ3-CG 4.37Å; E437-H439 IonicContact OE1-CE1 2.7Å; E437-H439 PolarHBondContact OE1-CE1 3.36Å; E437-H439 IonicContact OE1-NE2 3.91Å
438I98.6Very high96.7Very high2 Ų227 Ų271%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-118.2120.5-173-52.8168.2000107.9C272 S273 I274 L336 T411 L412 M414 I436 L440C272-I438 HydrophobicContact CB-CG2 4.05Å; S273-I438 WeakPolarHBondContact O-CA 3.41Å; I274-I438 HydrophobicContact CG1-CG1 4.47Å; I274-I438 HydrophobicContact CG1-CG2 4.43Å; I274-I438 HydrophobicContact CG2-CG1 4.33Å; L336-I438 HydrophobicContact CD1-CD1 3.74Å; L336-I438 HydrophobicContact CD1-CG1 4.49Å; L336-I438 HydrophobicContact CD2-CD1 4.08Å; T411-I438 CarbonylContact C-O 3.16Å; T411-I438 WeakPolarHBondContact CA-O 3.49Å; L412-I438 HydrophobicContact CB-CB 4.27Å; L412-I438 PolarHBondContact N-O 3.05Å; L412-I438 PolarHBondContact O-N 3.34Å; M414-I438 HydrophobicContact CE-CD1 4.3Å; I436-I438 HydrophobicContact CD1-CD1 4.04Å; I436-I438 HydrophobicContact CD1-CG1 4.15Å; I436-I438 HydrophobicContact CG1-CG1 4.41Å; I438-L440 HydrophobicContact CG2-CD2 4.2Å
439H98.1Very high96.5Very high47 Ų4724.6 Ų24.622%0.21813%0.13CC..EExtended strand (participates in β ladder)trans-106.3116.7179.3-69.685.3000109.9C272 S273 T411 E437 H441 L444C272-H439 CarbonylContact C-O 3.6Å; C272-H439 WeakPolarHBondContact CA-O 3.44Å; C272-H439 WeakPolarHBondContact CB-O 3.35Å; S273-H439 PolarHBondContact N-O 3.22Å; S273-H439 PolarHBondContact O-N 3.35Å; T411-H439 PolarHBondContact OG1-CD2 3.05Å; T411-H439 PolarHBondContact OG1-NE2 3.15Å; E437-H439 IonicContact OE1-CE1 2.7Å; E437-H439 PolarHBondContact OE1-CE1 3.36Å; E437-H439 IonicContact OE1-NE2 3.91Å; H439-H441 PolarHBondContact O-CD2 3.31Å; H439-H441 PolarHBondContact O-N 2.83Å; H439-L444 HydrophobicContact CB-CD1 4.15Å
440L97.8Very high96.2Very high3 Ų324.2 Ų24.22%0.01613%0.127CC..EExtended strand (participates in β ladder)trans-84.8110.4-179.3-58.4-176.6000110.8W271 C272 V343 F383 C410 L412 I438 P443 L444W271-L440 HydrophobicContact CE3-CD2 4.08Å; W271-L440 HydrophobicContact CZ3-CD2 3.82Å; C272-L440 HydrophobicContact CB-CD2 3.99Å; V343-L440 HydrophobicContact CG2-CD1 4.34Å; V343-L440 HydrophobicContact CG2-CD2 4.15Å; F383-L440 HydrophobicContact CB-CD1 3.76Å; F383-L440 HydrophobicContact CD1-CD1 3.63Å; F383-L440 HydrophobicContact CD2-CD1 3.43Å; F383-L440 VanDerWaalsContact CD2-CD1 3.43Å; F383-L440 HydrophobicContact CE1-CD1 4.02Å; F383-L440 HydrophobicContact CE2-CD1 3.82Å; F383-L440 HydrophobicContact CG-CD1 3.31Å; F383-L440 HydrophobicContact CZ-CD1 4.09Å; C410-L440 PolarHBondContact O-N 2.78Å; L412-L440 HydrophobicContact CD1-CD1 4.18Å; L412-L440 HydrophobicContact CD1-CG 4.5Å; L412-L440 HydrophobicContact CG-CD1 4.42Å; I438-L440 HydrophobicContact CG2-CD2 4.2Å; L440-P443 HydrophobicContact CB-CB 4.43Å; L440-P443 HydrophobicContact CB-CG 3.96Å; L440-P443 HydrophobicContact CD1-CG 4.47Å; L440-L444 WeakPolarHBondContact O-CB 3.36Å; L440-L444 VanDerWaalsContact O-CG 3.28Å; L440-L444 WeakPolarHBondContact O-CG 3.25Å; L440-L444 PolarHBondContact O-N 2.97Å; L440-L444 VanDerWaalsContact O-N 3.16Å
441H96.7Very high95.9Very high44 Ų4422.6 Ų22.620%0.20412%0.116CC..Hα-helixtrans-72.6-34.9-167.7-67.5-179.3000113.1P268 H270 W271 S273 H439 L444 Q445P268-H441 HydrophobicContact CB-CB 4.23Å; P268-H441 HydrophobicContact CG-CB 3.81Å; H270-H441 VanDerWaalsContact O-CB 3.31Å; H270-H441 WeakPolarHBondContact O-CB 3.42Å; H270-H441 PolarHBondContact O-ND1 3.4Å; W271-H441 PolarHBondContact O-N 2.74Å; S273-H441 WeakPolarHBondContact CB-NE2 3.44Å; S273-H441 PolarHBondContact N-NE2 2.99Å; S273-H441 VanDerWaalsContact N-NE2 3.12Å; S273-H441 PolarHBondContact OG-NE2 2.85Å; H439-H441 PolarHBondContact O-CD2 3.31Å; H439-H441 PolarHBondContact O-N 2.83Å; H441-L444 PolarHBondContact O-N 3.31Å; H441-Q445 VanDerWaalsContact O-CB 3.27Å; H441-Q445 WeakPolarHBondContact O-CB 3.48Å; H441-Q445 PolarHBondContact O-N 3.36Å
442G94.3Very high95.4Very high2 Ų225.1 Ų25.12%0.02113%0.13CC..Hα-helixtrans-64.6-55.6178.700000112L444 Q445 W446G442-L444 VanDerWaalsContact C-N 3.31Å; G442-L444 PolarHBondContact O-N 3.29Å; G442-Q445 PolarHBondContact O-N 3.18Å; G442-W446 PolarHBondContact O-N 3.11Å
443P95.3Very high94.8Very high4 Ų427.8 Ų27.83%0.02614%0.142CC..Hα-helixtrans-53.5-42171.9-31.138.3000113.8F383 F388 C410 L440 L447F383-P443 HydrophobicContact CD1-CG 4.42Å; F383-P443 HydrophobicContact CE1-CB 4.26Å; F383-P443 HydrophobicContact CE1-CG 3.49Å; F383-P443 VanDerWaalsContact CE1-CG 3.49Å; F383-P443 HydrophobicContact CZ-CB 3.98Å; F383-P443 HydrophobicContact CZ-CG 3.7Å; F388-P443 HydrophobicContact CD1-CB 3.97Å; F388-P443 HydrophobicContact CE1-CB 3.73Å; F388-P443 HydrophobicContact CE2-CB 4.38Å; F388-P443 HydrophobicContact CG-CB 4.41Å; F388-P443 HydrophobicContact CZ-CB 3.95Å; C410-P443 HydrophobicContact CB-CB 4.17Å; C410-P443 VanDerWaalsContact SG-CB 3.51Å; L440-P443 HydrophobicContact CB-CB 4.43Å; L440-P443 HydrophobicContact CB-CG 3.96Å; L440-P443 HydrophobicContact CD1-CG 4.47Å; P443-L447 VanDerWaalsContact O-CB 3.26Å; P443-L447 WeakPolarHBondContact O-CB 3.34Å; P443-L447 PolarHBondContact O-N 2.7Å
444L95.8Very high94.1Very high47 Ų4729.3 Ų29.325%0.24615%0.149CC..Hα-helixtrans-63.7-47.3174.9-74.3169.9000112.8T407 C410 H439 L440 H441 G442 W446 L447 D448T407-L444 HydrophobicContact CG2-CD2 4.07Å; C410-L444 HydrophobicContact CB-CD2 3.62Å; C410-L444 HydrophobicContact CB-CG 3.63Å; H439-L444 HydrophobicContact CB-CD1 4.15Å; L440-L444 WeakPolarHBondContact O-CB 3.36Å; L440-L444 VanDerWaalsContact O-CG 3.28Å; L440-L444 WeakPolarHBondContact O-CG 3.25Å; L440-L444 PolarHBondContact O-N 2.97Å; L440-L444 VanDerWaalsContact O-N 3.16Å; H441-L444 PolarHBondContact O-N 3.31Å; G442-L444 VanDerWaalsContact C-N 3.31Å; G442-L444 PolarHBondContact O-N 3.29Å; L444-W446 VanDerWaalsContact C-N 3.31Å; L444-W446 PolarHBondContact O-N 3.42Å; L444-L447 PolarHBondContact O-N 3.33Å; L444-D448 WeakPolarHBondContact O-CB 3.41Å; L444-D448 PolarHBondContact O-N 2.72Å
445Q94.3Very high93Very high65 Ų6531.7 Ų31.730%0.30417%0.174SC..Hα-helixtrans-65.1-35.3-179.1-173.5-175.70.900111.9H441 G442 K449H441-Q445 VanDerWaalsContact O-CB 3.27Å; H441-Q445 WeakPolarHBondContact O-CB 3.48Å; H441-Q445 PolarHBondContact O-N 3.36Å; G442-Q445 PolarHBondContact O-N 3.18Å; Q445-K449 WeakPolarHBondContact O-CG 3.3Å; Q445-K449 PolarHBondContact O-N 2.9Å
446W93.6Very high91.9Very high4 Ų435.7 Ų35.72%0.01520%0.203CC..Hα-helixtrans-70.8-41.9175.8-162.48.5000111.7L135 P136 V138 V263 Y265 F388 A389 L392 G442 L444 K449 V450L135-W446 HydrophobicContact CB-CH2 3.8Å; L135-W446 HydrophobicContact CB-CZ3 4.19Å; L135-W446 HydrophobicContact CD1-CH2 4.22Å; L135-W446 HydrophobicContact CD1-CZ3 3.72Å; P136-W446 WeakPolarHBondContact O-CH2 3.17Å; P136-W446 VanDerWaalsContact O-CZ2 3.31Å; P136-W446 WeakPolarHBondContact O-CZ2 3.38Å; V138-W446 HydrophobicContact CG2-CH2 4.4Å; V138-W446 HydrophobicContact CG2-CZ2 3.67Å; V263-W446 PolarHBondContact O-NE1 2.72Å; Y265-W446 HydrophobicContact CD2-CB 4.08Å; Y265-W446 AromaticContact CD2-CD2 3.81Å; Y265-W446 HydrophobicContact CD2-CD2 3.81Å; Y265-W446 AromaticContact CD2-CE3 3.45Å; Y265-W446 HydrophobicContact CD2-CE3 3.45Å; Y265-W446 VanDerWaalsContact CD2-CE3 3.45Å; Y265-W446 HydrophobicContact CD2-CG 4.13Å; Y265-W446 HydrophobicContact CD2-CZ3 4.05Å; Y265-W446 HydrophobicContact CE2-CE3 4.32Å; Y265-W446 HydrophobicContact CG-CD2 4.34Å; Y265-W446 HydrophobicContact CG-CE3 4.07Å; Y265-W446 HydrophobicContact CG-CZ3 4.29Å; F388-W446 HydrophobicContact CD1-CE3 4.47Å; A389-W446 HydrophobicContact CB-CH2 3.49Å; A389-W446 VanDerWaalsContact CB-CH2 3.49Å; A389-W446 HydrophobicContact CB-CZ3 3.52Å; L392-W446 HydrophobicContact CD2-CD2 4.02Å; L392-W446 HydrophobicContact CD2-CE3 4.37Å; L392-W446 HydrophobicContact CD2-CG 4.06Å; G442-W446 PolarHBondContact O-N 3.11Å; L444-W446 VanDerWaalsContact C-N 3.31Å; L444-W446 PolarHBondContact O-N 3.42Å; W446-K449 PolarHBondContact O-N 2.7Å; W446-V450 WeakPolarHBondContact O-CG2 3.19Å; W446-V450 PolarHBondContact O-N 3.11Å; W446-V450 VanDerWaalsContact O-N 3.11Å
447L94.1Very high90.7Very high3 Ų338.3 Ų38.32%0.01622%0.22CC..Hα-helixtrans-61.2-44.8176-172.867.2000112.1F388 L392 V403 L406 T407 P443 L444 V450 L451F388-L447 HydrophobicContact CZ-CB 4.41Å; L392-L447 HydrophobicContact CD1-CD1 3.55Å; V403-L447 HydrophobicContact CG1-CD1 3.47Å; V403-L447 VanDerWaalsContact CG1-CD1 3.47Å; L406-L447 HydrophobicContact CB-CD1 3.95Å; L406-L447 HydrophobicContact CB-CD2 4.25Å; L406-L447 HydrophobicContact CD1-CD1 4.33Å; T407-L447 VanDerWaalsContact N-CD2 3.3Å; T407-L447 WeakPolarHBondContact OG1-CD2 3.27Å; P443-L447 VanDerWaalsContact O-CB 3.26Å; P443-L447 WeakPolarHBondContact O-CB 3.34Å; P443-L447 PolarHBondContact O-N 2.7Å; L444-L447 PolarHBondContact O-N 3.33Å; L447-V450 PolarHBondContact O-N 3.15Å; L447-L451 HydrophobicContact CD2-CD1 4.5Å; L447-L451 HydrophobicContact CG-CD1 3.98Å; L447-L451 HydrophobicContact CG-CG 4.46Å; L447-L451 WeakPolarHBondContact O-CB 3.42Å; L447-L451 WeakPolarHBondContact O-CG 3.27Å; L447-L451 PolarHBondContact O-N 2.93Å
448D92.4Very high89.2Confident100 Ų10045 Ų4554%0.53525%0.251SS..Hα-helixtrans-58.7-46.6176.6178.672.6000112.4L444 V450 L451 T452L444-D448 WeakPolarHBondContact O-CB 3.41Å; L444-D448 PolarHBondContact O-N 2.72Å; D448-V450 VanDerWaalsContact C-N 3.29Å; D448-V450 PolarHBondContact O-N 2.88Å; D448-L451 PolarHBondContact O-N 3.22Å; D448-T452 WeakPolarHBondContact O-CB 3.43Å; D448-T452 PolarHBondContact O-N 3.25Å; D448-T452 PolarHBondContact O-OG1 3.05Å
449K91.4Very high88Confident49 Ų4950.1 Ų50.121%0.21328%0.278CS..Hα-helixtrans-62.4-32.2174.5-74177.2179.2176.90113.7V263 E266 Q445 W446 Q453V263-K449 HydrophobicContact CG1-CB 3.56Å; V263-K449 HydrophobicContact CG1-CD 4.36Å; E266-K449 IonicContact OE1-NZ 3.16Å; E266-K449 PolarHBondContact OE1-NZ 3.21Å; E266-K449 IonicContact OE2-NZ 2.67Å; E266-K449 PolarHBondContact OE2-NZ 3.26Å; Q445-K449 WeakPolarHBondContact O-CG 3.3Å; Q445-K449 PolarHBondContact O-N 2.9Å; W446-K449 PolarHBondContact O-N 2.7Å; K449-Q453 WeakPolarHBondContact O-CG 3.14Å; K449-Q453 PolarHBondContact O-NE2 2.94Å
450V91.3Very high86.8Confident0 Ų053.8 Ų53.80%031%0.306CS..Hα-helixtrans-75-50.4175.3168.70000110.6V138 V140 V263 L392 V396 V403 W446 L447 D448 T452 Q453 M454V138-V450 HydrophobicContact CB-CG2 4.07Å; V138-V450 HydrophobicContact CG1-CG1 4.43Å; V138-V450 HydrophobicContact CG1-CG2 3.83Å; V140-V450 HydrophobicContact CG2-CG1 3.98Å; V140-V450 HydrophobicContact CG2-CG2 4.45Å; V263-V450 HydrophobicContact CB-CG2 3.97Å; V263-V450 HydrophobicContact CG1-CG2 3.95Å; V263-V450 HydrophobicContact CG2-CG2 4.07Å; L392-V450 HydrophobicContact CD1-CB 4.38Å; L392-V450 HydrophobicContact CD1-CG1 4.11Å; L392-V450 HydrophobicContact CD1-CG2 4.43Å; L392-V450 HydrophobicContact CD2-CG2 4.16Å; L392-V450 HydrophobicContact CG-CG2 4.41Å; V396-V450 HydrophobicContact CG2-CG1 3.51Å; V403-V450 HydrophobicContact CG1-CG1 4.14Å; W446-V450 WeakPolarHBondContact O-CG2 3.19Å; W446-V450 PolarHBondContact O-N 3.11Å; W446-V450 VanDerWaalsContact O-N 3.11Å; L447-V450 PolarHBondContact O-N 3.15Å; D448-V450 VanDerWaalsContact C-N 3.29Å; D448-V450 PolarHBondContact O-N 2.88Å; V450-T452 VanDerWaalsContact C-N 3.28Å; V450-T452 PolarHBondContact O-N 2.7Å; V450-Q453 PolarHBondContact O-N 2.9Å; V450-M454 HydrophobicContact CG1-CG 4.48Å; V450-M454 HydrophobicContact CG1-SD 3.98Å; V450-M454 PolarHBondContact O-N 3.13Å
451L90.3Very high85.8Confident23 Ų2361.2 Ų61.212%0.1234%0.344CS..Hα-helixtrans-57.7-40.7179-75.2170000112.1F400 V403 Y404 L447 D448 Q453 M454F400-L451 HydrophobicContact CD2-CD2 4Å; F400-L451 HydrophobicContact CE1-CD2 4.31Å; F400-L451 HydrophobicContact CE2-CB 4.41Å; F400-L451 HydrophobicContact CE2-CD2 3.74Å; F400-L451 HydrophobicContact CG-CD2 4.4Å; F400-L451 HydrophobicContact CZ-CD2 3.91Å; V403-L451 HydrophobicContact CB-CD2 3.93Å; V403-L451 HydrophobicContact CG1-CD2 3.59Å; V403-L451 HydrophobicContact CG1-CG 3.88Å; Y404-L451 HydrophobicContact CD2-CD1 4.21Å; L447-L451 HydrophobicContact CD2-CD1 4.5Å; L447-L451 HydrophobicContact CG-CD1 3.98Å; L447-L451 HydrophobicContact CG-CG 4.46Å; L447-L451 WeakPolarHBondContact O-CB 3.42Å; L447-L451 WeakPolarHBondContact O-CG 3.27Å; L447-L451 PolarHBondContact O-N 2.93Å; D448-L451 PolarHBondContact O-N 3.22Å; L451-Q453 PolarHBondContact O-N 3.13Å; L451-Q453 VanDerWaalsContact O-N 3.13Å; L451-M454 PolarHBondContact O-N 2.79Å
452T88.2Confident85Confident106 Ų10662.2 Ų62.265%0.6536%0.357SS*.THydrogen-bonded Turntrans-58.7-24.9176.3-62.10000112.9D448 V450D448-T452 WeakPolarHBondContact O-CB 3.43Å; D448-T452 PolarHBondContact O-N 3.25Å; D448-T452 PolarHBondContact O-OG1 3.05Å; V450-T452 VanDerWaalsContact C-N 3.28Å; V450-T452 PolarHBondContact O-N 2.7Å
453Q86.4Confident84.4Confident56 Ų5668.1 Ų68.126%0.26240%0.397SS..THydrogen-bonded Turntrans-95.4-11.9179-64.6176.236.400113.5V140 Q261 V263 K449 V450 L451V140-Q453 HydrophobicContact CB-CB 4.34Å; V140-Q453 HydrophobicContact CG1-CB 3.97Å; V140-Q453 HydrophobicContact CG2-CB 4.48Å; Q261-Q453 VanDerWaalsContact CD-OE1 3.26Å; V263-Q453 VanDerWaalsContact CG2-OE1 3.27Å; K449-Q453 WeakPolarHBondContact O-CG 3.14Å; K449-Q453 PolarHBondContact O-NE2 2.94Å; V450-Q453 PolarHBondContact O-N 2.9Å; L451-Q453 PolarHBondContact O-N 3.13Å; L451-Q453 VanDerWaalsContact O-N 3.13Å
454M82.3Confident83.3Confident34 Ų3474.1 Ų74.117%0.16743%0.434CS..SBendtrans-89.8-3.3-179.8-68.1-176.675.800114.1V140 V396 F400 V403 V450 L451V140-M454 HydrophobicContact CG1-CG 3.75Å; V396-M454 HydrophobicContact CG1-CE 4.32Å; V396-M454 HydrophobicContact CG1-SD 4.41Å; V396-M454 HydrophobicContact CG2-SD 4.07Å; V396-M454 WeakPolarHBondContact O-CE 3.36Å; F400-M454 HydrophobicContact CD2-CB 4.19Å; V403-M454 HydrophobicContact CB-SD 4.11Å; V403-M454 HydrophobicContact CG1-SD 4.26Å; V403-M454 HydrophobicContact CG2-CE 3.97Å; V403-M454 HydrophobicContact CG2-SD 3.69Å; V450-M454 HydrophobicContact CG1-CG 4.48Å; V450-M454 HydrophobicContact CG1-SD 3.98Å; V450-M454 PolarHBondContact O-N 3.13Å; L451-M454 PolarHBondContact O-N 2.79Å
455G76.9Confident81.6Confident50 Ų5079.2 Ų79.252%0.51547%0.473SS..  trans76.9-153-178.100000113.3F400F400-G455 WeakPolarHBondContact CD2-O 3.33Å; F400-G455 WeakPolarHBondContact CE2-O 3.12Å
456S74.1Confident81Confident90 Ų9079.9 Ų79.963%0.62948%0.481SS*.  trans-98.7157.4-178.159.40000112.9
457P73.9Confident80.3Confident55 Ų5583.9 Ų83.936%0.35751%0.506SS..  trans-50.3145.7165.9-24.932.9000112.4F400F400-P457 HydrophobicContact CD1-CG 3.78Å; F400-P457 HydrophobicContact CE1-CG 3.69Å; F400-P457 HydrophobicContact CG-CG 4.48Å; F400-P457 HydrophobicContact CZ-CG 4.31Å
458H66.9Low79.6Confident160 Ų16088.4 Ų88.474%0.74153%0.533SS*.SBendtrans-74.5-24.9176.7-73.84.1000113.3P460H458-P460 VanDerWaalsContact O-CD 3.27Å; H458-P460 WeakPolarHBondContact O-CD 3.27Å
459N73.1Confident78.8Confident110 Ų11087.7 Ų87.759%0.58853%0.533SS*.SBendtrans-84111.1177.5-68.2-51000109.7E401 I461E401-N459 PolarHBondContact OE1-ND2 3.43Å; N459-I461 PolarHBondContact O-N 3.4Å
460P73.3Confident78Confident124 Ų12490.1 Ų90.181%0.80555%0.553SS**PPolyproline II helixtrans-69.612717629-33.9000110.1H458H458-P460 VanDerWaalsContact O-CD 3.27Å; H458-P460 WeakPolarHBondContact O-CD 3.27Å
461I77.8Confident77.2Confident159 Ų15996.1 Ų96.182%0.81559%0.59SS**PPolyproline II helixtrans-78.4130.4175.8-59.5175000108.7N459N459-I461 PolarHBondContact O-N 3.4Å
462S78.5Confident76.2Confident66 Ų66101.4 Ų101.446%0.46262%0.624SS.*PPolyproline II helixtrans-70.2139.2174.4175.20000110.8V464 S465S462-V464 PolarHBondContact O-N 3.46Å; S462-V464 PolarHBondContact OG-N 3.45Å; S462-V464 VanDerWaalsContact OG-N 3.14Å; S462-S465 WeakPolarHBondContact CB-OG 3.49Å; S462-S465 PolarHBondContact O-OG 3.14Å; S462-S465 PolarHBondContact OG-N 3.47Å
463S81.5Confident75.3Confident125 Ų125101 Ų10187%0.87462%0.622SS**SBendtrans-83.55.7172.652.90000113.7
464V73.3Confident74.4Confident131 Ų131104.8 Ų104.879%0.79465%0.652SS**  trans-132-0.9-169.6-160.70000112.7S462S462-V464 PolarHBondContact O-N 3.46Å; S462-V464 PolarHBondContact OG-N 3.45Å; S462-V464 VanDerWaalsContact OG-N 3.14Å
465S60.8Low73.6Confident153 Ų153111.2 Ų111.2100%1.0770%0.696SS**  trans-94.30-179.659.10000113S462S462-S465 WeakPolarHBondContact CB-OG 3.49Å; S462-S465 PolarHBondContact O-OG 3.14Å; S462-S465 PolarHBondContact OG-N 3.47Å

Retrieved 465 of 465 residues in 158.2 ms (Link to these results)

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