A0A096MAX6_POEFO Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A096MAX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 492 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 low45.2Very low241 Ų241132.7 Ų132.7100%1.18773%0.725SS**  0128.20-63.1171.6-17100107.2
2N28.2Very low48.4Very low147 Ų147129.7 Ų129.779%0.78672%0.717SS**  trans-96.5112.7-170-1531.4000110.2T4N2-T4 PolarHBondContact O-N 2.71Å
3V37.2Very low51.4Low139 Ų139120.5 Ų120.584%0.84267%0.668SS**  trans-95.372.8-172-74.80000111.9
4T35.8Very low54.2Low119 Ų119112 Ų11273%0.7362%0.621SS**  trans-125.827.8-175.144.40000114.4N2N2-T4 PolarHBondContact O-N 2.71Å
5S44.8Very low56.5Low112 Ų112113.1 Ų113.178%0.78362%0.617SS**  trans-139.952.9-171-166.30000115.5
6L38Very low58.8Low157 Ų157113.6 Ų113.682%0.82261%0.607SS**SBendtrans-139.9-1175.5-84.1-177.4000118.3
7F39.3Very low60.8Low173 Ų173106.9 Ų106.976%0.75957%0.571SS**  trans-130.688.7179.1-64.1-70.5000113.9F9F7-F9 HydrophobicContact CB-CD2 3.97Å; F7-F9 HydrophobicContact CB-CE2 3.61Å; F7-F9 HydrophobicContact CB-CZ 4.24Å; F7-F9 HydrophobicContact CG-CE2 4.45Å; F7-F9 WeakPolarHBondContact O-CD2 3.43Å; F7-F9 PolarHBondContact O-N 2.75Å; F7-F9 VanDerWaalsContact O-N 3.1Å
8S43.1Very low62.5Low106 Ų106103.1 Ų103.174%0.74155%0.55SS**  trans-7096.7160.7-58.90000109.3T10S8-T10 PolarHBondContact O-N 3.15Å
9F51.6Low64Low194 Ų194101.1 Ų101.185%0.85156%0.557SS**  trans-72.668.2178.3-79.4-87000112.4F7 S11F7-F9 HydrophobicContact CB-CD2 3.97Å; F7-F9 HydrophobicContact CB-CE2 3.61Å; F7-F9 HydrophobicContact CB-CZ 4.24Å; F7-F9 HydrophobicContact CG-CE2 4.45Å; F7-F9 WeakPolarHBondContact O-CD2 3.43Å; F7-F9 PolarHBondContact O-N 2.75Å; F7-F9 VanDerWaalsContact O-N 3.1Å; F9-S11 PolarHBondContact O-N 3.08Å
10T64.3Low65.4Low35 Ų3599.7 Ų99.722%0.21554%0.543CS..  trans-65.7128.8163.537.20000109.7S8 K15 E31S8-T10 PolarHBondContact O-N 3.15Å; T10-K15 WeakPolarHBondContact OG1-CE 3.22Å; T10-K15 WeakPolarHBondContact OG1-CG 3.27Å; T10-E31 HydrophobicContact CG2-CG 3.99Å; T10-E31 WeakPolarHBondContact CG2-OE1 3.04Å
11S79.8Confident66.7Low37 Ų3796.9 Ų96.926%0.25953%0.526SS..  trans-57.8142-179.7-171.10000110.5F9 A13 V14 K15F9-S11 PolarHBondContact O-N 3.08Å; S11-A13 PolarHBondContact O-N 3.12Å; S11-A13 VanDerWaalsContact O-N 3.1Å; S11-V14 WeakPolarHBondContact O-CA 3.3Å; S11-V14 WeakPolarHBondContact O-CB 3.48Å; S11-V14 PolarHBondContact O-N 3.13Å; S11-K15 PolarHBondContact O-N 3.02Å
12P84.4Confident69.3Low96 Ų9689.8 Ų89.862%0.62349%0.49SS*.Hα-helixtrans-53.1-35-179.8-3036.2000114.2K15 R16P12-K15 PolarHBondContact O-N 3.03Å; P12-R16 WeakPolarHBondContact O-CB 3.41Å; P12-R16 PolarHBondContact O-N 2.58Å
13A86.4Confident71.7Confident11 Ų1184.5 Ų84.59%0.09147%0.47CS..Hα-helixtrans-66.6-36.7173.700000113.1S11 R16 L17 V38 M48S11-A13 PolarHBondContact O-N 3.12Å; S11-A13 VanDerWaalsContact O-N 3.1Å; A13-R16 PolarHBondContact O-N 2.89Å; A13-L17 WeakPolarHBondContact O-CB 3.49Å; A13-L17 VanDerWaalsContact O-CG 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.25Å; A13-L17 PolarHBondContact O-N 3.28Å; A13-V38 HydrophobicContact CB-CG1 4.27Å; A13-V38 HydrophobicContact CB-CG2 4.42Å; A13-M48 HydrophobicContact CB-CE 4.19Å; A13-M48 HydrophobicContact CB-SD 4.11Å
14V90.6Very high73.4Confident1 Ų185.2 Ų85.21%0.00647%0.469CS..Hα-helixtrans-67.2-45.4175.6174.90000110.1S11 R16 L17 L18 V34 D35 V38S11-V14 WeakPolarHBondContact O-CA 3.3Å; S11-V14 WeakPolarHBondContact O-CB 3.48Å; S11-V14 PolarHBondContact O-N 3.13Å; V14-R16 VanDerWaalsContact C-N 3.32Å; V14-R16 PolarHBondContact O-N 2.73Å; V14-L17 PolarHBondContact O-N 3.12Å; V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.25Å; V14-L18 VanDerWaalsContact O-CG 3.26Å; V14-L18 WeakPolarHBondContact O-CG 3.48Å; V14-L18 PolarHBondContact O-N 2.77Å; V14-V34 HydrophobicContact CB-CG1 4.31Å; V14-V34 HydrophobicContact CG1-CB 4.36Å; V14-V34 HydrophobicContact CG1-CG1 3.98Å; V14-V34 HydrophobicContact CG2-CG1 4.36Å; V14-D35 HydrophobicContact CG2-CB 4.11Å; V14-V38 HydrophobicContact CG2-CB 4.16Å; V14-V38 HydrophobicContact CG2-CG1 4.48Å; V14-V38 HydrophobicContact CG2-CG2 3.89Å
15K89.9Confident74.4Confident129 Ų12984.5 Ų84.556%0.56146%0.458SS*.Hα-helixtrans-57.6-44.5174.5-68.3-169.5177.8-1730111.9T10 S11 P12 L18 G19T10-K15 WeakPolarHBondContact OG1-CE 3.22Å; T10-K15 WeakPolarHBondContact OG1-CG 3.27Å; S11-K15 PolarHBondContact O-N 3.02Å; P12-K15 PolarHBondContact O-N 3.03Å; K15-L18 PolarHBondContact O-N 2.74Å; K15-G19 PolarHBondContact O-N 3.05Å
16R91.9Very high75.9Confident121 Ų12182.8 Ų82.846%0.45744%0.437SS..Hα-helixtrans-62.7-50.4177.9-161.3-173.8-58.6142.7-7.2111.6P12 A13 V14 L18 G19 W20 E52P12-R16 WeakPolarHBondContact O-CB 3.41Å; P12-R16 PolarHBondContact O-N 2.58Å; A13-R16 PolarHBondContact O-N 2.89Å; V14-R16 VanDerWaalsContact C-N 3.32Å; V14-R16 PolarHBondContact O-N 2.73Å; R16-L18 VanDerWaalsContact C-N 3.29Å; R16-L18 PolarHBondContact O-N 3.17Å; R16-G19 WeakPolarHBondContact O-CA 3.3Å; R16-G19 PolarHBondContact O-N 3.23Å; R16-W20 HydrophobicContact CG-CH2 3.91Å; R16-W20 HydrophobicContact CG-CZ3 3.96Å; R16-W20 VanDerWaalsContact O-CE3 3.27Å; R16-W20 WeakPolarHBondContact O-CZ3 3.42Å; R16-E52 WeakPolarHBondContact CD-OE1 3.27Å; R16-E52 IonicContact CZ-OE1 3.33Å; R16-E52 IonicContact CZ-OE2 3.74Å; R16-E52 IonicContact NE-OE1 3.63Å; R16-E52 IonicContact NH1-OE1 3.07Å; R16-E52 PolarHBondContact NH1-OE1 3.14Å; R16-E52 IonicContact NH1-OE2 3.55Å; R16-E52 PolarHBondContact NH1-OE2 3.19Å
17L92.8Very high78Confident0 Ų081.4 Ų81.40%043%0.427CS..Hα-helixtrans-64-29.5179.4-73.6173.8000113.8A13 V14 G19 W20 V34 V38 M48 L51 E52 L55 W92A13-L17 WeakPolarHBondContact O-CB 3.49Å; A13-L17 VanDerWaalsContact O-CG 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.25Å; A13-L17 PolarHBondContact O-N 3.28Å; V14-L17 PolarHBondContact O-N 3.12Å; L17-G19 VanDerWaalsContact C-N 3.29Å; L17-W20 HydrophobicContact CD2-CE3 4.31Å; L17-W20 HydrophobicContact CD2-CZ3 4.06Å; L17-V34 HydrophobicContact CB-CG1 3.54Å; L17-V34 HydrophobicContact CD1-CG1 3.95Å; L17-V34 HydrophobicContact CG-CG1 4.43Å; L17-V38 HydrophobicContact CD1-CG2 3.53Å; L17-M48 HydrophobicContact CD1-SD 4.34Å; L17-L51 HydrophobicContact CD1-CD2 4.14Å; L17-L51 HydrophobicContact CD2-CD2 3.81Å; L17-L51 HydrophobicContact CD2-CG 4.01Å; L17-E52 HydrophobicContact CD2-CG 4.08Å; L17-L55 HydrophobicContact CD2-CD1 3.55Å; L17-W92 HydrophobicContact CB-CZ2 4.29Å; L17-W92 HydrophobicContact CD2-CZ2 4.32Å; L17-W92 PolarHBondContact O-NE1 2.91Å
18L92.6Very high80.3Confident37 Ų3781.1 Ų81.119%0.19443%0.425CS..Hα-helixtrans-72.5-19.9171.7-71.7168.9000113.1V14 K15 R16 W20 K21 A30 E31 V34V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.25Å; V14-L18 VanDerWaalsContact O-CG 3.26Å; V14-L18 WeakPolarHBondContact O-CG 3.48Å; V14-L18 PolarHBondContact O-N 2.77Å; K15-L18 PolarHBondContact O-N 2.74Å; R16-L18 VanDerWaalsContact C-N 3.29Å; R16-L18 PolarHBondContact O-N 3.17Å; L18-W20 PolarHBondContact O-N 3.15Å; L18-K21 HydrophobicContact CD2-CD 4.28Å; L18-K21 WeakPolarHBondContact O-CB 3.29Å; L18-K21 PolarHBondContact O-N 2.78Å; L18-A30 HydrophobicContact CD2-CB 4.16Å; L18-E31 HydrophobicContact CD1-CB 4.22Å; L18-E31 HydrophobicContact CD1-CG 4.21Å; L18-V34 HydrophobicContact CD2-CB 4.37Å; L18-V34 HydrophobicContact CD2-CG2 3.94Å; L18-V34 HydrophobicContact CG-CG2 4.45Å
19G90.4Very high82.5Confident66 Ų6678 Ų7868%0.6840%0.397SS*.THydrogen-bonded Turntrans-64.3-18.9175.100000114.4K15 R16 L17K15-G19 PolarHBondContact O-N 3.05Å; R16-G19 WeakPolarHBondContact O-CA 3.3Å; R16-G19 PolarHBondContact O-N 3.23Å; L17-G19 VanDerWaalsContact C-N 3.29Å
20W92.9Very high84.4Confident73 Ų7368.9 Ų68.928%0.27736%0.358SS..THydrogen-bonded Turntrans-98.84.2172.1-61.7-76.3000113.5R16 L17 L18 Q22 E52 L55R16-W20 HydrophobicContact CG-CH2 3.91Å; R16-W20 HydrophobicContact CG-CZ3 3.96Å; R16-W20 VanDerWaalsContact O-CE3 3.27Å; R16-W20 WeakPolarHBondContact O-CZ3 3.42Å; L17-W20 HydrophobicContact CD2-CE3 4.31Å; L17-W20 HydrophobicContact CD2-CZ3 4.06Å; L18-W20 PolarHBondContact O-N 3.15Å; W20-Q22 PolarHBondContact O-NE2 2.66Å; W20-E52 HydrophobicContact CH2-CB 4.41Å; W20-E52 HydrophobicContact CH2-CG 4.37Å; W20-E52 HydrophobicContact CZ3-CG 4.33Å; W20-L55 HydrophobicContact CB-CB 4.45Å; W20-L55 HydrophobicContact CD2-CB 3.72Å; W20-L55 HydrophobicContact CD2-CD1 4.32Å; W20-L55 HydrophobicContact CE3-CB 3.91Å; W20-L55 HydrophobicContact CE3-CD1 3.8Å; W20-L55 HydrophobicContact CG-CB 3.96Å; W20-L55 HydrophobicContact CZ3-CB 4.43Å; W20-L55 HydrophobicContact CZ3-CD1 4.39Å
21K92.3Very high85.8Confident41 Ų4170.3 Ų70.318%0.17836%0.362CS..  trans-60138.8-179.8-177.9178.872.782.70110.4L18 G23 A30 V91L18-K21 HydrophobicContact CD2-CD 4.28Å; L18-K21 WeakPolarHBondContact O-CB 3.29Å; L18-K21 PolarHBondContact O-N 2.78Å; K21-G23 PolarHBondContact NZ-O 2.77Å; K21-A30 HydrophobicContact CD-CB 3.5Å; K21-A30 HydrophobicContact CG-CB 4.46Å; K21-V91 CarbonylContact C-O 3.6Å; K21-V91 VanDerWaalsContact CA-O 3.32Å; K21-V91 WeakPolarHBondContact CA-O 3.37Å; K21-V91 HydrophobicContact CG-CG1 4.4Å
22Q88.2Confident86.4Confident91 Ų9173.4 Ų73.443%0.42537%0.371SS..  trans-100.8140.1175.1-59.9-57-48.200111.3W20 V91 W92 P95W20-Q22 PolarHBondContact O-NE2 2.66Å; Q22-V91 PolarHBondContact N-O 2.98Å; Q22-W92 VanDerWaalsContact CG-C 3.41Å; Q22-W92 VanDerWaalsContact CG-O 3.26Å; Q22-W92 WeakPolarHBondContact CG-O 3.3Å; Q22-P95 HydrophobicContact CB-CG 4.11Å; Q22-P95 WeakPolarHBondContact O-CB 3Å
23G79.3Confident86.9Confident37 Ų3768.9 Ų68.938%0.38134%0.341SS..SBendtrans68.2155.4-179.100000114.3K21K21-G23 PolarHBondContact NZ-O 2.77Å
24D72.4Confident87.3Confident154 Ų15468.3 Ų68.382%0.82434%0.337SS*.SBendtrans-94.9-20.2-175.9-61.8-44.1000114.1E26D24-E26 PolarHBondContact O-N 3.08Å
25E57.4Low87.4Confident104 Ų10470.7 Ų70.749%0.48635%0.349SS..THydrogen-bonded Turntrans-60.8136.9177.6-56.8-155.3120.300110.9N352 K445E25-N352 PolarHBondContact OE1-ND2 2.92Å; E25-K445 IonicContact OE2-NZ 2.75Å
26E77.1Confident87.5Confident75 Ų7565.8 Ų65.835%0.3533%0.333SS..THydrogen-bonded Turntrans71.330.5169-114.7167.6-143.800118.5D24 K28 W29 A30 R80D24-E26 PolarHBondContact O-N 3.08Å; E26-K28 PolarHBondContact O-N 2.84Å; E26-W29 HydrophobicContact CB-CB 4.25Å; E26-W29 HydrophobicContact CG-CB 3.88Å; E26-W29 WeakPolarHBondContact O-CA 3.45Å; E26-W29 WeakPolarHBondContact O-CB 3.49Å; E26-W29 PolarHBondContact O-N 3.17Å; E26-A30 PolarHBondContact O-N 2.76Å; E26-R80 IonicContact OE1-CZ 2.74Å; E26-R80 IonicContact OE1-NH1 3.33Å; E26-R80 PolarHBondContact OE1-NH1 3.49Å; E26-R80 IonicContact OE1-NH2 2.64Å; E26-R80 PolarHBondContact OE1-NH2 2.9Å; E26-R80 IonicContact OE2-CZ 3.84Å; E26-R80 IonicContact OE2-NH1 3.66Å; E26-R80 PolarHBondContact OE2-NH1 2.93Å; E26-R80 IonicContact OE2-NH2 2.87Å
27E82.4Confident87.7Confident129 Ų12960 Ų6060%0.60331%0.311SS*.Hα-helixtrans-43-53.4176.4-171.8-178.5-157.800114.8W29 A30 E31E27-W29 PolarHBondContact O-N 3.19Å; E27-W29 VanDerWaalsContact O-N 3.14Å; E27-A30 PolarHBondContact O-N 2.96Å; E27-A30 VanDerWaalsContact O-N 3.11Å; E27-E31 WeakPolarHBondContact O-CB 3.23Å; E27-E31 PolarHBondContact O-N 2.85Å
28K86.6Confident87.8Confident167 Ų16760.1 Ų60.173%0.72631%0.312SS*.Hα-helixtrans-61.5-21.8178.7-66.9-177.5-179.2176.70114.3E26 K32E26-K28 PolarHBondContact O-N 2.84Å; K28-K32 WeakPolarHBondContact O-CG 3.34Å
29W90Very high87.7Confident39 Ų3964.3 Ų64.315%0.14833%0.329CS..Hα-helixtrans-83.8-43.8174174.385.3000110.8E26 E27 E31 K32 A33 I87 V91E26-W29 HydrophobicContact CB-CB 4.25Å; E26-W29 HydrophobicContact CG-CB 3.88Å; E26-W29 WeakPolarHBondContact O-CA 3.45Å; E26-W29 WeakPolarHBondContact O-CB 3.49Å; E26-W29 PolarHBondContact O-N 3.17Å; E27-W29 PolarHBondContact O-N 3.19Å; E27-W29 VanDerWaalsContact O-N 3.14Å; W29-E31 VanDerWaalsContact C-N 3.33Å; W29-E31 PolarHBondContact O-N 3.17Å; W29-K32 PolarHBondContact O-N 3.41Å; W29-A33 PolarHBondContact O-N 3.47Å; W29-I87 HydrophobicContact CH2-CG2 3.9Å; W29-I87 HydrophobicContact CZ2-CG1 4.37Å; W29-I87 HydrophobicContact CZ2-CG2 4.13Å; W29-V91 HydrophobicContact CH2-CG2 4.26Å; W29-V91 HydrophobicContact CZ3-CG2 3.79Å
30A91.7Very high87.8Confident4 Ų464.6 Ų64.63%0.03331%0.311CS..Hα-helixtrans-60.7-42175.900000111.6L18 K21 E26 E27 K32 A33 V34 V91L18-A30 HydrophobicContact CD2-CB 4.16Å; K21-A30 HydrophobicContact CD-CB 3.5Å; K21-A30 HydrophobicContact CG-CB 4.46Å; E26-A30 PolarHBondContact O-N 2.76Å; E27-A30 PolarHBondContact O-N 2.96Å; E27-A30 VanDerWaalsContact O-N 3.11Å; A30-K32 PolarHBondContact O-N 2.84Å; A30-A33 WeakPolarHBondContact O-CB 3.42Å; A30-A33 PolarHBondContact O-N 3.15Å; A30-A33 VanDerWaalsContact O-N 3.12Å; A30-V34 WeakPolarHBondContact O-CG2 3.34Å; A30-V34 PolarHBondContact O-N 2.8Å; A30-V91 HydrophobicContact CB-CG2 4.42Å
31E92.8Very high87.8Confident64 Ų6461.2 Ų61.230%0.29930%0.298SS..Hα-helixtrans-54.2-49.1173.4-173.5-167.7166.300111.7T10 L18 E27 W29 A33 V34 D35T10-E31 HydrophobicContact CG2-CG 3.99Å; T10-E31 WeakPolarHBondContact CG2-OE1 3.04Å; L18-E31 HydrophobicContact CD1-CB 4.22Å; L18-E31 HydrophobicContact CD1-CG 4.21Å; E27-E31 WeakPolarHBondContact O-CB 3.23Å; E27-E31 PolarHBondContact O-N 2.85Å; W29-E31 VanDerWaalsContact C-N 3.33Å; W29-E31 PolarHBondContact O-N 3.17Å; E31-A33 PolarHBondContact O-N 2.75Å; E31-V34 PolarHBondContact O-N 2.75Å; E31-D35 WeakPolarHBondContact O-CB 3.48Å; E31-D35 PolarHBondContact O-N 2.93Å
32K92.6Very high87.7Confident103 Ų10365.8 Ų65.845%0.44832%0.318SS..Hα-helixtrans-65.6-35.3176.2-70.5178.1179.7-178.90112.8K28 W29 A30 A36 V77 S78K28-K32 WeakPolarHBondContact O-CG 3.34Å; W29-K32 PolarHBondContact O-N 3.41Å; A30-K32 PolarHBondContact O-N 2.84Å; K32-A36 VanDerWaalsContact O-CB 3.27Å; K32-A36 WeakPolarHBondContact O-CB 3.35Å; K32-A36 PolarHBondContact O-N 3.21Å; K32-A36 VanDerWaalsContact O-N 3.07Å; K32-V77 HydrophobicContact CB-CG1 4.03Å; K32-S78 PolarHBondContact NZ-OG 2.96Å
33A93.9Very high87.7Confident0 Ų070.4 Ų70.40%034%0.337CS..Hα-helixtrans-66.9-43.6177.300000111.7W29 A30 E31 L37 V77 I87 Y88W29-A33 PolarHBondContact O-N 3.47Å; A30-A33 WeakPolarHBondContact O-CB 3.42Å; A30-A33 PolarHBondContact O-N 3.15Å; A30-A33 VanDerWaalsContact O-N 3.12Å; E31-A33 PolarHBondContact O-N 2.75Å; A33-L37 PolarHBondContact O-N 3.09Å; A33-V77 HydrophobicContact CB-CG1 3.92Å; A33-V77 HydrophobicContact CB-CG2 4.27Å; A33-I87 HydrophobicContact CB-CG2 4.22Å; A33-Y88 HydrophobicContact CB-CE1 4.46Å; A33-Y88 PolarHBondContact O-OH 2.73Å; A33-Y88 VanDerWaalsContact O-OH 3.05Å
34V95.3Very high88.2Confident0 Ų072.8 Ų72.80%034%0.337CS..Hα-helixtrans-71.9-41.6179.1175.10000111.1V14 L17 L18 A30 E31 A36 L37 V38 V91 W92V14-V34 HydrophobicContact CB-CG1 4.31Å; V14-V34 HydrophobicContact CG1-CB 4.36Å; V14-V34 HydrophobicContact CG1-CG1 3.98Å; V14-V34 HydrophobicContact CG2-CG1 4.36Å; L17-V34 HydrophobicContact CB-CG1 3.54Å; L17-V34 HydrophobicContact CD1-CG1 3.95Å; L17-V34 HydrophobicContact CG-CG1 4.43Å; L18-V34 HydrophobicContact CD2-CB 4.37Å; L18-V34 HydrophobicContact CD2-CG2 3.94Å; L18-V34 HydrophobicContact CG-CG2 4.45Å; A30-V34 WeakPolarHBondContact O-CG2 3.34Å; A30-V34 PolarHBondContact O-N 2.8Å; E31-V34 PolarHBondContact O-N 2.75Å; V34-A36 PolarHBondContact O-N 2.96Å; V34-L37 WeakPolarHBondContact O-CB 3.37Å; V34-L37 PolarHBondContact O-N 3.23Å; V34-L37 VanDerWaalsContact O-N 3.14Å; V34-V38 HydrophobicContact CG1-CG2 4.36Å; V34-V38 WeakPolarHBondContact O-CG2 3.1Å; V34-V38 PolarHBondContact O-N 2.89Å; V34-V91 HydrophobicContact CG2-CG1 4.17Å; V34-W92 HydrophobicContact CG2-CZ2 4.06Å
35D93.4Very high89Confident50 Ų5075.8 Ų75.827%0.26734%0.342SS..Hα-helixtrans-60.7-44.6173.4172.469.9000112.2V14 E31 L37 V38 K39V14-D35 HydrophobicContact CG2-CB 4.11Å; E31-D35 WeakPolarHBondContact O-CB 3.48Å; E31-D35 PolarHBondContact O-N 2.93Å; D35-L37 VanDerWaalsContact C-N 3.25Å; D35-L37 PolarHBondContact O-N 3.35Å; D35-V38 PolarHBondContact O-N 2.91Å; D35-K39 WeakPolarHBondContact O-CG 3.34Å; D35-K39 PolarHBondContact O-N 3.44Å; D35-K39 VanDerWaalsContact O-N 3.08Å; D35-K39 VanDerWaalsContact OD1-CE 3.24Å; D35-K39 WeakPolarHBondContact OD1-CE 3.34Å; D35-K39 IonicContact OD1-NZ 3.14Å; D35-K39 PolarHBondContact OD1-NZ 2.77Å; D35-K39 VanDerWaalsContact OD2-CE 3.29Å; D35-K39 WeakPolarHBondContact OD2-CE 3.19Å; D35-K39 IonicContact OD2-NZ 3.39Å; D35-K39 PolarHBondContact OD2-NZ 2.9Å
36A92.4Very high90.5Very high26 Ų2672.4 Ų72.422%0.21534%0.336CS..Hα-helixtrans-61.7-33.1174.200000112.7K32 V34 K40K32-A36 VanDerWaalsContact O-CB 3.27Å; K32-A36 WeakPolarHBondContact O-CB 3.35Å; K32-A36 PolarHBondContact O-N 3.21Å; K32-A36 VanDerWaalsContact O-N 3.07Å; V34-A36 PolarHBondContact O-N 2.96Å; A36-K40 WeakPolarHBondContact O-CG 3.36Å; A36-K40 PolarHBondContact O-N 2.86Å
37L95.1Very high91.2Very high0 Ų069.2 Ų69.20%032%0.322CS..Hα-helixtrans-70.9-50.3174-174.662.7000112.2A33 V34 D35 K39 K40 L41 L51 I67 Y88 W92 I122A33-L37 PolarHBondContact O-N 3.09Å; V34-L37 WeakPolarHBondContact O-CB 3.37Å; V34-L37 PolarHBondContact O-N 3.23Å; V34-L37 VanDerWaalsContact O-N 3.14Å; D35-L37 VanDerWaalsContact C-N 3.25Å; D35-L37 PolarHBondContact O-N 3.35Å; L37-K39 PolarHBondContact O-N 2.96Å; L37-K40 CarbonylContact O-C 3.45Å; L37-K40 WeakPolarHBondContact O-CA 3.28Å; L37-K40 WeakPolarHBondContact O-CB 3.24Å; L37-K40 PolarHBondContact O-N 2.93Å; L37-L41 HydrophobicContact CD1-CD1 4.05Å; L37-L41 HydrophobicContact CD1-CD2 4.21Å; L37-L41 HydrophobicContact CD1-CG 3.89Å; L37-L41 HydrophobicContact CD2-CD1 3.93Å; L37-L41 HydrophobicContact CG-CD1 3.69Å; L37-L41 HydrophobicContact CG-CG 3.91Å; L37-L41 PolarHBondContact O-N 2.92Å; L37-L51 HydrophobicContact CD2-CD2 3.7Å; L37-I67 HydrophobicContact CD1-CG2 3.57Å; L37-Y88 HydrophobicContact CB-CE1 3.79Å; L37-Y88 WeakPolarHBondContact CB-OH 3.47Å; L37-Y88 HydrophobicContact CD1-CE1 4.42Å; L37-Y88 HydrophobicContact CD1-CE2 4Å; L37-Y88 HydrophobicContact CD2-CD1 4Å; L37-Y88 HydrophobicContact CD2-CE1 3.8Å; L37-Y88 HydrophobicContact CG-CE1 4.21Å; L37-W92 HydrophobicContact CD2-CH2 3.5Å; L37-W92 HydrophobicContact CD2-CZ3 4.16Å; L37-I122 HydrophobicContact CD1-CD1 4.13Å; L37-I122 HydrophobicContact CD1-CG1 4.06Å; L37-I122 HydrophobicContact CD2-CD1 3.94Å
38V94.3Very high91.8Very high2 Ų264.3 Ų64.31%0.01230%0.3CS..Hα-helixtrans-56.8-38.8-178.7168.40000110.5A13 V14 L17 V34 D35 K40 L41 K42A13-V38 HydrophobicContact CB-CG1 4.27Å; A13-V38 HydrophobicContact CB-CG2 4.42Å; V14-V38 HydrophobicContact CG2-CB 4.16Å; V14-V38 HydrophobicContact CG2-CG1 4.48Å; V14-V38 HydrophobicContact CG2-CG2 3.89Å; L17-V38 HydrophobicContact CD1-CG2 3.53Å; V34-V38 HydrophobicContact CG1-CG2 4.36Å; V34-V38 WeakPolarHBondContact O-CG2 3.1Å; V34-V38 PolarHBondContact O-N 2.89Å; D35-V38 PolarHBondContact O-N 2.91Å; V38-K40 VanDerWaalsContact C-N 3.28Å; V38-K40 PolarHBondContact O-N 3.43Å; V38-L41 PolarHBondContact O-N 3.43Å; V38-K42 HydrophobicContact CG1-CD 4.11Å; V38-K42 HydrophobicContact CG1-CG 4.44Å; V38-K42 WeakPolarHBondContact O-CB 3.36Å; V38-K42 VanDerWaalsContact O-CG 3.26Å; V38-K42 WeakPolarHBondContact O-CG 3.48Å; V38-K42 PolarHBondContact O-N 3.39Å
39K91.9Very high92.1Very high126 Ų12661.9 Ų61.955%0.54829%0.291SS..Hα-helixtrans-63.3-27.9173.2-73.4167.9178.11670114D35 L37D35-K39 WeakPolarHBondContact O-CG 3.34Å; D35-K39 PolarHBondContact O-N 3.44Å; D35-K39 VanDerWaalsContact O-N 3.08Å; D35-K39 VanDerWaalsContact OD1-CE 3.24Å; D35-K39 WeakPolarHBondContact OD1-CE 3.34Å; D35-K39 IonicContact OD1-NZ 3.14Å; D35-K39 PolarHBondContact OD1-NZ 2.77Å; D35-K39 VanDerWaalsContact OD2-CE 3.29Å; D35-K39 WeakPolarHBondContact OD2-CE 3.19Å; D35-K39 IonicContact OD2-NZ 3.39Å; D35-K39 PolarHBondContact OD2-NZ 2.9Å; L37-K39 PolarHBondContact O-N 2.96Å
40K91.8Very high92.3Very high71 Ų7161.3 Ų61.331%0.30929%0.29SS..Hα-helixtrans-82.8-47.9173.8-71167.2177.4-80.60111.6A36 L37 V38 K42 K43 I67A36-K40 WeakPolarHBondContact O-CG 3.36Å; A36-K40 PolarHBondContact O-N 2.86Å; L37-K40 CarbonylContact O-C 3.45Å; L37-K40 WeakPolarHBondContact O-CA 3.28Å; L37-K40 WeakPolarHBondContact O-CB 3.24Å; L37-K40 PolarHBondContact O-N 2.93Å; V38-K40 VanDerWaalsContact C-N 3.28Å; V38-K40 PolarHBondContact O-N 3.43Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3.26Å; K40-K43 WeakPolarHBondContact O-CB 3.47Å; K40-K43 PolarHBondContact O-N 3Å; K40-I67 HydrophobicContact CB-CG2 4.28Å; K40-I67 HydrophobicContact CD-CB 4.42Å; K40-I67 HydrophobicContact CD-CD1 4.17Å; K40-I67 HydrophobicContact CD-CG2 4.36Å
41L93.6Very high92.5Very high2 Ų261.1 Ų61.11%0.0129%0.288CS..Hα-helixtrans-65.3-32.4-177.5-63-178.6000112.6L37 V38 K43 K44 A47 M48 L51 V65 I67L37-L41 HydrophobicContact CD1-CD1 4.05Å; L37-L41 HydrophobicContact CD1-CD2 4.21Å; L37-L41 HydrophobicContact CD1-CG 3.89Å; L37-L41 HydrophobicContact CD2-CD1 3.93Å; L37-L41 HydrophobicContact CG-CD1 3.69Å; L37-L41 HydrophobicContact CG-CG 3.91Å; L37-L41 PolarHBondContact O-N 2.92Å; V38-L41 PolarHBondContact O-N 3.43Å; L41-K43 PolarHBondContact O-N 3.21Å; L41-K44 CarbonylContact O-C 3.58Å; L41-K44 PolarHBondContact O-N 2.99Å; L41-K44 VanDerWaalsContact O-O 3.04Å; L41-A47 HydrophobicContact CD2-CB 4.07Å; L41-M48 HydrophobicContact CB-CG 4.39Å; L41-L51 HydrophobicContact CD1-CB 4.38Å; L41-L51 HydrophobicContact CD1-CD2 3.58Å; L41-V65 HydrophobicContact CD1-CG1 4.1Å; L41-V65 HydrophobicContact CD2-CG1 3.74Å; L41-I67 HydrophobicContact CD2-CG2 4.1Å
42K90.1Very high92.5Very high137 Ų13759.6 Ų59.660%0.59628%0.281SS*.THydrogen-bonded Turntrans-56.2-16.4171.2-79.8175.7177.1-179.70114.6V38 K40V38-K42 HydrophobicContact CG1-CD 4.11Å; V38-K42 HydrophobicContact CG1-CG 4.44Å; V38-K42 WeakPolarHBondContact O-CB 3.36Å; V38-K42 VanDerWaalsContact O-CG 3.26Å; V38-K42 WeakPolarHBondContact O-CG 3.48Å; V38-K42 PolarHBondContact O-N 3.39Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3.26Å
43K88.8Confident92.6Very high188 Ų18859.3 Ų59.382%0.81728%0.277SS*.THydrogen-bonded Turntrans-84.8-12.7174.5-56.9-171.8177.3-168.40113.8K40 L41K40-K43 WeakPolarHBondContact O-CB 3.47Å; K40-K43 PolarHBondContact O-N 3Å; L41-K43 PolarHBondContact O-N 3.21Å
44K88.3Confident92.6Very high88 Ų8859.4 Ų59.438%0.38328%0.278SS..SBendtrans-122.7103.1-178.3-173.6172.3176.9168.60109.2L41 G46 A47 T66 D119L41-K44 CarbonylContact O-C 3.58Å; L41-K44 PolarHBondContact O-N 2.99Å; L41-K44 VanDerWaalsContact O-O 3.04Å; K44-G46 PolarHBondContact O-N 2.84Å; K44-A47 HydrophobicContact CB-CB 3.94Å; K44-A47 HydrophobicContact CD-CB 4.15Å; K44-A47 HydrophobicContact CG-CB 3.93Å; K44-A47 VanDerWaalsContact O-CB 3.29Å; K44-A47 WeakPolarHBondContact O-CB 3.46Å; K44-A47 PolarHBondContact O-N 3.22Å; K44-A47 VanDerWaalsContact O-N 3.1Å; K44-T66 PolarHBondContact NZ-OG1 2.85Å; K44-D119 IonicContact NZ-OD2 3.7Å
45K89.1Confident92.5Very high216 Ų21659.5 Ų59.594%0.93928%0.278SS*.THydrogen-bonded Turntrans-52.9131.9-179.2-171.7-179.7-179.6-176.40110.7A47K45-A47 VanDerWaalsContact C-N 3.29Å; K45-A47 PolarHBondContact O-N 2.9Å
46G89.3Confident92.5Very high34 Ų3460.2 Ų60.235%0.35129%0.287SS..THydrogen-bonded Turntrans84.1-14.8-179.400000115.5K44 M48 E49 E50K44-G46 PolarHBondContact O-N 2.84Å; G46-M48 VanDerWaalsContact C-N 3.29Å; G46-M48 PolarHBondContact O-N 3.39Å; G46-E49 WeakPolarHBondContact CA-OE2 3.5Å; G46-E49 PolarHBondContact N-OE2 2.98Å; G46-E50 VanDerWaalsContact O-CB 3.29Å; G46-E50 WeakPolarHBondContact O-CB 3.48Å; G46-E50 PolarHBondContact O-N 3.48Å
47A92.7Very high92.4Very high7 Ų761.7 Ų61.76%0.05830%0.295CS..Hα-helixtrans-76.1-16.1-174.900000114L41 K44 K45 L51L41-A47 HydrophobicContact CD2-CB 4.07Å; K44-A47 HydrophobicContact CB-CB 3.94Å; K44-A47 HydrophobicContact CD-CB 4.15Å; K44-A47 HydrophobicContact CG-CB 3.93Å; K44-A47 VanDerWaalsContact O-CB 3.29Å; K44-A47 WeakPolarHBondContact O-CB 3.46Å; K44-A47 PolarHBondContact O-N 3.22Å; K44-A47 VanDerWaalsContact O-N 3.1Å; K45-A47 VanDerWaalsContact C-N 3.29Å; K45-A47 PolarHBondContact O-N 2.9Å; A47-L51 PolarHBondContact O-N 3.46Å
48M94Very high92Very high27 Ų2765.7 Ų65.713%0.13332%0.321CS..Hα-helixtrans-84.2-45.4177.8-141.7-71.7-58.700109.6A13 L17 L41 G46 L51 E52A13-M48 HydrophobicContact CB-CE 4.19Å; A13-M48 HydrophobicContact CB-SD 4.11Å; L17-M48 HydrophobicContact CD1-SD 4.34Å; L41-M48 HydrophobicContact CB-CG 4.39Å; G46-M48 VanDerWaalsContact C-N 3.29Å; G46-M48 PolarHBondContact O-N 3.39Å; M48-L51 WeakPolarHBondContact O-CB 3.31Å; M48-L51 PolarHBondContact O-N 3.31Å; M48-E52 HydrophobicContact CE-CG 4.41Å; M48-E52 WeakPolarHBondContact CE-OE1 3.11Å; M48-E52 WeakPolarHBondContact O-CG 3.35Å; M48-E52 PolarHBondContact O-N 3.18Å; M48-E52 HydrophobicContact SD-CG 4.25Å
49E93.5Very high91.1Very high115 Ų11568.9 Ų68.954%0.53735%0.354SS..Hα-helixtrans-61.6-41.7174.7-59.179.5-179.900111.4G46 E52 R53G46-E49 WeakPolarHBondContact CA-OE2 3.5Å; G46-E49 PolarHBondContact N-OE2 2.98Å; E49-E52 PolarHBondContact O-N 2.85Å; E49-R53 WeakPolarHBondContact O-CB 3.26Å; E49-R53 PolarHBondContact O-N 3.38Å
50E94.1Very high90.9Very high28 Ų2869 Ų6913%0.13136%0.357CS..Hα-helixtrans-66.4-34.6176-174.660.3-150.300112.7G46 R53 A54 N63 V65G46-E50 VanDerWaalsContact O-CB 3.29Å; G46-E50 WeakPolarHBondContact O-CB 3.48Å; G46-E50 PolarHBondContact O-N 3.48Å; E50-R53 VanDerWaalsContact CD-NH2 3.34Å; E50-R53 IonicContact OE1-CZ 3.96Å; E50-R53 IonicContact OE1-NE 3.61Å; E50-R53 PolarHBondContact OE1-NE 3.34Å; E50-R53 IonicContact OE1-NH2 2.56Å; E50-R53 PolarHBondContact OE1-NH2 3.32Å; E50-R53 IonicContact OE2-CZ 2.79Å; E50-R53 IonicContact OE2-NE 3.43Å; E50-R53 PolarHBondContact OE2-NE 3Å; E50-R53 IonicContact OE2-NH2 2.78Å; E50-R53 PolarHBondContact OE2-NH2 2.88Å; E50-R53 VanDerWaalsContact OE2-NH2 3.14Å; E50-A54 WeakPolarHBondContact O-CB 3.35Å; E50-A54 PolarHBondContact O-N 2.86Å; E50-N63 HydrophobicContact CG-CB 3.96Å; E50-N63 WeakPolarHBondContact OE1-CB 3.39Å; E50-N63 PolarHBondContact OE1-N 2.85Å; E50-N63 PolarHBondContact OE1-ND2 3.46Å; E50-N63 PolarHBondContact OE2-ND2 2.91Å; E50-N63 VanDerWaalsContact OE2-ND2 3.11Å; E50-V65 HydrophobicContact CB-CG2 4.29Å; E50-V65 HydrophobicContact CG-CG2 3.98Å
51L95.2Very high90.7Very high0 Ų070.8 Ų70.80%038%0.376CS..Hα-helixtrans-68.4-44.3173.3-179.862.1000111.7L17 L37 L41 A47 M48 R53 A54 L55 V65 W92 I122L17-L51 HydrophobicContact CD1-CD2 4.14Å; L17-L51 HydrophobicContact CD2-CD2 3.81Å; L17-L51 HydrophobicContact CD2-CG 4.01Å; L37-L51 HydrophobicContact CD2-CD2 3.7Å; L41-L51 HydrophobicContact CD1-CB 4.38Å; L41-L51 HydrophobicContact CD1-CD2 3.58Å; A47-L51 PolarHBondContact O-N 3.46Å; M48-L51 WeakPolarHBondContact O-CB 3.31Å; M48-L51 PolarHBondContact O-N 3.31Å; L51-R53 VanDerWaalsContact C-N 3.31Å; L51-R53 PolarHBondContact O-N 3.42Å; L51-A54 PolarHBondContact O-N 2.79Å; L51-L55 HydrophobicContact CD1-CD1 4.07Å; L51-L55 HydrophobicContact CD1-CG 4.18Å; L51-L55 HydrophobicContact CG-CD1 4.02Å; L51-L55 HydrophobicContact CG-CG 4.48Å; L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 2.94Å; L51-V65 HydrophobicContact CB-CG1 4.09Å; L51-V65 HydrophobicContact CB-CG2 3.96Å; L51-V65 HydrophobicContact CD1-CG1 4.44Å; L51-V65 HydrophobicContact CD1-CG2 4.32Å; L51-W92 HydrophobicContact CD1-CH2 4.29Å; L51-W92 HydrophobicContact CD1-CZ3 4.08Å; L51-W92 HydrophobicContact CD2-CH2 3.8Å; L51-W92 HydrophobicContact CD2-CZ2 4.45Å; L51-W92 HydrophobicContact CD2-CZ3 4.36Å; L51-I122 HydrophobicContact CD1-CD1 4.15Å; L51-I122 HydrophobicContact CD2-CD1 4.48Å
52E94.1Very high90.7Very high31 Ų3171.6 Ų71.615%0.14538%0.382CS..Hα-helixtrans-62.1-40.8176-69.7-175.6169.400111.1R16 L17 W20 M48 E49 L55 S56R16-E52 WeakPolarHBondContact CD-OE1 3.27Å; R16-E52 IonicContact CZ-OE1 3.33Å; R16-E52 IonicContact CZ-OE2 3.74Å; R16-E52 IonicContact NE-OE1 3.63Å; R16-E52 IonicContact NH1-OE1 3.07Å; R16-E52 PolarHBondContact NH1-OE1 3.14Å; R16-E52 IonicContact NH1-OE2 3.55Å; R16-E52 PolarHBondContact NH1-OE2 3.19Å; L17-E52 HydrophobicContact CD2-CG 4.08Å; W20-E52 HydrophobicContact CH2-CB 4.41Å; W20-E52 HydrophobicContact CH2-CG 4.37Å; W20-E52 HydrophobicContact CZ3-CG 4.33Å; M48-E52 HydrophobicContact CE-CG 4.41Å; M48-E52 WeakPolarHBondContact CE-OE1 3.11Å; M48-E52 WeakPolarHBondContact O-CG 3.35Å; M48-E52 PolarHBondContact O-N 3.18Å; M48-E52 HydrophobicContact SD-CG 4.25Å; E49-E52 PolarHBondContact O-N 2.85Å; E52-L55 PolarHBondContact O-N 3.39Å; E52-S56 WeakPolarHBondContact O-CB 3.28Å; E52-S56 PolarHBondContact O-N 3.1Å; E52-S56 PolarHBondContact O-OG 3.16Å
53R93.6Very high90.9Very high98 Ų9869.9 Ų69.937%0.3738%0.379SS..Hα-helixtrans-59.9-45.2173.2-172.9175.67992.1-11.7112.5E49 E50 L51 S56 C57 P61 N63E49-R53 WeakPolarHBondContact O-CB 3.26Å; E49-R53 PolarHBondContact O-N 3.38Å; E50-R53 VanDerWaalsContact CD-NH2 3.34Å; E50-R53 IonicContact OE1-CZ 3.96Å; E50-R53 IonicContact OE1-NE 3.61Å; E50-R53 PolarHBondContact OE1-NE 3.34Å; E50-R53 IonicContact OE1-NH2 2.56Å; E50-R53 PolarHBondContact OE1-NH2 3.32Å; E50-R53 IonicContact OE2-CZ 2.79Å; E50-R53 IonicContact OE2-NE 3.43Å; E50-R53 PolarHBondContact OE2-NE 3Å; E50-R53 IonicContact OE2-NH2 2.78Å; E50-R53 PolarHBondContact OE2-NH2 2.88Å; E50-R53 VanDerWaalsContact OE2-NH2 3.14Å; L51-R53 VanDerWaalsContact C-N 3.31Å; L51-R53 PolarHBondContact O-N 3.42Å; R53-S56 PolarHBondContact O-OG 3.38Å; R53-C57 WeakPolarHBondContact O-CB 3.34Å; R53-C57 PolarHBondContact O-N 3.06Å; R53-C57 VanDerWaalsContact O-N 3.11Å; R53-P61 PolarHBondContact NH1-O 3.17Å; R53-N63 PolarHBondContact NH2-ND2 3.23Å
54A94.3Very high91.3Very high1 Ų161.9 Ų61.91%0.00835%0.347CS..Hα-helixtrans-65.1-40.817800000112E50 L51 Y125E50-A54 WeakPolarHBondContact O-CB 3.35Å; E50-A54 PolarHBondContact O-N 2.86Å; L51-A54 PolarHBondContact O-N 2.79Å; A54-Y125 HydrophobicContact CB-CD2 4.44Å; A54-Y125 VanDerWaalsContact O-CD2 3.3Å; A54-Y125 WeakPolarHBondContact O-CD2 3.18Å; A54-Y125 WeakPolarHBondContact O-CE2 3.37Å
55L94.3Very high91.7Very high3 Ų357.8 Ų57.82%0.01633%0.329CS..Hα-helixtrans-72.8-35.4178.8-67.4174.5000113.3L17 W20 L51 E52 W92 P124 Y125L17-L55 HydrophobicContact CD2-CD1 3.55Å; W20-L55 HydrophobicContact CB-CB 4.45Å; W20-L55 HydrophobicContact CD2-CB 3.72Å; W20-L55 HydrophobicContact CD2-CD1 4.32Å; W20-L55 HydrophobicContact CE3-CB 3.91Å; W20-L55 HydrophobicContact CE3-CD1 3.8Å; W20-L55 HydrophobicContact CG-CB 3.96Å; W20-L55 HydrophobicContact CZ3-CB 4.43Å; W20-L55 HydrophobicContact CZ3-CD1 4.39Å; L51-L55 HydrophobicContact CD1-CD1 4.07Å; L51-L55 HydrophobicContact CD1-CG 4.18Å; L51-L55 HydrophobicContact CG-CD1 4.02Å; L51-L55 HydrophobicContact CG-CG 4.48Å; L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 2.94Å; E52-L55 PolarHBondContact O-N 3.39Å; L55-W92 HydrophobicContact CD1-CD2 4.02Å; L55-W92 HydrophobicContact CD1-CG 4.33Å; L55-W92 HydrophobicContact CD1-CZ2 4.05Å; L55-W92 HydrophobicContact CD2-CB 3.8Å; L55-W92 HydrophobicContact CD2-CD2 3.84Å; L55-W92 HydrophobicContact CD2-CE3 4.22Å; L55-W92 HydrophobicContact CD2-CG 3.64Å; L55-P124 HydrophobicContact CD2-CG 3.91Å; L55-Y125 HydrophobicContact CD2-CE2 4.24Å
56S92.9Very high92Very high65 Ų6547.8 Ų47.846%0.45529%0.286SS..Hα-helixtrans-76-24.5177.565.10000114E52 R53 P58E52-S56 WeakPolarHBondContact O-CB 3.28Å; E52-S56 PolarHBondContact O-N 3.1Å; E52-S56 PolarHBondContact O-OG 3.16Å; R53-S56 PolarHBondContact O-OG 3.38Å; S56-P58 VanDerWaalsContact C-CD 3.47Å; S56-P58 WeakPolarHBondContact O-CD 3.31Å
57C90Very high92.3Very high57 Ų5746.3 Ų46.339%0.38527%0.27SS..SBendtrans-122.869.5-177.2-60.50000112.3R53 G59 Q60R53-C57 WeakPolarHBondContact O-CB 3.34Å; R53-C57 PolarHBondContact O-N 3.06Å; R53-C57 VanDerWaalsContact O-N 3.11Å; C57-G59 PolarHBondContact O-N 2.98Å; C57-Q60 HydrophobicContact CB-CB 4.11Å; C57-Q60 HydrophobicContact CB-CG 4.08Å; C57-Q60 PolarHBondContact O-N 2.6Å
58P86.1Confident92.4Very high83 Ų8349.9 Ų49.954%0.53929%0.293SS..THydrogen-bonded Turntrans-53.9133.6179.1-24.233.6000112.5S56 Q60 Y125S56-P58 VanDerWaalsContact C-CD 3.47Å; S56-P58 WeakPolarHBondContact O-CD 3.31Å; P58-Q60 VanDerWaalsContact C-N 3.26Å; P58-Q60 PolarHBondContact O-N 3.38Å; P58-Y125 HydrophobicContact CB-CE1 3.76Å; P58-Y125 WeakPolarHBondContact CG-OH 3.39Å
59G75.8Confident92.3Very high69 Ų6952.7 Ų52.771%0.71130%0.302SS*.THydrogen-bonded Turntrans78.7-4.8176.500000116C57C57-G59 PolarHBondContact O-N 2.98Å
60Q87.9Confident92.2Very high128 Ų12849.5 Ų49.560%0.59829%0.292SS*.SBendtrans-80.4149.9171.6-70.8-67.6-19.500111.8C57 P58 S62C57-Q60 HydrophobicContact CB-CB 4.11Å; C57-Q60 HydrophobicContact CB-CG 4.08Å; C57-Q60 PolarHBondContact O-N 2.6Å; P58-Q60 VanDerWaalsContact C-N 3.26Å; P58-Q60 PolarHBondContact O-N 3.38Å; Q60-S62 PolarHBondContact O-N 2.74Å
61P88.2Confident91.9Very high110 Ų11057.6 Ų57.671%0.71434%0.335SS*.  trans-55.9121.3171.8-25.935.7000112.4R53R53-P61 PolarHBondContact NH1-O 3.17Å
62S93.3Very high91.5Very high19 Ų1961.2 Ų61.213%0.13336%0.355CS..  trans-132.6154179.150.40000110.6Q60 N123 H126Q60-S62 PolarHBondContact O-N 2.74Å; S62-N123 PolarHBondContact OG-ND2 2.91Å; S62-H126 PolarHBondContact O-CE1 2.84Å; S62-H126 PolarHBondContact O-NE2 2.81Å
63N94.4Very high91.2Very high101 Ų10159.9 Ų59.954%0.5435%0.349SS..  trans-77.6166.3178.2-56.1-55000110.6E50 R53 V65 N123 H126E50-N63 HydrophobicContact CG-CB 3.96Å; E50-N63 WeakPolarHBondContact OE1-CB 3.39Å; E50-N63 PolarHBondContact OE1-N 2.85Å; E50-N63 PolarHBondContact OE1-ND2 3.46Å; E50-N63 PolarHBondContact OE2-ND2 2.91Å; E50-N63 VanDerWaalsContact OE2-ND2 3.11Å; R53-N63 PolarHBondContact NH2-ND2 3.23Å; N63-V65 PolarHBondContact O-N 2.79Å; N63-N123 PolarHBondContact O-ND2 2.78Å; N63-N123 VanDerWaalsContact O-ND2 3.1Å; N63-H126 PolarHBondContact O-CE1 3.04Å
64C95.4Very high91.1Very high20 Ų2062 Ų6214%0.13536%0.357CS..  trans-71117174.2-68.90000111.1T66 E110 Y111 C121 H126C64-T66 HydrophobicContact CB-CG2 3.97Å; C64-T66 PolarHBondContact O-N 2.86Å; C64-E110 PolarHBondContact SG-N 3.19Å; C64-Y111 HydrophobicContact CB-CD2 3.65Å; C64-Y111 HydrophobicContact CB-CE2 4.35Å; C64-C121 HydrophobicContact CB-CB 4.43Å; C64-H126 PolarHBondContact N-CE1 3.26Å; C64-H126 PolarHBondContact SG-CE1 2.79Å; C64-H126 PolarHBondContact SG-ND1 3.25Å
65V96.6Very high91Very high2 Ų262.8 Ų62.81%0.01236%0.361CS..  trans-83.4111.4165.1-177.30000107.6L41 E50 L51 N63 C121 I122 N123L41-V65 HydrophobicContact CD1-CG1 4.1Å; L41-V65 HydrophobicContact CD2-CG1 3.74Å; E50-V65 HydrophobicContact CB-CG2 4.29Å; E50-V65 HydrophobicContact CG-CG2 3.98Å; L51-V65 HydrophobicContact CB-CG1 4.09Å; L51-V65 HydrophobicContact CB-CG2 3.96Å; L51-V65 HydrophobicContact CD1-CG1 4.44Å; L51-V65 HydrophobicContact CD1-CG2 4.32Å; N63-V65 PolarHBondContact O-N 2.79Å; V65-C121 CarbonylContact O-C 3.56Å; V65-C121 WeakPolarHBondContact O-CA 3.48Å; V65-I122 HydrophobicContact CB-CD1 3.98Å; V65-I122 HydrophobicContact CG1-CD1 3.5Å; V65-I122 VanDerWaalsContact CG1-CD1 3.5Å; V65-I122 HydrophobicContact CG1-CG1 4.18Å; V65-I122 PolarHBondContact O-N 2.91Å; V65-N123 HydrophobicContact CB-CB 4.22Å; V65-N123 HydrophobicContact CG2-CB 4.25Å
66T96.3Very high90.8Very high5 Ų568.2 Ų68.23%0.03139%0.387CS..EExtended strand (participates in β ladder)trans-111.8153-173.9680000114K44 C64 Y111 D119 V120K44-T66 PolarHBondContact NZ-OG1 2.85Å; C64-T66 HydrophobicContact CB-CG2 3.97Å; C64-T66 PolarHBondContact O-N 2.86Å; T66-Y111 HydrophobicContact CG2-CD1 4.3Å; T66-Y111 HydrophobicContact CG2-CD2 3.58Å; T66-Y111 HydrophobicContact CG2-CE2 4.26Å; T66-Y111 HydrophobicContact CG2-CG 3.61Å; T66-D119 WeakPolarHBondContact CB-OD2 3.41Å; T66-D119 HydrophobicContact CG2-CB 4.32Å; T66-D119 PolarHBondContact OG1-OD2 3.28Å; T66-V120 CarbonylContact C-O 3.59Å; T66-V120 VanDerWaalsContact CA-O 3.27Å; T66-V120 WeakPolarHBondContact CA-O 3.49Å
67I95.6Very high90.7Very high3 Ų365.3 Ų65.32%0.01537%0.366CS..EExtended strand (participates in β ladder)trans-127153.8164.168.5172000111.3L37 K40 L41 R69 L75 P84 Y88 D119 V120 I122L37-I67 HydrophobicContact CD1-CG2 3.57Å; K40-I67 HydrophobicContact CB-CG2 4.28Å; K40-I67 HydrophobicContact CD-CB 4.42Å; K40-I67 HydrophobicContact CD-CD1 4.17Å; K40-I67 HydrophobicContact CD-CG2 4.36Å; L41-I67 HydrophobicContact CD2-CG2 4.1Å; I67-R69 PolarHBondContact O-N 2.81Å; I67-L75 HydrophobicContact CD1-CD2 4.46Å; I67-P84 HydrophobicContact CD1-CB 3.9Å; I67-P84 HydrophobicContact CD1-CG 4.25Å; I67-P84 HydrophobicContact CG1-CB 4.46Å; I67-Y88 HydrophobicContact CD1-CE2 4.42Å; I67-D119 WeakPolarHBondContact O-CA 3.43Å; I67-V120 PolarHBondContact N-O 3.09Å; I67-V120 PolarHBondContact O-N 2.87Å; I67-I122 HydrophobicContact CD1-CG2 4.18Å; I67-I122 HydrophobicContact CG1-CG2 4.03Å; I67-I122 HydrophobicContact CG2-CG1 4.24Å
68P94.2Very high90.5Very high83 Ų8364.8 Ų64.854%0.53936%0.363SS..EExtended strand (participates in β ladder)trans-60.6135.7174.2-2534.8000112.5
69R93.4Very high90.4Very high86 Ų8669.2 Ų69.233%0.32538%0.376SS..PPolyproline II helixtrans-76.4136.4177.8-162.1172.6-176.5-134.9-2110.9I67 K116 Q117 K118 V120I67-R69 PolarHBondContact O-N 2.81Å; R69-K116 VanDerWaalsContact NH1-CA 3.29Å; R69-K116 PolarHBondContact NH1-O 3.38Å; R69-Q117 WeakPolarHBondContact CD-O 3.31Å; R69-K118 VanDerWaalsContact CB-O 3.27Å; R69-K118 WeakPolarHBondContact CB-O 3.28Å; R69-K118 PolarHBondContact N-O 2.86Å; R69-V120 HydrophobicContact CB-CG2 3.99Å; R69-V120 HydrophobicContact CG-CG2 3.81Å
70S91.2Very high90.8Very high48 Ų4871.7 Ų71.734%0.33636%0.364SS..PPolyproline II helixtrans-78.6164.2170.260.50000111.4D72 G73 R74S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 WeakPolarHBondContact CB-OD1 3.28Å; S70-D72 PolarHBondContact O-N 3.22Å; S70-D72 PolarHBondContact OG-OD1 3.17Å; S70-G73 PolarHBondContact O-N 2.89Å; S70-G73 WeakPolarHBondContact OG-CA 3.21Å; S70-G73 PolarHBondContact OG-N 3.43Å; S70-G73 VanDerWaalsContact OG-N 3.14Å; S70-R74 PolarHBondContact OG-N 2.88Å; S70-R74 PolarHBondContact OG-O 3.45Å
71L87Confident90.9Very high197 Ų19771.6 Ų71.6100%1.03136%0.361SS*.THydrogen-bonded Turntrans-57.1-37.7177-62.3174.1000112.9
72D87Confident91.1Very high77 Ų7767.4 Ų67.441%0.41234%0.339SS..THydrogen-bonded Turntrans-89.7-1.1176.869.1-10000113.7S70 R74 K81S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 WeakPolarHBondContact CB-OD1 3.28Å; S70-D72 PolarHBondContact O-N 3.22Å; S70-D72 PolarHBondContact OG-OD1 3.17Å; D72-R74 PolarHBondContact O-N 3.46Å; D72-R74 PolarHBondContact OD1-N 3.03Å; D72-K81 IonicContact OD2-NZ 2.7Å
73G88Confident91.1Very high3 Ų368.3 Ų68.33%0.03134%0.342CS..SBendtrans68.32.6-173.800000115.7S70 L83 P84 F113S70-G73 PolarHBondContact O-N 2.89Å; S70-G73 WeakPolarHBondContact OG-CA 3.21Å; S70-G73 PolarHBondContact OG-N 3.43Å; S70-G73 VanDerWaalsContact OG-N 3.14Å; G73-L83 WeakPolarHBondContact O-CD2 3.43Å; G73-P84 WeakPolarHBondContact O-CD 3.45Å; G73-F113 WeakPolarHBondContact O-CE2 3.23Å
74R90.3Very high91.2Very high143 Ų14363.8 Ų63.854%0.5432%0.318SS..  trans-105.1136.3-176.4-55.7174.1-164.1-159.74.2111.7S70 D72 K81 G82 L83S70-R74 PolarHBondContact OG-N 2.88Å; S70-R74 PolarHBondContact OG-O 3.45Å; D72-R74 PolarHBondContact O-N 3.46Å; D72-R74 PolarHBondContact OD1-N 3.03Å; R74-K81 HydrophobicContact CB-CB 4.44Å; R74-G82 CarbonylContact C-O 3.59Å; R74-G82 WeakPolarHBondContact CA-O 3.29Å; R74-L83 HydrophobicContact CG-CD2 4.04Å
75L92.4Very high91.2Very high17 Ų1763.2 Ų63.29%0.08931%0.313CS..EExtended strand (participates in β ladder)trans-89.7131.6167.7179.964.3000109.7I67 V77 K81 G82 P84 I87 Y88I67-L75 HydrophobicContact CD1-CD2 4.46Å; L75-V77 HydrophobicContact CD2-CG2 4.15Å; L75-V77 HydrophobicContact CG-CG2 4.15Å; L75-K81 WeakPolarHBondContact O-CA 3.34Å; L75-G82 PolarHBondContact N-O 2.9Å; L75-G82 PolarHBondContact O-N 3.33Å; L75-P84 HydrophobicContact CB-CG 4.12Å; L75-I87 HydrophobicContact CB-CD1 4.03Å; L75-I87 HydrophobicContact CD2-CD1 4.3Å; L75-I87 HydrophobicContact CG-CD1 4.43Å; L75-Y88 HydrophobicContact CD2-CE2 3.83Å; L75-Y88 VanDerWaalsContact CD2-OH 3.23Å; L75-Y88 WeakPolarHBondContact CD2-OH 3.39Å
76Q91.3Very high91.1Very high117 Ų11764 Ų6455%0.54732%0.318SS..EExtended strand (participates in β ladder)trans-90.4127.4169.4-174.5168.7-21.700110.5S78 R80 K81Q76-S78 PolarHBondContact NE2-O 2.92Å; Q76-S78 VanDerWaalsContact NE2-O 3.12Å; Q76-R80 CarbonylContact C-O 3.54Å; Q76-R80 WeakPolarHBondContact CA-O 3.43Å; Q76-K81 HydrophobicContact CB-CG 4.13Å; Q76-K81 HydrophobicContact CG-CG 4.22Å
77V90.3Very high91Very high4 Ų464.2 Ų64.22%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-125.4110173.1-179.10000108K32 A33 L75 H79 R80 I87K32-V77 HydrophobicContact CB-CG1 4.03Å; A33-V77 HydrophobicContact CB-CG1 3.92Å; A33-V77 HydrophobicContact CB-CG2 4.27Å; L75-V77 HydrophobicContact CD2-CG2 4.15Å; L75-V77 HydrophobicContact CG-CG2 4.15Å; V77-H79 PolarHBondContact O-N 2.85Å; V77-H79 VanDerWaalsContact O-N 3.17Å; V77-R80 PolarHBondContact N-O 3.05Å; V77-R80 PolarHBondContact O-N 2.86Å; V77-I87 HydrophobicContact CG2-CD1 4.32Å
78S86.6Confident91.1Very high45 Ų4564.1 Ų64.132%0.31532%0.318SS..THydrogen-bonded Turntrans53.1-116.4-171-150.60000111K32 Q76K32-S78 PolarHBondContact NZ-OG 2.96Å; Q76-S78 PolarHBondContact NE2-O 2.92Å; Q76-S78 VanDerWaalsContact NE2-O 3.12Å
79H83.1Confident91.1Very high177 Ų17760.1 Ų60.182%0.81929%0.292SS*.THydrogen-bonded Turntrans-95.25.7-178.6-51.4-75.4000113.7V77V77-H79 PolarHBondContact O-N 2.85Å; V77-H79 VanDerWaalsContact O-N 3.17Å
80R84.9Confident91.1Very high120 Ų12059.6 Ų59.645%0.45329%0.29SS..EExtended strand (participates in β ladder)trans-115.1140.9-176.9-63.4-174.4-178.8170.92.8111.3E26 Q76 V77E26-R80 IonicContact OE1-CZ 2.74Å; E26-R80 IonicContact OE1-NH1 3.33Å; E26-R80 PolarHBondContact OE1-NH1 3.49Å; E26-R80 IonicContact OE1-NH2 2.64Å; E26-R80 PolarHBondContact OE1-NH2 2.9Å; E26-R80 IonicContact OE2-CZ 3.84Å; E26-R80 IonicContact OE2-NH1 3.66Å; E26-R80 PolarHBondContact OE2-NH1 2.93Å; E26-R80 IonicContact OE2-NH2 2.87Å; Q76-R80 CarbonylContact C-O 3.54Å; Q76-R80 WeakPolarHBondContact CA-O 3.43Å; V77-R80 PolarHBondContact N-O 3.05Å; V77-R80 PolarHBondContact O-N 2.86Å
81K89.9Confident91.3Very high126 Ų12657.5 Ų57.555%0.54828%0.276SS..EExtended strand (participates in β ladder)trans-109.4131.7168.7-68.9-170.4174.1-166.70109.2D72 R74 L75 Q76D72-K81 IonicContact OD2-NZ 2.7Å; R74-K81 HydrophobicContact CB-CB 4.44Å; L75-K81 WeakPolarHBondContact O-CA 3.34Å; Q76-K81 HydrophobicContact CB-CG 4.13Å; Q76-K81 HydrophobicContact CG-CG 4.22Å
82G91Very high91.7Very high23 Ų2348.3 Ų48.324%0.23723%0.227CC..EExtended strand (participates in β ladder)trans-149.7171.5178.100000111.6R74 L75R74-G82 CarbonylContact C-O 3.59Å; R74-G82 WeakPolarHBondContact CA-O 3.29Å; L75-G82 PolarHBondContact N-O 2.9Å; L75-G82 PolarHBondContact O-N 3.33Å
83L94.8Very high92Very high38 Ų3848.3 Ų48.320%0.19922%0.221CC..  trans-80.9135.2179-62.5177.2000110G73 R74 H85 V86 I87 H100 F113G73-L83 WeakPolarHBondContact O-CD2 3.43Å; R74-L83 HydrophobicContact CG-CD2 4.04Å; L83-H85 PolarHBondContact O-N 3.13Å; L83-V86 HydrophobicContact CB-CB 4.29Å; L83-V86 HydrophobicContact CB-CG2 3.91Å; L83-V86 PolarHBondContact O-N 3.27Å; L83-V86 VanDerWaalsContact O-N 3.15Å; L83-I87 WeakPolarHBondContact O-CG1 3.49Å; L83-I87 PolarHBondContact O-N 2.8Å; L83-H100 HydrophobicContact CD1-CB 3.81Å; L83-F113 HydrophobicContact CD1-CE1 4.18Å; L83-F113 HydrophobicContact CD1-CZ 4.4Å; L83-F113 HydrophobicContact CD2-CE1 4.15Å; L83-F113 HydrophobicContact CD2-CE2 4.08Å; L83-F113 HydrophobicContact CD2-CZ 3.55Å; L83-F113 HydrophobicContact CG-CZ 4.46Å
84P95.1Very high92.3Very high6 Ų650 Ų504%0.03923%0.227CC..Hα-helixtrans-53.5-51.8-172.5-27.531.7000114.2I67 G73 L75 V86 I87 Y88 V120 I122I67-P84 HydrophobicContact CD1-CB 3.9Å; I67-P84 HydrophobicContact CD1-CG 4.25Å; I67-P84 HydrophobicContact CG1-CB 4.46Å; G73-P84 WeakPolarHBondContact O-CD 3.45Å; L75-P84 HydrophobicContact CB-CG 4.12Å; P84-V86 VanDerWaalsContact C-N 3.33Å; P84-V86 PolarHBondContact O-N 3.1Å; P84-I87 PolarHBondContact O-N 3.27Å; P84-Y88 WeakPolarHBondContact O-CD2 3.42Å; P84-Y88 PolarHBondContact O-N 2.86Å; P84-Y88 VanDerWaalsContact O-N 3.09Å; P84-V120 HydrophobicContact CB-CG1 4.23Å; P84-V120 HydrophobicContact CG-CG1 4.5Å; P84-I122 HydrophobicContact CB-CG2 3.81Å
85H95.6Very high92.2Very high7 Ų745.7 Ų45.73%0.03222%0.217CC..Hα-helixtrans-59.9-4118063-73.5000112.2L83 C89 F113 Y127L83-H85 PolarHBondContact O-N 3.13Å; H85-C89 VanDerWaalsContact O-CB 3.24Å; H85-C89 WeakPolarHBondContact O-CB 3.23Å; H85-C89 PolarHBondContact O-N 2.87Å; H85-C89 PolarHBondContact O-SG 2.92Å; H85-F113 VanDerWaalsContact CE1-CB 3.46Å; H85-F113 WeakPolarHBondContact CE1-CB 3.33Å; H85-F113 AromaticContact CE1-CD1 3.37Å; H85-F113 WeakPolarHBondContact CE1-CD1 3.49Å; H85-F113 AromaticContact CE1-CD2 3.79Å; H85-F113 AromaticContact CE1-CG 3.23Å; H85-F113 WeakPolarHBondContact CE1-CG 3.49Å; H85-F113 WeakPolarHBondContact ND1-CB 3.13Å; H85-F113 AromaticContact ND1-CD1 4Å; H85-F113 AromaticContact ND1-CD2 3.59Å; H85-F113 AromaticContact ND1-CG 3.37Å; H85-F113 WeakPolarHBondContact ND1-CG 3.2Å; H85-Y127 HydrophobicContact CB-CE1 4.09Å; H85-Y127 HydrophobicContact CB-CE2 3.83Å; H85-Y127 WeakPolarHBondContact CB-OH 3.48Å; H85-Y127 AromaticContact CD2-CE1 3.94Å
86V95Very high91.8Very high18 Ų1848.8 Ų48.811%0.10923%0.234CC..Hα-helixtrans-63.5-47.5175.1-177.40000111.2L83 P84 Y88 R90 L97 H100 L103L83-V86 HydrophobicContact CB-CB 4.29Å; L83-V86 HydrophobicContact CB-CG2 3.91Å; L83-V86 PolarHBondContact O-N 3.27Å; L83-V86 VanDerWaalsContact O-N 3.15Å; P84-V86 VanDerWaalsContact C-N 3.33Å; P84-V86 PolarHBondContact O-N 3.1Å; V86-Y88 VanDerWaalsContact C-N 3.33Å; V86-Y88 PolarHBondContact O-N 3.27Å; V86-R90 WeakPolarHBondContact O-CB 3.2Å; V86-R90 PolarHBondContact O-N 2.86Å; V86-L97 HydrophobicContact CG1-CD2 3.82Å; V86-L97 HydrophobicContact CG1-CG 4.31Å; V86-H100 HydrophobicContact CG2-CB 3.58Å; V86-L103 HydrophobicContact CG2-CD1 4.19Å
87I94.9Very high91.6Very high11 Ų1143.2 Ų43.26%0.05621%0.208CC..Hα-helixtrans-54.5-50179.2-73.1165.4000110.5W29 A33 L75 V77 L83 P84 R90 V91W29-I87 HydrophobicContact CH2-CG2 3.9Å; W29-I87 HydrophobicContact CZ2-CG1 4.37Å; W29-I87 HydrophobicContact CZ2-CG2 4.13Å; A33-I87 HydrophobicContact CB-CG2 4.22Å; L75-I87 HydrophobicContact CB-CD1 4.03Å; L75-I87 HydrophobicContact CD2-CD1 4.3Å; L75-I87 HydrophobicContact CG-CD1 4.43Å; V77-I87 HydrophobicContact CG2-CD1 4.32Å; L83-I87 WeakPolarHBondContact O-CG1 3.49Å; L83-I87 PolarHBondContact O-N 2.8Å; P84-I87 PolarHBondContact O-N 3.27Å; I87-R90 PolarHBondContact O-N 3.46Å; I87-V91 WeakPolarHBondContact O-CG2 3.32Å; I87-V91 PolarHBondContact O-N 2.93Å; I87-V91 VanDerWaalsContact O-N 3.08Å
88Y96.2Very high91.3Very high0 Ų047.5 Ų47.50%023%0.228CC..Hα-helixtrans-81.3-32.3-173.5-65.4-59000113.5A33 L37 I67 L75 P84 V86 R90 V91 W92 I122A33-Y88 HydrophobicContact CB-CE1 4.46Å; A33-Y88 PolarHBondContact O-OH 2.73Å; A33-Y88 VanDerWaalsContact O-OH 3.05Å; L37-Y88 HydrophobicContact CB-CE1 3.79Å; L37-Y88 WeakPolarHBondContact CB-OH 3.47Å; L37-Y88 HydrophobicContact CD1-CE1 4.42Å; L37-Y88 HydrophobicContact CD1-CE2 4Å; L37-Y88 HydrophobicContact CD2-CD1 4Å; L37-Y88 HydrophobicContact CD2-CE1 3.8Å; L37-Y88 HydrophobicContact CG-CE1 4.21Å; I67-Y88 HydrophobicContact CD1-CE2 4.42Å; L75-Y88 HydrophobicContact CD2-CE2 3.83Å; L75-Y88 VanDerWaalsContact CD2-OH 3.23Å; L75-Y88 WeakPolarHBondContact CD2-OH 3.39Å; P84-Y88 WeakPolarHBondContact O-CD2 3.42Å; P84-Y88 PolarHBondContact O-N 2.86Å; P84-Y88 VanDerWaalsContact O-N 3.09Å; V86-Y88 VanDerWaalsContact C-N 3.33Å; V86-Y88 PolarHBondContact O-N 3.27Å; Y88-R90 VanDerWaalsContact C-N 3.27Å; Y88-R90 PolarHBondContact O-N 2.9Å; Y88-V91 PolarHBondContact O-N 3.49Å; Y88-W92 AromaticContact CD1-CH2 3.88Å; Y88-W92 HydrophobicContact CD1-CH2 3.88Å; Y88-W92 AromaticContact CD1-CZ3 3.74Å; Y88-W92 HydrophobicContact CD1-CZ3 3.74Å; Y88-W92 AromaticContact CG-CZ3 3.98Å; Y88-W92 HydrophobicContact CG-CZ3 3.98Å; Y88-W92 VanDerWaalsContact O-CE3 3.29Å; Y88-W92 PolarHBondContact O-N 3.21Å; Y88-I122 HydrophobicContact CD2-CB 3.63Å; Y88-I122 HydrophobicContact CD2-CG1 4.21Å; Y88-I122 HydrophobicContact CD2-CG2 3.64Å; Y88-I122 HydrophobicContact CE2-CB 4.44Å; Y88-I122 HydrophobicContact CE2-CG2 4.17Å; Y88-I122 HydrophobicContact CG-CB 4.21Å
89C95.5Very high91.2Very high0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-62.1-36.9167-67.80000111.8H85 R93 W94 L97 L103H85-C89 VanDerWaalsContact O-CB 3.24Å; H85-C89 WeakPolarHBondContact O-CB 3.23Å; H85-C89 PolarHBondContact O-N 2.87Å; H85-C89 PolarHBondContact O-SG 2.92Å; C89-R93 PolarHBondContact O-N 3.38Å; C89-W94 HydrophobicContact CB-CE3 4.03Å; C89-W94 HydrophobicContact CB-CZ3 4.15Å; C89-W94 PolarHBondContact O-N 3.41Å; C89-L97 HydrophobicContact CB-CD2 3.99Å; C89-L103 HydrophobicContact CB-CD1 3.92Å; C89-L103 HydrophobicContact CB-CD2 4.39Å
90R93.6Very high91.4Very high74 Ų7441.9 Ų41.928%0.27920%0.2SC..Hα-helixtrans-67.6-41.1176.6-174172.7180-167.8-16.6112.7V86 I87 Y88 W94 P95 L97V86-R90 WeakPolarHBondContact O-CB 3.2Å; V86-R90 PolarHBondContact O-N 2.86Å; I87-R90 PolarHBondContact O-N 3.46Å; Y88-R90 VanDerWaalsContact C-N 3.27Å; Y88-R90 PolarHBondContact O-N 2.9Å; R90-W94 WeakPolarHBondContact CA-O 3.44Å; R90-W94 WeakPolarHBondContact CG-O 3.36Å; R90-W94 CarbonylContact O-C 3.51Å; R90-P95 PolarHBondContact NE-O 3.33Å; R90-P95 WeakPolarHBondContact O-CA 3.47Å; R90-L97 HydrophobicContact CB-CB 4.26Å; R90-L97 HydrophobicContact CB-CD2 4.32Å; R90-L97 WeakPolarHBondContact CD-O 3.41Å; R90-L97 HydrophobicContact CG-CB 4.35Å
91V94.6Very high91.5Very high5 Ų542 Ų423%0.0321%0.206CC..Hα-helixtrans-64.2-39.9178.1170.70000112.3K21 Q22 W29 A30 V34 I87 Y88K21-V91 CarbonylContact C-O 3.6Å; K21-V91 VanDerWaalsContact CA-O 3.32Å; K21-V91 WeakPolarHBondContact CA-O 3.37Å; K21-V91 HydrophobicContact CG-CG1 4.4Å; Q22-V91 PolarHBondContact N-O 2.98Å; W29-V91 HydrophobicContact CH2-CG2 4.26Å; W29-V91 HydrophobicContact CZ3-CG2 3.79Å; A30-V91 HydrophobicContact CB-CG2 4.42Å; V34-V91 HydrophobicContact CG2-CG1 4.17Å; I87-V91 WeakPolarHBondContact O-CG2 3.32Å; I87-V91 PolarHBondContact O-N 2.93Å; I87-V91 VanDerWaalsContact O-N 3.08Å; Y88-V91 PolarHBondContact O-N 3.49Å
92W95.5Very high91.6Very high3 Ų337.5 Ų37.51%0.01119%0.187CC..Hα-helixtrans-113.4-7.3-168.6-66.6-56000117.1L17 Q22 V34 L37 L51 L55 Y88 P124L17-W92 HydrophobicContact CB-CZ2 4.29Å; L17-W92 HydrophobicContact CD2-CZ2 4.32Å; L17-W92 PolarHBondContact O-NE1 2.91Å; Q22-W92 VanDerWaalsContact CG-C 3.41Å; Q22-W92 VanDerWaalsContact CG-O 3.26Å; Q22-W92 WeakPolarHBondContact CG-O 3.3Å; V34-W92 HydrophobicContact CG2-CZ2 4.06Å; L37-W92 HydrophobicContact CD2-CH2 3.5Å; L37-W92 HydrophobicContact CD2-CZ3 4.16Å; L51-W92 HydrophobicContact CD1-CH2 4.29Å; L51-W92 HydrophobicContact CD1-CZ3 4.08Å; L51-W92 HydrophobicContact CD2-CH2 3.8Å; L51-W92 HydrophobicContact CD2-CZ2 4.45Å; L51-W92 HydrophobicContact CD2-CZ3 4.36Å; L55-W92 HydrophobicContact CD1-CD2 4.02Å; L55-W92 HydrophobicContact CD1-CG 4.33Å; L55-W92 HydrophobicContact CD1-CZ2 4.05Å; L55-W92 HydrophobicContact CD2-CB 3.8Å; L55-W92 HydrophobicContact CD2-CD2 3.84Å; L55-W92 HydrophobicContact CD2-CE3 4.22Å; L55-W92 HydrophobicContact CD2-CG 3.64Å; Y88-W92 AromaticContact CD1-CH2 3.88Å; Y88-W92 HydrophobicContact CD1-CH2 3.88Å; Y88-W92 AromaticContact CD1-CZ3 3.74Å; Y88-W92 HydrophobicContact CD1-CZ3 3.74Å; Y88-W92 AromaticContact CG-CZ3 3.98Å; Y88-W92 HydrophobicContact CG-CZ3 3.98Å; Y88-W92 VanDerWaalsContact O-CE3 3.29Å; Y88-W92 PolarHBondContact O-N 3.21Å; W92-P124 HydrophobicContact CB-CG 4.15Å; W92-P124 HydrophobicContact CE3-CG 4.13Å
93R93.7Very high91.7Very high77 Ų7737.2 Ų37.229%0.29118%0.18SC..THydrogen-bonded Turntrans-137-47.6-179.3-66-173.372.6-169.41.6114.4C89 P124 Y125 Y127C89-R93 PolarHBondContact O-N 3.38Å; R93-P124 WeakPolarHBondContact CD-O 3.44Å; R93-P124 HydrophobicContact CG-CB 3.99Å; R93-P124 HydrophobicContact CG-CG 4.46Å; R93-P124 PolarHBondContact NH1-O 2.73Å; R93-Y125 HydrophobicContact CG-CE1 4.42Å; R93-Y127 PolarHBondContact NH1-O 3.01Å
94W93.6Very high91.7Very high38 Ų3841.5 Ų41.514%0.14420%0.197CC..  trans-131.482.1-169.9-58.5-59.4000110.7C89 R90 D96 L97 L103 R129C89-W94 HydrophobicContact CB-CE3 4.03Å; C89-W94 HydrophobicContact CB-CZ3 4.15Å; C89-W94 PolarHBondContact O-N 3.41Å; R90-W94 WeakPolarHBondContact CA-O 3.44Å; R90-W94 WeakPolarHBondContact CG-O 3.36Å; R90-W94 CarbonylContact O-C 3.51Å; W94-D96 PolarHBondContact O-N 2.73Å; W94-D96 VanDerWaalsContact O-N 3.13Å; W94-L97 HydrophobicContact CB-CB 3.92Å; W94-L97 WeakPolarHBondContact O-CB 3.48Å; W94-L97 PolarHBondContact O-N 3.03Å; W94-L103 HydrophobicContact CE3-CD2 3.73Å; W94-L103 HydrophobicContact CH2-CD2 4.35Å; W94-L103 HydrophobicContact CZ3-CD2 3.41Å; W94-L103 VanDerWaalsContact CZ3-CD2 3.41Å; W94-R129 HydrophobicContact CD2-CB 4.19Å; W94-R129 HydrophobicContact CE3-CB 4.49Å; W94-R129 HydrophobicContact CH2-CB 4.02Å; W94-R129 VanDerWaalsContact CH2-N 3.32Å; W94-R129 HydrophobicContact CZ2-CB 3.66Å; W94-R129 HydrophobicContact CZ3-CB 4.43Å
95P87.8Confident91.7Very high53 Ų5342.8 Ų42.834%0.34421%0.208SC..THydrogen-bonded Turntrans-62.6-22.9-175.225.4-33.2000113.2Q22 R90Q22-P95 HydrophobicContact CB-CG 4.11Å; Q22-P95 WeakPolarHBondContact O-CB 3Å; R90-P95 PolarHBondContact NE-O 3.33Å; R90-P95 WeakPolarHBondContact O-CA 3.47Å
96D84.6Confident91.7Very high82 Ų8245.3 Ų45.344%0.43922%0.221SC..THydrogen-bonded Turntrans-83.2-6.717669.5-51.8000114.2W94 Q98 R129W94-D96 PolarHBondContact O-N 2.73Å; W94-D96 VanDerWaalsContact O-N 3.13Å; D96-Q98 WeakPolarHBondContact O-CG 3.26Å; D96-Q98 PolarHBondContact O-N 3.33Å; D96-Q98 PolarHBondContact O-NE2 2.76Å; D96-R129 VanDerWaalsContact CG-NH1 3.29Å; D96-R129 IonicContact OD1-CZ 2.72Å; D96-R129 IonicContact OD1-NH1 3.5Å; D96-R129 PolarHBondContact OD1-NH1 3.15Å; D96-R129 IonicContact OD1-NH2 3.87Å; D96-R129 IonicContact OD2-CZ 3.15Å; D96-R129 VanDerWaalsContact OD2-CZ 3.22Å; D96-R129 IonicContact OD2-NH1 2.66Å; D96-R129 PolarHBondContact OD2-NH1 3.24Å; D96-R129 IonicContact OD2-NH2 2.81Å; D96-R129 PolarHBondContact OD2-NH2 3.03Å
97L88.3Confident91.5Very high0 Ų054.2 Ų54.20%026%0.262CS..  trans-57.1120.5179.6-172.274.4000111.3V86 C89 R90 W94 E102 L103V86-L97 HydrophobicContact CG1-CD2 3.82Å; V86-L97 HydrophobicContact CG1-CG 4.31Å; C89-L97 HydrophobicContact CB-CD2 3.99Å; R90-L97 HydrophobicContact CB-CB 4.26Å; R90-L97 HydrophobicContact CB-CD2 4.32Å; R90-L97 WeakPolarHBondContact CD-O 3.41Å; R90-L97 HydrophobicContact CG-CB 4.35Å; W94-L97 HydrophobicContact CB-CB 3.92Å; W94-L97 WeakPolarHBondContact O-CB 3.48Å; W94-L97 PolarHBondContact O-N 3.03Å; L97-E102 HydrophobicContact CD1-CB 3.6Å; L97-E102 HydrophobicContact CD1-CG 4.36Å; L97-L103 HydrophobicContact CD1-CD2 4.03Å; L97-L103 HydrophobicContact CD1-CG 4.17Å; L97-L103 HydrophobicContact CD2-CD1 3.89Å; L97-L103 HydrophobicContact CD2-CD2 4.13Å; L97-L103 HydrophobicContact CD2-CG 4.07Å
98Q83.3Confident91.4Very high94 Ų9457.6 Ų57.644%0.43929%0.285SS..  trans-101.1-37.2-177.9-59.2-55.8-54.900112.2D96 E102D96-Q98 WeakPolarHBondContact O-CG 3.26Å; D96-Q98 PolarHBondContact O-N 3.33Å; D96-Q98 PolarHBondContact O-NE2 2.76Å; Q98-E102 WeakPolarHBondContact CA-OE1 3.3Å; Q98-E102 PolarHBondContact N-OE1 2.68Å
99S84.3Confident91.4Very high30 Ų3058.1 Ų58.121%0.2129%0.289CS..  trans-132.3160.3-168.4-169.30000113.5H101 E102S99-H101 VanDerWaalsContact C-N 3.32Å; S99-H101 PolarHBondContact OG-CD2 3.12Å; S99-H101 PolarHBondContact OG-N 3Å; S99-E102 PolarHBondContact N-OE1 2.82Å
100H87.1Confident91.4Very high74 Ų7464.5 Ų64.534%0.34332%0.319SS..SBendtrans-75.8-20.1170.677.3-62.6000113.5L83 V86 E102 L103L83-H100 HydrophobicContact CD1-CB 3.81Å; V86-H100 HydrophobicContact CG2-CB 3.58Å; H100-E102 PolarHBondContact O-N 2.79Å; H100-L103 PolarHBondContact O-N 2.89Å
101H87Confident91.6Very high124 Ų12464.4 Ų64.457%0.57432%0.319SS*.THydrogen-bonded Turntrans-65.3-25.6175.5-64.5-56.9000112.1S99 L103 V130S99-H101 VanDerWaalsContact C-N 3.32Å; S99-H101 PolarHBondContact OG-CD2 3.12Å; S99-H101 PolarHBondContact OG-N 3Å; H101-L103 PolarHBondContact O-N 2.92Å; H101-V130 WeakPolarHBondContact O-CG2 3.22Å
102E91.2Very high91.6Very high30 Ų3065.5 Ų65.514%0.1433%0.326CS..THydrogen-bonded Turntrans-74-2.5172.9-59175.2-10000113.3L97 Q98 S99 H100 R129 V130L97-E102 HydrophobicContact CD1-CB 3.6Å; L97-E102 HydrophobicContact CD1-CG 4.36Å; Q98-E102 WeakPolarHBondContact CA-OE1 3.3Å; Q98-E102 PolarHBondContact N-OE1 2.68Å; S99-E102 PolarHBondContact N-OE1 2.82Å; H100-E102 PolarHBondContact O-N 2.79Å; E102-R129 HydrophobicContact CB-CG 4.46Å; E102-R129 CarbonylContact O-C 3.57Å; E102-R129 WeakPolarHBondContact O-CA 3.25Å; E102-R129 WeakPolarHBondContact O-CG 3.4Å; E102-R129 IonicContact OE2-CZ 3.68Å; E102-R129 IonicContact OE2-NE 3.96Å; E102-R129 PolarHBondContact OE2-NE 3.26Å; E102-R129 IonicContact OE2-NH2 2.97Å; E102-R129 PolarHBondContact OE2-NH2 3.33Å; E102-V130 VanDerWaalsContact CA-O 3.31Å; E102-V130 WeakPolarHBondContact CA-O 3.44Å; E102-V130 PolarHBondContact O-N 2.88Å
103L94.5Very high91.5Very high18 Ų1867 Ų679%0.09433%0.333CS..EExtended strand (participates in β ladder)trans-118.7122.2-179.1-66.2-174.1000112.1V86 C89 W94 L97 H100 H101 Y127V86-L103 HydrophobicContact CG2-CD1 4.19Å; C89-L103 HydrophobicContact CB-CD1 3.92Å; C89-L103 HydrophobicContact CB-CD2 4.39Å; W94-L103 HydrophobicContact CE3-CD2 3.73Å; W94-L103 HydrophobicContact CH2-CD2 4.35Å; W94-L103 HydrophobicContact CZ3-CD2 3.41Å; W94-L103 VanDerWaalsContact CZ3-CD2 3.41Å; L97-L103 HydrophobicContact CD1-CD2 4.03Å; L97-L103 HydrophobicContact CD1-CG 4.17Å; L97-L103 HydrophobicContact CD2-CD1 3.89Å; L97-L103 HydrophobicContact CD2-CD2 4.13Å; L97-L103 HydrophobicContact CD2-CG 4.07Å; H100-L103 PolarHBondContact O-N 2.89Å; H101-L103 PolarHBondContact O-N 2.92Å; L103-Y127 HydrophobicContact CB-CD1 4.33Å
104K94.3Very high91.2Very high128 Ų12866.5 Ų66.556%0.55735%0.351SS*.EExtended strand (participates in β ladder)trans-110.4128.6166.9-172.4166.3-180173.20109.6Y127 K128 V130K104-Y127 CarbonylContact O-C 3.55Å; K104-Y127 WeakPolarHBondContact O-CA 3.24Å; K104-K128 HydrophobicContact CB-CG 4.19Å; K104-K128 PolarHBondContact N-O 3.47Å; K104-K128 PolarHBondContact O-N 2.92Å; K104-V130 HydrophobicContact CB-CG1 3.66Å; K104-V130 HydrophobicContact CB-CG2 4.23Å; K104-V130 HydrophobicContact CD-CG1 4.39Å
105A95.3Very high91.1Very high33 Ų3367 Ų6727%0.27336%0.36SS..EExtended strand (participates in β ladder)trans-64.6146.3172.700000110.8C109 P112 H126 Y127A105-C109 HydrophobicContact CB-CB 4.4Å; A105-P112 HydrophobicContact CB-CB 3.49Å; A105-P112 VanDerWaalsContact CB-CB 3.49Å; A105-H126 WeakPolarHBondContact CA-O 3.22Å; A105-Y127 HydrophobicContact CB-CD1 4.14Å; A105-Y127 HydrophobicContact CB-CE1 4.02Å
106L94.6Very high91.1Very high59 Ų5972 Ų7231%0.30938%0.377SS..  trans-80.2157.4170.2-61.2-177000110.7C108 C109 Y125 H126 K128L106-C108 PolarHBondContact O-N 2.89Å; L106-C109 WeakPolarHBondContact O-CB 3.47Å; L106-C109 PolarHBondContact O-N 3.28Å; L106-Y125 VanDerWaalsContact CD1-O 3.24Å; L106-Y125 WeakPolarHBondContact CD1-O 3.4Å; L106-H126 PolarHBondContact N-O 3.24Å; L106-K128 HydrophobicContact CD2-CB 3.99Å; L106-K128 HydrophobicContact CD2-CD 3.93Å; L106-K128 HydrophobicContact CD2-CG 3.85Å
107E92.3Very high91.5Very high206 Ų20671.8 Ų71.896%0.96337%0.373SS*.THydrogen-bonded Turntrans-63.7-26.2179.8-67.6169.4-166.400112.8C109E107-C109 PolarHBondContact O-N 3.09Å
108C92.8Very high91.7Very high81 Ų8181 Ų8155%0.54741%0.413SS..THydrogen-bonded Turntrans-74.51.8173.269.80000114.4L106L106-C108 PolarHBondContact O-N 2.89Å
109C95.4Very high92.3Very high11 Ų1178.4 Ų78.47%0.07440%0.402CS..  trans-93.4107.5178.9-170.10000110A105 L106 E107 P112 H126A105-C109 HydrophobicContact CB-CB 4.4Å; L106-C109 WeakPolarHBondContact O-CB 3.47Å; L106-C109 PolarHBondContact O-N 3.28Å; E107-C109 PolarHBondContact O-N 3.09Å; C109-P112 HydrophobicContact CB-CB 4.45Å; C109-P112 WeakPolarHBondContact O-CD 3.34Å; C109-H126 HydrophobicContact CB-CB 4.01Å
110E95.9Very high92.8Very high135 Ų13577.1 Ų77.163%0.63139%0.393SS*.SBendtrans-73.5-27.1177.6-62.7176.2168.700113C64 P112 Q117C64-E110 PolarHBondContact SG-N 3.19Å; E110-P112 WeakPolarHBondContact O-CD 3.44Å; E110-Q117 PolarHBondContact O-NE2 3.26Å
111Y96.4Very high93.3Very high71 Ų7173.6 Ų73.628%0.27838%0.377SS..SBendtrans-119.649.1-175.3-58.4-87.1000113.3C64 T66 Q117 D119 C121C64-Y111 HydrophobicContact CB-CD2 3.65Å; C64-Y111 HydrophobicContact CB-CE2 4.35Å; T66-Y111 HydrophobicContact CG2-CD1 4.3Å; T66-Y111 HydrophobicContact CG2-CD2 3.58Å; T66-Y111 HydrophobicContact CG2-CE2 4.26Å; T66-Y111 HydrophobicContact CG2-CG 3.61Å; Y111-Q117 VanDerWaalsContact CE1-OE1 3.28Å; Y111-D119 HydrophobicContact CD1-CB 3.99Å; Y111-D119 HydrophobicContact CE1-CB 4.4Å; Y111-C121 VanDerWaalsContact O-CB 3.26Å; Y111-C121 WeakPolarHBondContact O-CB 3.4Å; Y111-C121 PolarHBondContact O-N 3.03Å
112P95.9Very high93.8Very high29 Ų2967.7 Ų67.719%0.18835%0.349CS..  trans-71.6144.5-176.833-33.7000109.2A105 C109 E110 G114 S115A105-P112 HydrophobicContact CB-CB 3.49Å; A105-P112 VanDerWaalsContact CB-CB 3.49Å; C109-P112 HydrophobicContact CB-CB 4.45Å; C109-P112 WeakPolarHBondContact O-CD 3.34Å; E110-P112 WeakPolarHBondContact O-CD 3.44Å; P112-G114 PolarHBondContact O-N 2.8Å; P112-S115 WeakPolarHBondContact O-CB 3.46Å; P112-S115 PolarHBondContact O-N 2.59Å; P112-S115 PolarHBondContact O-OG 3.07Å
113F92.2Very high94Very high35 Ų3566.2 Ų66.215%0.15434%0.343CS..G310 helixtrans-54-35.2-174.8-178.9-97.8000113.8G73 L83 H85 S115 K116 V120G73-F113 WeakPolarHBondContact O-CE2 3.23Å; L83-F113 HydrophobicContact CD1-CE1 4.18Å; L83-F113 HydrophobicContact CD1-CZ 4.4Å; L83-F113 HydrophobicContact CD2-CE1 4.15Å; L83-F113 HydrophobicContact CD2-CE2 4.08Å; L83-F113 HydrophobicContact CD2-CZ 3.55Å; L83-F113 HydrophobicContact CG-CZ 4.46Å; H85-F113 VanDerWaalsContact CE1-CB 3.46Å; H85-F113 WeakPolarHBondContact CE1-CB 3.33Å; H85-F113 AromaticContact CE1-CD1 3.37Å; H85-F113 WeakPolarHBondContact CE1-CD1 3.49Å; H85-F113 AromaticContact CE1-CD2 3.79Å; H85-F113 AromaticContact CE1-CG 3.23Å; H85-F113 WeakPolarHBondContact CE1-CG 3.49Å; H85-F113 WeakPolarHBondContact ND1-CB 3.13Å; H85-F113 AromaticContact ND1-CD1 4Å; H85-F113 AromaticContact ND1-CD2 3.59Å; H85-F113 AromaticContact ND1-CG 3.37Å; H85-F113 WeakPolarHBondContact ND1-CG 3.2Å; F113-S115 VanDerWaalsContact C-N 3.27Å; F113-S115 PolarHBondContact O-N 3.07Å; F113-K116 PolarHBondContact O-N 3.47Å; F113-V120 HydrophobicContact CB-CG1 4.26Å; F113-V120 HydrophobicContact CD2-CG1 3.88Å; F113-V120 HydrophobicContact CD2-CG2 3.89Å; F113-V120 HydrophobicContact CE2-CG2 4.47Å
114G88.9Confident94Very high65 Ų6565.4 Ų65.467%0.6734%0.338SS*.G310 helixtrans-64.9-22.6177.100000115.1P112 K116P112-G114 PolarHBondContact O-N 2.8Å; G114-K116 PolarHBondContact O-N 2.88Å
115S90.4Very high94.1Very high49 Ų4961.2 Ų61.234%0.34332%0.319SS..G310 helixtrans-69.4-9.9178.6680000114.2P112 F113 Q117P112-S115 WeakPolarHBondContact O-CB 3.46Å; P112-S115 PolarHBondContact O-N 2.59Å; P112-S115 PolarHBondContact O-OG 3.07Å; F113-S115 VanDerWaalsContact C-N 3.27Å; F113-S115 PolarHBondContact O-N 3.07Å; S115-Q117 PolarHBondContact O-N 3.22Å; S115-Q117 WeakPolarHBondContact OG-CG 3.42Å; S115-Q117 PolarHBondContact OG-NE2 3.25Å
116K88.3Confident94.1Very high159 Ų15959.8 Ų59.869%0.69131%0.307SS*.  trans58.215.1-179.9-60.9178.3-175.3174.30115.7R69 F113 G114R69-K116 VanDerWaalsContact NH1-CA 3.29Å; R69-K116 PolarHBondContact NH1-O 3.38Å; F113-K116 PolarHBondContact O-N 3.47Å; G114-K116 PolarHBondContact O-N 2.88Å
117Q92.4Very high94.2Very high77 Ų7757.3 Ų57.336%0.3629%0.293SS..  trans-59.8169.4178.5-69.4-177.653.500114.2R69 E110 Y111 S115 D119R69-Q117 WeakPolarHBondContact CD-O 3.31Å; E110-Q117 PolarHBondContact O-NE2 3.26Å; Y111-Q117 VanDerWaalsContact CE1-OE1 3.28Å; S115-Q117 PolarHBondContact O-N 3.22Å; S115-Q117 WeakPolarHBondContact OG-CG 3.42Å; S115-Q117 PolarHBondContact OG-NE2 3.25Å; Q117-D119 VanDerWaalsContact C-N 3.25Å; Q117-D119 PolarHBondContact O-N 2.86Å
118K93.5Very high94.3Very high194 Ų19452.3 Ų52.384%0.84327%0.269SS*.SBendtrans-63.2-30.7176.7-68.3-178.9178.7176.70113R69R69-K118 VanDerWaalsContact CB-O 3.27Å; R69-K118 WeakPolarHBondContact CB-O 3.28Å; R69-K118 PolarHBondContact N-O 2.86Å
119D94.8Very high94.3Very high39 Ų3952 Ų5221%0.20926%0.256CS..EExtended strand (participates in β ladder)trans-112.3150.6178.4-97.716.8000110.1K44 T66 I67 Y111 Q117K44-D119 IonicContact NZ-OD2 3.7Å; T66-D119 WeakPolarHBondContact CB-OD2 3.41Å; T66-D119 HydrophobicContact CG2-CB 4.32Å; T66-D119 PolarHBondContact OG1-OD2 3.28Å; I67-D119 WeakPolarHBondContact O-CA 3.43Å; Y111-D119 HydrophobicContact CD1-CB 3.99Å; Y111-D119 HydrophobicContact CE1-CB 4.4Å; Q117-D119 VanDerWaalsContact C-N 3.25Å; Q117-D119 PolarHBondContact O-N 2.86Å
120V96Very high94Very high2 Ų253.5 Ų53.51%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-125.6127.7177.81710000109.2T66 I67 R69 P84 F113T66-V120 CarbonylContact C-O 3.59Å; T66-V120 VanDerWaalsContact CA-O 3.27Å; T66-V120 WeakPolarHBondContact CA-O 3.49Å; I67-V120 PolarHBondContact N-O 3.09Å; I67-V120 PolarHBondContact O-N 2.87Å; R69-V120 HydrophobicContact CB-CG2 3.99Å; R69-V120 HydrophobicContact CG-CG2 3.81Å; P84-V120 HydrophobicContact CB-CG1 4.23Å; P84-V120 HydrophobicContact CG-CG1 4.5Å; F113-V120 HydrophobicContact CB-CG1 4.26Å; F113-V120 HydrophobicContact CD2-CG1 3.88Å; F113-V120 HydrophobicContact CD2-CG2 3.89Å; F113-V120 HydrophobicContact CE2-CG2 4.47Å
121C97.1Very high92.4Very high0 Ų052 Ų520%026%0.261CS..EExtended strand (participates in β ladder)trans-65.9134.4171.6-167.80000111.1C64 V65 Y111 H126 Y127C64-C121 HydrophobicContact CB-CB 4.43Å; V65-C121 CarbonylContact O-C 3.56Å; V65-C121 WeakPolarHBondContact O-CA 3.48Å; Y111-C121 VanDerWaalsContact O-CB 3.26Å; Y111-C121 WeakPolarHBondContact O-CB 3.4Å; Y111-C121 PolarHBondContact O-N 3.03Å; C121-H126 PolarHBondContact SG-ND1 3.34Å; C121-H126 VanDerWaalsContact SG-ND1 3.4Å; C121-Y127 PolarHBondContact O-OH 2.87Å; C121-Y127 VanDerWaalsContact O-OH 3.07Å
122I96.7Very high90.4Very high0 Ų049.8 Ų49.80%026%0.256CS..  trans-120.73.1174.763.271.5000112.8L37 L51 V65 I67 P84 Y88 P124L37-I122 HydrophobicContact CD1-CD1 4.13Å; L37-I122 HydrophobicContact CD1-CG1 4.06Å; L37-I122 HydrophobicContact CD2-CD1 3.94Å; L51-I122 HydrophobicContact CD1-CD1 4.15Å; L51-I122 HydrophobicContact CD2-CD1 4.48Å; V65-I122 HydrophobicContact CB-CD1 3.98Å; V65-I122 HydrophobicContact CG1-CD1 3.5Å; V65-I122 VanDerWaalsContact CG1-CD1 3.5Å; V65-I122 HydrophobicContact CG1-CG1 4.18Å; V65-I122 PolarHBondContact O-N 2.91Å; I67-I122 HydrophobicContact CD1-CG2 4.18Å; I67-I122 HydrophobicContact CG1-CG2 4.03Å; I67-I122 HydrophobicContact CG2-CG1 4.24Å; P84-I122 HydrophobicContact CB-CG2 3.81Å; Y88-I122 HydrophobicContact CD2-CB 3.63Å; Y88-I122 HydrophobicContact CD2-CG1 4.21Å; Y88-I122 HydrophobicContact CD2-CG2 3.64Å; Y88-I122 HydrophobicContact CE2-CB 4.44Å; Y88-I122 HydrophobicContact CE2-CG2 4.17Å; Y88-I122 HydrophobicContact CG-CB 4.21Å; I122-P124 WeakPolarHBondContact O-CD 3.47Å
123N96.1Very high88Confident0 Ų053.1 Ų53.10%028%0.277CS..  trans-62.2115.2172.9179.9-16.7000108.7S62 N63 V65 Y125 H126 Y127S62-N123 PolarHBondContact OG-ND2 2.91Å; N63-N123 PolarHBondContact O-ND2 2.78Å; N63-N123 VanDerWaalsContact O-ND2 3.1Å; V65-N123 HydrophobicContact CB-CB 4.22Å; V65-N123 HydrophobicContact CG2-CB 4.25Å; N123-Y125 PolarHBondContact O-N 3.46Å; N123-Y125 PolarHBondContact OD1-N 3.39Å; N123-H126 HydrophobicContact CB-CB 4.3Å; N123-H126 WeakPolarHBondContact O-CB 3.43Å; N123-H126 PolarHBondContact O-N 2.85Å; N123-H126 VanDerWaalsContact O-N 3.1Å; N123-Y127 WeakPolarHBondContact O-CD2 3.43Å
124P95.1Very high85.8Confident0 Ų053.9 Ų53.90%029%0.285CS..G310 helixtrans-72.2-13.2-172.333.4-38.9000112.8L55 W92 R93 I122L55-P124 HydrophobicContact CD2-CG 3.91Å; W92-P124 HydrophobicContact CB-CG 4.15Å; W92-P124 HydrophobicContact CE3-CG 4.13Å; R93-P124 WeakPolarHBondContact CD-O 3.44Å; R93-P124 HydrophobicContact CG-CB 3.99Å; R93-P124 HydrophobicContact CG-CG 4.46Å; R93-P124 PolarHBondContact NH1-O 2.73Å; I122-P124 WeakPolarHBondContact O-CD 3.47Å
125Y95.8Very high83.6Confident40 Ų4052 Ų5216%0.15726%0.262CS..G310 helixtrans-87.4-6.8173.8-60.9-72.7000113.6A54 L55 P58 R93 L106 N123 Y127A54-Y125 HydrophobicContact CB-CD2 4.44Å; A54-Y125 VanDerWaalsContact O-CD2 3.3Å; A54-Y125 WeakPolarHBondContact O-CD2 3.18Å; A54-Y125 WeakPolarHBondContact O-CE2 3.37Å; L55-Y125 HydrophobicContact CD2-CE2 4.24Å; P58-Y125 HydrophobicContact CB-CE1 3.76Å; P58-Y125 WeakPolarHBondContact CG-OH 3.39Å; R93-Y125 HydrophobicContact CG-CE1 4.42Å; L106-Y125 VanDerWaalsContact CD1-O 3.24Å; L106-Y125 WeakPolarHBondContact CD1-O 3.4Å; N123-Y125 PolarHBondContact O-N 3.46Å; N123-Y125 PolarHBondContact OD1-N 3.39Å; Y125-Y127 PolarHBondContact O-N 3.27Å
126H96.3Very high81.3Confident4 Ų453.5 Ų53.52%0.01927%0.266CS..G310 helixtrans-84.74.1170.8-75.8-161.3000113.4S62 N63 C64 A105 L106 C109 C121 N123S62-H126 PolarHBondContact O-CE1 2.84Å; S62-H126 PolarHBondContact O-NE2 2.81Å; N63-H126 PolarHBondContact O-CE1 3.04Å; C64-H126 PolarHBondContact N-CE1 3.26Å; C64-H126 PolarHBondContact SG-CE1 2.79Å; C64-H126 PolarHBondContact SG-ND1 3.25Å; A105-H126 WeakPolarHBondContact CA-O 3.22Å; L106-H126 PolarHBondContact N-O 3.24Å; C109-H126 HydrophobicContact CB-CB 4.01Å; C121-H126 PolarHBondContact SG-ND1 3.34Å; C121-H126 VanDerWaalsContact SG-ND1 3.4Å; N123-H126 HydrophobicContact CB-CB 4.3Å; N123-H126 WeakPolarHBondContact O-CB 3.43Å; N123-H126 PolarHBondContact O-N 2.85Å; N123-H126 VanDerWaalsContact O-N 3.1Å
127Y95.5Very high79.2Confident6 Ų652 Ų522%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-124.9141.9174.7-60.7-90.6000109.1H85 R93 L103 K104 A105 C121 N123 Y125H85-Y127 HydrophobicContact CB-CE1 4.09Å; H85-Y127 HydrophobicContact CB-CE2 3.83Å; H85-Y127 WeakPolarHBondContact CB-OH 3.48Å; H85-Y127 AromaticContact CD2-CE1 3.94Å; R93-Y127 PolarHBondContact NH1-O 3.01Å; L103-Y127 HydrophobicContact CB-CD1 4.33Å; K104-Y127 CarbonylContact O-C 3.55Å; K104-Y127 WeakPolarHBondContact O-CA 3.24Å; A105-Y127 HydrophobicContact CB-CD1 4.14Å; A105-Y127 HydrophobicContact CB-CE1 4.02Å; C121-Y127 PolarHBondContact O-OH 2.87Å; C121-Y127 VanDerWaalsContact O-OH 3.07Å; N123-Y127 WeakPolarHBondContact O-CD2 3.43Å; Y125-Y127 PolarHBondContact O-N 3.27Å
128K94.3Very high77.2Confident102 Ų10250 Ų5044%0.44325%0.251SS..EExtended strand (participates in β ladder)trans-102.6144.3160.259.1179178.1-179.90109K104 L106 V130K104-K128 HydrophobicContact CB-CG 4.19Å; K104-K128 PolarHBondContact N-O 3.47Å; K104-K128 PolarHBondContact O-N 2.92Å; L106-K128 HydrophobicContact CD2-CB 3.99Å; L106-K128 HydrophobicContact CD2-CD 3.93Å; L106-K128 HydrophobicContact CD2-CG 3.85Å; K128-V130 HydrophobicContact CG-CG1 4.35Å
129R92.9Very high75.1Confident74 Ų7443.4 Ų43.428%0.27923%0.229SC..EExtended strand (participates in β ladder)trans-67.6139.3163.7-160.3174.2-169.6170.6-1.2107.8W94 D96 E102W94-R129 HydrophobicContact CD2-CB 4.19Å; W94-R129 HydrophobicContact CE3-CB 4.49Å; W94-R129 HydrophobicContact CH2-CB 4.02Å; W94-R129 VanDerWaalsContact CH2-N 3.32Å; W94-R129 HydrophobicContact CZ2-CB 3.66Å; W94-R129 HydrophobicContact CZ3-CB 4.43Å; D96-R129 VanDerWaalsContact CG-NH1 3.29Å; D96-R129 IonicContact OD1-CZ 2.72Å; D96-R129 IonicContact OD1-NH1 3.5Å; D96-R129 PolarHBondContact OD1-NH1 3.15Å; D96-R129 IonicContact OD1-NH2 3.87Å; D96-R129 IonicContact OD2-CZ 3.15Å; D96-R129 VanDerWaalsContact OD2-CZ 3.22Å; D96-R129 IonicContact OD2-NH1 2.66Å; D96-R129 PolarHBondContact OD2-NH1 3.24Å; D96-R129 IonicContact OD2-NH2 2.81Å; D96-R129 PolarHBondContact OD2-NH2 3.03Å; E102-R129 HydrophobicContact CB-CG 4.46Å; E102-R129 CarbonylContact O-C 3.57Å; E102-R129 WeakPolarHBondContact O-CA 3.25Å; E102-R129 WeakPolarHBondContact O-CG 3.4Å; E102-R129 IonicContact OE2-CZ 3.68Å; E102-R129 IonicContact OE2-NE 3.96Å; E102-R129 PolarHBondContact OE2-NE 3.26Å; E102-R129 IonicContact OE2-NH2 2.97Å; E102-R129 PolarHBondContact OE2-NH2 3.33Å
130V89.3Confident73.1Confident42 Ų4247 Ų4726%0.25524%0.244SC..  trans-123.6142.3167.6-67.50000106.7H101 E102 K104 K128H101-V130 WeakPolarHBondContact O-CG2 3.22Å; E102-V130 VanDerWaalsContact CA-O 3.31Å; E102-V130 WeakPolarHBondContact CA-O 3.44Å; E102-V130 PolarHBondContact O-N 2.88Å; K104-V130 HydrophobicContact CB-CG1 3.66Å; K104-V130 HydrophobicContact CB-CG2 4.23Å; K104-V130 HydrophobicContact CD-CG1 4.39Å; K128-V130 HydrophobicContact CG-CG1 4.35Å
131D63.5Low71Confident103 Ų10348.3 Ų48.355%0.55126%0.255SS*.  trans-67.5146.8169.8-65.2-74.1000109
132S52.6Low69Low25 Ų2549.4 Ų49.418%0.17526%0.261CS..  trans-59.5136.7172.6-172.50000107.8V134 S135 E450S132-V134 CarbonylContact O-C 3.52Å; S132-V134 PolarHBondContact O-N 3.16Å; S132-S135 WeakPolarHBondContact O-CB 3.22Å; S132-S135 PolarHBondContact O-N 3.08Å; S132-E450 WeakPolarHBondContact CB-OE1 3.43Å; S132-E450 PolarHBondContact OG-OE1 3.49Å
133P45.6Very low67Low99 Ų9954.9 Ų54.964%0.64329%0.287SS*.Hα-helixtrans-60.4-14.5-178.424.4-35.4000113.5
134V45.8Very low64.9Low51 Ų5160.2 Ų60.231%0.30931%0.312SS..Hα-helixtrans-62.3-57.9165.61790000109.6S132 D136 Q137 Y138 E450S132-V134 CarbonylContact O-C 3.52Å; S132-V134 PolarHBondContact O-N 3.16Å; V134-D136 VanDerWaalsContact C-N 3.33Å; V134-D136 PolarHBondContact O-N 3.19Å; V134-Q137 PolarHBondContact O-N 3.08Å; V134-Q137 VanDerWaalsContact O-N 3.12Å; V134-Y138 HydrophobicContact CG1-CD2 4.14Å; V134-Y138 HydrophobicContact CG1-CE2 3.4Å; V134-Y138 WeakPolarHBondContact O-CD2 3.23Å; V134-Y138 WeakPolarHBondContact O-CE2 3.47Å; V134-E450 VanDerWaalsContact CB-OE1 3.27Å; V134-E450 WeakPolarHBondContact CB-OE1 3.41Å; V134-E450 WeakPolarHBondContact CG1-OE2 3.45Å; V134-E450 HydrophobicContact CG2-CG 4.44Å; V134-E450 WeakPolarHBondContact CG2-OE1 3.2Å
135S43.8Very low62.7Low27 Ų2762.9 Ų62.919%0.18932%0.322CS..Hα-helixtrans-50-43.3-178.8-73.10000114.5S132 Q137 Y138 S139S132-S135 WeakPolarHBondContact O-CB 3.22Å; S132-S135 PolarHBondContact O-N 3.08Å; S135-Q137 PolarHBondContact O-N 3.24Å; S135-Y138 CarbonylContact O-C 3.58Å; S135-Y138 PolarHBondContact O-N 2.95Å; S135-S139 PolarHBondContact O-N 3.48Å; S135-S139 PolarHBondContact O-OG 3.35Å; S135-S139 VanDerWaalsContact O-OG 3.08Å
136D41.6Very low60.7Low80 Ų8065.3 Ų65.343%0.42834%0.335SS..Hα-helixtrans-61.1-33.6-176.9-76-20.7000112.7V134 S139 H140V134-D136 VanDerWaalsContact C-N 3.33Å; V134-D136 PolarHBondContact O-N 3.19Å; D136-S139 PolarHBondContact O-N 3.27Å; D136-H140 PolarHBondContact O-CD2 3.26Å; D136-H140 PolarHBondContact O-N 3.31Å; D136-H140 VanDerWaalsContact O-N 3.1Å
137Q44.5Very low58.7Low128 Ų12871.4 Ų71.460%0.59836%0.363SS*.Hα-helixtrans-66.3-38.9173.9-65.3-175.2-16.500111.7V134 S135 A141V134-Q137 PolarHBondContact O-N 3.08Å; V134-Q137 VanDerWaalsContact O-N 3.12Å; S135-Q137 PolarHBondContact O-N 3.24Å; Q137-A141 WeakPolarHBondContact O-CB 3.49Å; Q137-A141 PolarHBondContact O-N 3.22Å
138Y50Low56.5Low33 Ų3377.1 Ų77.113%0.12939%0.39CS..Hα-helixtrans-72.4-38.6174.9-59.8-99.6000111.6V134 S135 H140 A141 L142 F393 T397 C399V134-Y138 HydrophobicContact CG1-CD2 4.14Å; V134-Y138 HydrophobicContact CG1-CE2 3.4Å; V134-Y138 WeakPolarHBondContact O-CD2 3.23Å; V134-Y138 WeakPolarHBondContact O-CE2 3.47Å; S135-Y138 CarbonylContact O-C 3.58Å; S135-Y138 PolarHBondContact O-N 2.95Å; Y138-H140 PolarHBondContact O-N 3.3Å; Y138-A141 PolarHBondContact O-N 3.44Å; Y138-L142 WeakPolarHBondContact O-CB 3.43Å; Y138-L142 WeakPolarHBondContact O-CD1 3.31Å; Y138-L142 WeakPolarHBondContact O-CG 3.48Å; Y138-L142 PolarHBondContact O-N 3.22Å; Y138-F393 HydrophobicContact CD1-CE2 4.05Å; Y138-F393 HydrophobicContact CD1-CZ 4.36Å; Y138-F393 AromaticContact CE1-CD2 3.87Å; Y138-F393 HydrophobicContact CE1-CD2 3.87Å; Y138-F393 AromaticContact CE1-CE2 3.16Å; Y138-F393 HydrophobicContact CE1-CE2 3.16Å; Y138-F393 AromaticContact CE1-CZ 3.64Å; Y138-F393 HydrophobicContact CE1-CZ 3.64Å; Y138-F393 HydrophobicContact CE2-CE2 4.38Å; Y138-F393 HydrophobicContact CE2-CZ 4.07Å; Y138-F393 AromaticContact CZ-CD2 3.93Å; Y138-F393 AromaticContact CZ-CE2 3.36Å; Y138-F393 AromaticContact CZ-CZ 3.45Å; Y138-F393 VanDerWaalsContact CZ-CZ 3.45Å; Y138-F393 WeakPolarHBondContact OH-CD2 3.5Å; Y138-F393 VanDerWaalsContact OH-CE2 3.26Å; Y138-F393 WeakPolarHBondContact OH-CE2 3.21Å; Y138-F393 WeakPolarHBondContact OH-CZ 3.21Å; Y138-T397 WeakPolarHBondContact OH-CG2 3.45Å; Y138-C399 HydrophobicContact CD1-CB 4.48Å; Y138-C399 HydrophobicContact CE1-CB 4.23Å
139S49.3Very low54.5Low56 Ų5676.1 Ų76.139%0.39239%0.387SS..Hα-helixtrans-58.2-49.4178-61.10000111.3S135 D136 Q143S135-S139 PolarHBondContact O-N 3.48Å; S135-S139 PolarHBondContact O-OG 3.35Å; S135-S139 VanDerWaalsContact O-OG 3.08Å; D136-S139 PolarHBondContact O-N 3.27Å; S139-Q143 WeakPolarHBondContact O-CG 3.44Å; S139-Q143 PolarHBondContact O-N 2.9Å; S139-Q143 VanDerWaalsContact O-N 3.12Å
140H52.9Low52.5Low114 Ų11480.4 Ų80.453%0.52841%0.41SS..Hα-helixtrans-69.9-40.8176.9-82.6-77.2000112.5D136 Y138 Q143 H144D136-H140 PolarHBondContact O-CD2 3.26Å; D136-H140 PolarHBondContact O-N 3.31Å; D136-H140 VanDerWaalsContact O-N 3.1Å; Y138-H140 PolarHBondContact O-N 3.3Å; H140-Q143 PolarHBondContact O-N 3.16Å; H140-H144 PolarHBondContact O-CD2 2.68Å; H140-H144 PolarHBondContact O-N 3.06Å
141A53.1Low50.4Low30 Ų3086.8 Ų86.825%0.24844%0.438CS..Hα-helixtrans-59.3-52.1174.800000111.3Q137 Y138 Q143 H144 Y145Q137-A141 WeakPolarHBondContact O-CB 3.49Å; Q137-A141 PolarHBondContact O-N 3.22Å; Y138-A141 PolarHBondContact O-N 3.44Å; A141-Q143 VanDerWaalsContact C-N 3.32Å; A141-Q143 PolarHBondContact O-N 3.28Å; A141-H144 CarbonylContact O-C 3.54Å; A141-H144 PolarHBondContact O-N 3.06Å; A141-Y145 WeakPolarHBondContact O-CD2 3.41Å; A141-Y145 PolarHBondContact O-N 3.14Å
142L54.1Low49.7Very low23 Ų2389.8 Ų89.812%0.1245%0.448CS..Hα-helixtrans-57.9-40.4179.4-73.2167.9000112.4Y138 Y145 Q146 L407Y138-L142 WeakPolarHBondContact O-CB 3.43Å; Y138-L142 WeakPolarHBondContact O-CD1 3.31Å; Y138-L142 WeakPolarHBondContact O-CG 3.48Å; Y138-L142 PolarHBondContact O-N 3.22Å; L142-Y145 PolarHBondContact O-N 3.13Å; L142-Q146 WeakPolarHBondContact O-CG 3.38Å; L142-Q146 PolarHBondContact O-N 2.75Å; L142-L407 HydrophobicContact CD2-CB 4.3Å; L142-L407 HydrophobicContact CD2-CD1 3.88Å
143Q54.4Low49.3Very low116 Ų11696.3 Ų96.354%0.54248%0.476SS..Hα-helixtrans-66.5-39.4174.2-78.4-176.5-2100112.7S139 H140 A141 Q147S139-Q143 WeakPolarHBondContact O-CG 3.44Å; S139-Q143 PolarHBondContact O-N 2.9Å; S139-Q143 VanDerWaalsContact O-N 3.12Å; H140-Q143 PolarHBondContact O-N 3.16Å; A141-Q143 VanDerWaalsContact C-N 3.32Å; A141-Q143 PolarHBondContact O-N 3.28Å; Q143-Q147 WeakPolarHBondContact O-CG 3.43Å; Q143-Q147 PolarHBondContact O-N 2.72Å
144H52.8Low49.2Very low112 Ų11299.5 Ų99.552%0.51949%0.487SS..Hα-helixtrans-68.8-36.5174.8-79.8-61.8000112.6H140 A141 Q147 Q148H140-H144 PolarHBondContact O-CD2 2.68Å; H140-H144 PolarHBondContact O-N 3.06Å; A141-H144 CarbonylContact O-C 3.54Å; A141-H144 PolarHBondContact O-N 3.06Å; H144-Q147 PolarHBondContact O-N 2.72Å; H144-Q148 PolarHBondContact O-N 3.02Å
145Y49.5Very low49.1Very low55 Ų55105.5 Ų105.522%0.21651%0.505CS..Hα-helixtrans-61-50172.4-87.3-73.5000112A141 L142 Q147 Q148 E149 H390 H391A141-Y145 WeakPolarHBondContact O-CD2 3.41Å; A141-Y145 PolarHBondContact O-N 3.14Å; L142-Y145 PolarHBondContact O-N 3.13Å; Y145-Q147 PolarHBondContact O-N 3.05Å; Y145-Q147 VanDerWaalsContact O-N 3.12Å; Y145-Q148 PolarHBondContact O-N 2.84Å; Y145-E149 PolarHBondContact O-N 3.31Å; Y145-H390 PolarHBondContact OH-CD2 3.29Å; Y145-H390 PolarHBondContact OH-NE2 2.86Å; Y145-H391 AromaticContact CE2-NE2 3.12Å; Y145-H391 WeakPolarHBondContact CE2-NE2 3.32Å; Y145-H391 AromaticContact CZ-NE2 3.39Å; Y145-H391 PolarHBondContact OH-NE2 2.9Å
146Q54Low48.7Very low92 Ų92109.9 Ų109.943%0.4353%0.531SS..Hα-helixtrans-59-26.3178.1-74.9-176.7-19.900113.2L142L142-Q146 WeakPolarHBondContact O-CG 3.38Å; L142-Q146 PolarHBondContact O-N 2.75Å
147Q52.7Low48.8Very low131 Ų131111.8 Ų111.861%0.61255%0.548SS*.Hα-helixtrans-81.9-36.4173.5-72.3-179.2-1.200113.2Q143 H144 Y145Q143-Q147 WeakPolarHBondContact O-CG 3.43Å; Q143-Q147 PolarHBondContact O-N 2.72Å; H144-Q147 PolarHBondContact O-N 2.72Å; Y145-Q147 PolarHBondContact O-N 3.05Å; Y145-Q147 VanDerWaalsContact O-N 3.12Å
148Q50.6Low49Very low127 Ų127108.8 Ų108.859%0.59354%0.541SS*.Hα-helixtrans-67.9-35.5176.8-76.6-177.1-1100112.6H144 Y145 Q150 Q151H144-Q148 PolarHBondContact O-N 3.02Å; Y145-Q148 PolarHBondContact O-N 2.84Å; Q148-Q150 VanDerWaalsContact C-N 3.25Å; Q148-Q150 PolarHBondContact O-N 3.43Å; Q148-Q151 PolarHBondContact O-N 3.03Å
149E50.7Low49.6Very low80 Ų80113.8 Ų113.837%0.37457%0.574SS.*G310 helixtrans-62.1-28179.9-73-177.4158.200113.8Y145 Q151 Y371Y145-E149 PolarHBondContact O-N 3.31Å; E149-Q151 VanDerWaalsContact C-N 3.27Å; E149-Q151 PolarHBondContact O-N 3.5Å; E149-Y371 VanDerWaalsContact OE1-CE1 3.23Å; E149-Y371 WeakPolarHBondContact OE1-CE1 3.23Å
150Q51Low50.8Low164 Ų164112 Ų11277%0.76656%0.56SS**G310 helixtrans-72.7-16.1176.2-71.8-175.633.500113.8Q148Q148-Q150 VanDerWaalsContact C-N 3.25Å; Q148-Q150 PolarHBondContact O-N 3.43Å
151Q46.8Very low51.9Low177 Ų177109.6 Ų109.683%0.82756%0.555SS**G310 helixtrans-100.3-6.6-177.2-71.4-173-1.500114.6Q148 E149Q148-Q151 PolarHBondContact O-N 3.03Å; E149-Q151 VanDerWaalsContact C-N 3.27Å; E149-Q151 PolarHBondContact O-N 3.5Å
152Q47.9Very low52.7Low166 Ų166111.5 Ų111.578%0.77657%0.565SS**  trans-109.223.2-169.8-131.9166.258.100115.3L154Q152-L154 VanDerWaalsContact C-N 3.28Å; Q152-L154 PolarHBondContact O-N 2.97Å
153Q44.7Very low54Low161 Ų161110.5 Ų110.575%0.75256%0.559SS**  trans-75.768.9176.1-69-168.62.900113.8
154L42.5Very low55.1Low166 Ų166109.9 Ų109.987%0.86956%0.559SS**  trans-137.386158.3-87.6172.2000109Q152 T156Q152-L154 VanDerWaalsContact C-N 3.28Å; Q152-L154 PolarHBondContact O-N 2.97Å; L154-T156 PolarHBondContact O-N 2.77Å; L154-T156 VanDerWaalsContact O-N 3.12Å
155Y44.7Very low56.2Low178 Ų178104.6 Ų104.670%0.69854%0.535SS*.  trans-69.2104.1177.7-81.7-91.5000111.3V366Y155-V366 HydrophobicContact CE1-CG1 3.92Å; Y155-V366 VanDerWaalsContact OH-CG1 3.3Å; Y155-V366 WeakPolarHBondContact OH-CG1 3.25Å
156T35.7Very low57.2Low118 Ų118104.1 Ų104.172%0.72454%0.538SS*.  trans-90.2139.1148.952.50000108.5L154 S158L154-T156 PolarHBondContact O-N 2.77Å; L154-T156 VanDerWaalsContact O-N 3.12Å; T156-S158 PolarHBondContact O-N 3.45Å; T156-S158 VanDerWaalsContact O-N 3.13Å
157P43.3Very low57.4Low121 Ų121105.6 Ų105.679%0.78654%0.54SS*.  trans-66.4113.4169.926.9-31.8000108.8V159P157-V159 PolarHBondContact O-N 2.9Å
158S48.3Very low57.3Low65 Ų65105.4 Ų105.446%0.45554%0.543SS..  trans-71.294.4177.343.90000110.2T156 L160T156-S158 PolarHBondContact O-N 3.45Å; T156-S158 VanDerWaalsContact O-N 3.13Å; S158-L160 PolarHBondContact O-N 2.97Å
159V63.5Low57.1Low137 Ų137104.3 Ų104.383%0.8355%0.55SS*.  trans-66.9104.4165.5-1780000107.4P157P157-V159 PolarHBondContact O-N 2.9Å
160L74.4Confident56.7Low20 Ų20109.2 Ų109.211%0.10557%0.573CS.*PPolyproline II helixtrans-61.4134.4179.2-65.6167.9000110S158 Y292 N412 Q413 W473S158-L160 PolarHBondContact O-N 2.97Å; L160-Y292 HydrophobicContact CD1-CD1 3.62Å; L160-Y292 HydrophobicContact CD1-CD2 4.27Å; L160-Y292 HydrophobicContact CD1-CE1 3.94Å; L160-Y292 HydrophobicContact CD1-CG 3.78Å; L160-N412 HydrophobicContact CD1-CB 3.85Å; L160-N412 HydrophobicContact CD2-CB 4.28Å; L160-Q413 HydrophobicContact CD2-CB 4.08Å; L160-W473 HydrophobicContact CB-CH2 3.93Å; L160-W473 HydrophobicContact CB-CZ3 4.35Å; L160-W473 HydrophobicContact CD1-CH2 4.45Å; L160-W473 HydrophobicContact CD1-CZ3 4.04Å
161P75.2Confident56.5Low63 Ų63108.2 Ų108.241%0.40957%0.566SS.*PPolyproline II helixtrans-67.2140.6-179.127.6-34.1000110.8W473P161-W473 WeakPolarHBondContact O-CZ2 3.4Å
162P69.8Low56.2Low70 Ų70105.6 Ų105.646%0.45556%0.558SS.*PPolyproline II helixtrans-67.2138.5177.828.2-34.4000111.2P289 V290P162-P289 HydrophobicContact CB-CB 4.17Å; P162-V290 WeakPolarHBondContact CA-O 3.24Å
163V80.5Confident56Low2 Ų2101 Ų1011%0.01255%0.548CS..EExtended strand (participates in β ladder)trans-76.6134.3175.31710000109.3V165 P289 V290 L419 A420 V423 W473 V477V163-V165 HydrophobicContact CG1-CG2 4.41Å; V163-P289 CarbonylContact O-C 3.57Å; V163-P289 WeakPolarHBondContact O-CA 3.12Å; V163-V290 PolarHBondContact N-O 3.49Å; V163-V290 PolarHBondContact O-N 2.95Å; V163-L419 HydrophobicContact CG1-CG 4.32Å; V163-L419 HydrophobicContact CG2-CB 4.34Å; V163-L419 HydrophobicContact CG2-CD2 4.04Å; V163-L419 HydrophobicContact CG2-CG 3.97Å; V163-A420 HydrophobicContact CG2-CB 4.36Å; V163-V423 HydrophobicContact CG1-CG2 3.95Å; V163-W473 HydrophobicContact CG2-CH2 4.42Å; V163-W473 HydrophobicContact CG2-CZ2 3.67Å; V163-V477 HydrophobicContact CB-CG2 4.27Å; V163-V477 HydrophobicContact CG1-CG2 3.97Å
164L78.2Confident55.6Low102 Ų102102.2 Ų102.253%0.53455%0.551SS.*EExtended strand (participates in β ladder)trans-98.6118.3-177.7-70.1-174.8000110.6V287 P289L164-V287 HydrophobicContact CB-CG1 3.55Å; L164-V287 HydrophobicContact CD1-CG1 4.33Å; L164-V287 HydrophobicContact CD2-CG1 3.93Å; L164-V287 HydrophobicContact CG-CG1 4.13Å; L164-P289 HydrophobicContact CD2-CB 4Å
165V75.9Confident55.6Low1 Ų1102.9 Ų102.91%0.00655%0.549CS..EExtended strand (participates in β ladder)trans-109.1117.9-177.9-171.50000110.9V163 V287 Q288 V290 V423 V477 Q480 M481V163-V165 HydrophobicContact CG1-CG2 4.41Å; V165-V287 CarbonylContact O-C 3.54Å; V165-V287 WeakPolarHBondContact O-CA 3.5Å; V165-Q288 PolarHBondContact N-O 2.85Å; V165-Q288 PolarHBondContact O-N 3.43Å; V165-V290 HydrophobicContact CG2-CG2 3.86Å; V165-V423 HydrophobicContact CG1-CG1 4.42Å; V165-V477 HydrophobicContact CG2-CB 4.47Å; V165-V477 HydrophobicContact CG2-CG1 3.97Å; V165-V477 HydrophobicContact CG2-CG2 4.24Å; V165-Q480 HydrophobicContact CB-CB 4.43Å; V165-Q480 HydrophobicContact CG1-CB 3.95Å; V165-M481 HydrophobicContact CG1-CG 3.77Å
166P71.4Confident55.5Low45 Ų4599.4 Ų99.429%0.29255%0.546SS..EExtended strand (participates in β ladder)trans-70.2131.1173-15.830.2000111.6V287P166-V287 HydrophobicContact CB-CG2 4.49Å
167R58.3Low55.6Low124 Ų124101.6 Ų101.647%0.46855%0.551SS.*SBendtrans-80.9-23.3179.1-73.4168.9162.1-174.7-3.4114.8D286 Q288R167-D286 HydrophobicContact CB-CB 4.38Å; R167-D286 VanDerWaalsContact CB-O 3.31Å; R167-D286 WeakPolarHBondContact CB-O 3.42Å; R167-D286 VanDerWaalsContact CD-CG 3.47Å; R167-D286 WeakPolarHBondContact CD-OD2 3.38Å; R167-D286 WeakPolarHBondContact CG-O 3.4Å; R167-D286 IonicContact CZ-OD2 2.71Å; R167-D286 PolarHBondContact N-O 3.47Å; R167-D286 IonicContact NE-OD2 2.75Å; R167-D286 IonicContact NH1-OD1 3.41Å; R167-D286 PolarHBondContact NH1-OD1 3.17Å; R167-D286 IonicContact NH1-OD2 3.86Å; R167-D286 PolarHBondContact NH1-OD2 3.1Å; R167-Q288 VanDerWaalsContact NE-OE1 3.11Å
168N50.9Low55.3Low127 Ų127102.7 Ų102.768%0.67955%0.549SS*.  trans-104.299.5-179.6-71.55000110.7E170N168-E170 PolarHBondContact O-N 3.29Å
169S46Very low54.8Low104 Ų104104.4 Ų104.473%0.72756%0.558SS**  trans-74.949.9175.3-62.30000113.4F171S169-F171 VanDerWaalsContact C-N 3.28Å; S169-F171 PolarHBondContact O-N 3.05Å
170E42.6Very low53.6Low183 Ų183109.5 Ų109.586%0.85556%0.563SS**  trans-75.886.7162.6-73.5-163.7157.700108.8N168 N172N168-E170 PolarHBondContact O-N 3.29Å; E170-N172 PolarHBondContact O-N 3.28Å; E170-N172 VanDerWaalsContact O-N 3.16Å
171F45Very low52Low142 Ų142117.1 Ų117.162%0.62360%0.595SS**  trans-61.4114.3-177.2-179.1-107.6000111.6S169 A173S169-F171 VanDerWaalsContact C-N 3.28Å; S169-F171 PolarHBondContact O-N 3.05Å; F171-A173 HydrophobicContact CD1-CB 3.9Å; F171-A173 HydrophobicContact CE1-CB 3.98Å; F171-A173 PolarHBondContact O-N 2.83Å
172N41Very low50Low123 Ų123125.4 Ų125.466%0.65862%0.619SS**  trans-74.789.6173.7-166.6-10.2000109.5E170 K174E170-N172 PolarHBondContact O-N 3.28Å; E170-N172 VanDerWaalsContact O-N 3.16Å; N172-K174 PolarHBondContact O-N 3.46Å
173A43.2Very low48.2Very low69 Ų69129.5 Ų129.557%0.5764%0.636SS**THydrogen-bonded Turntrans-64.216.9-168.700000116.9F171F171-A173 HydrophobicContact CD1-CB 3.9Å; F171-A173 HydrophobicContact CE1-CB 3.98Å; F171-A173 PolarHBondContact O-N 2.83Å
174K37.6Very low45.9Very low187 Ų187135.3 Ų135.381%0.81367%0.674SS**THydrogen-bonded Turntrans-99.2-2.5-178.6-62.2-174-179.7178.80114.2N172N172-K174 PolarHBondContact O-N 3.46Å
175H42.3Very low43.7Very low179 Ų179138 Ų13883%0.82969%0.688SS**  trans-106.523.3177.2-103.2-87.4000114.9M177H175-M177 PolarHBondContact O-N 2.97Å; H175-M177 VanDerWaalsContact O-N 3.08Å
176T41.5Very low41.4Very low105 Ų105146.4 Ų146.464%0.64473%0.727SS**  trans-76.389.9169.5-50.10000110.6
177M38.7Very low39.2Very low165 Ų165151.9 Ų151.981%0.81375%0.749SS**  trans-141.789.1168.3-82.5-58.9-151.600113H175H175-M177 PolarHBondContact O-N 2.97Å; H175-M177 VanDerWaalsContact O-N 3.08Å
178L36.4Very low37.8Very low144 Ų144153.3 Ų153.375%0.75477%0.766SS**  trans-76.7114.5136.2-76.7167.7000106F181L178-F181 HydrophobicContact CD2-CD2 4.03Å
179P38.8Very low36.6Very low100 Ų100155 Ų15565%0.64977%0.77SS**  -145.2106.994.534.4-16.9000114.3
180R38.7Very low36.1Very low244 Ų244155.8 Ų155.892%0.92177%0.773SS**SBendtrans-125.42.1149.1-103.5-176176.3161.50.6114.6R182R180-R182 PolarHBondContact O-N 3.22Å
181F40.7Very low35.3Very low181 Ų181154 Ų15479%0.79476%0.764SS**SBendtrans-96.663.6170.5-74.7-79.1000112.1L178L178-F181 HydrophobicContact CD2-CD2 4.03Å
182R32.5Very low34.3Very low237 Ų237155.3 Ų155.389%0.89477%0.774SS**SBendtrans-158.8135.7159.2-143.5170.2-176.6158.20.5111.3R180R180-R182 PolarHBondContact O-N 3.22Å
183N31.8Very low33.9Very low155 Ų155153.4 Ų153.483%0.82977%0.768SS**  trans-58143177.7-86.3-6.4000112.5L185N183-L185 PolarHBondContact O-N 3.17Å
184P32.5Very low33.1Very low124 Ų124158.3 Ų158.381%0.80578%0.78SS**  trans-91.488.517235.2-31.6000111.6
185L31.2Very low32.6Very low158 Ų158156.9 Ų156.983%0.82778%0.781SS**  trans-146.1124.8158.9-92.1177.8000109.3N183N183-L185 PolarHBondContact O-N 3.17Å
186Q27.6Very low31.9Very low178 Ų178153.5 Ų153.583%0.83278%0.784SS**  trans71.8134.9-174.6-51.3171.111.200112.3
187Q26Very low31.2Very low161 Ų161154.5 Ų154.575%0.75279%0.79SS**  cis-156148.723.8-140.5164.839.200112.6
188N28Very low30.4Very low154 Ų154155.8 Ų155.882%0.82479%0.791SS**  trans38.6128.3154.2-65.12.2000123.3
189E25.9Very low30.7Very low163 Ų163153.5 Ų153.576%0.76279%0.785SS**  trans-59.2170.3162.5-138.7-154.3129.100113.7H191E189-H191 PolarHBondContact OE1-N 2.62Å
190P36.9Very low30.2Very low120 Ų120156.9 Ų156.978%0.77979%0.792SS**  -153.7150.279.543-23.9000119.5
191H25.3Very low29.7Very low144 Ų144149.9 Ų149.967%0.66778%0.781SS**  103.5106.1128.9-146.4-73.7000121.2E189E189-H191 PolarHBondContact OE1-N 2.62Å
192M22.8Very low29.1Very low170 Ų170150 Ų15084%0.83778%0.781SS**  -171.1165.1122.8-107.8-154.4165.200113.1
193P33.9Very low28.9Very low83 Ų83143.7 Ų143.754%0.53977%0.769SS.*  -130.1175.6-119.144.1-29.1000118.6
194Q26.9Very low28.9Very low173 Ų173145.4 Ų145.481%0.80877%0.772SS**  trans82.1138.2147.9-84.1166.3-15.300123
195N26.3Very low28.7Very low157 Ų157143 Ų14384%0.8476%0.763SS**  trans73.599159.4-69.1-4.9000121.6
196A28.2Very low28.5Very low108 Ų108142.4 Ų142.489%0.89376%0.761SS**  -162151.2120.600000112.1
197T25.8Very low28.5Very low126 Ų126139 Ų13977%0.77375%0.752SS**  trans-107.4125.6-158.6-71.10000114.3
198F23.1Very low28.8Very low192 Ų192137.9 Ų137.984%0.84276%0.756SS**  trans45.7172.3141.2-77.4-90.7000122.4
199P42.1Very low29.5Very low96 Ų96135.9 Ų135.962%0.62375%0.751SS**  cis-133.4171.6-5.719.76.1000118.5
200E27Very low29.7Very low171 Ų171137.5 Ų137.580%0.79976%0.756SS**  trans66.9148.3145.7-76.3171.5129.900121.4
201S29.2Very low30.1Very low96 Ų96136.8 Ų136.867%0.67175%0.752SS**  cis-159.1150.714.114.50000115
202F28.7Very low30.3Very low185 Ų185138.7 Ų138.781%0.81176%0.76SS**  trans65.9142.4151.3-78.5-121.9000120.4
203T28.7Very low30.8Very low104 Ų104135.9 Ų135.964%0.63876%0.757SS**  cis-164.7146.3-6.58.40000113.2
204Q29.9Very low31.2Very low190 Ų190138 Ų13889%0.88877%0.772SS**  trans46.8152.1143.5-72.5-175.7-12.100123.4
205A28.7Very low31.3Very low74 Ų74133.2 Ų133.261%0.61277%0.768SS**  cis-171.5164.2-14.700000113.2
206N26.9Very low31.5Very low146 Ų146134.3 Ų134.378%0.78177%0.774SS**  trans68.7149150-74.29.1000122.2
207T27.6Very low31.4Very low107 Ų107132.8 Ų132.866%0.65677%0.769SS**  cis-175.7127.5-27.828.30000111
208V32.7Very low31.7Very low137 Ų137136.9 Ų136.983%0.8378%0.776SS**  trans26.4169.8143.3-84.70000123.9
209P42.9Very low33Very low112 Ų112133 Ų13373%0.72777%0.77SS**  -135.9-169-61.540.9-20.2000116.2
210F30.4Very low32.4Very low196 Ų196133.8 Ų133.886%0.8678%0.778SS**  trans-35.2170.3168.3-73.7-81.6000119.8
211P45.9Very low32.8Very low106 Ų106131.2 Ų131.269%0.68878%0.779SS**  cis-157177.336.643.2-19.4000122.9
212H28.6Very low33.8Very low183 Ų183133.1 Ų133.185%0.84779%0.789SS**  trans51.1151.9149.1-63.3-53.7000127.1
213S32.7Very low33.9Very low111 Ų111127.3 Ų127.378%0.77678%0.782SS**  trans-82.6-175.8-177.6-20.60000114.4
214P43Very low34.2Very low129 Ų129128.9 Ų128.984%0.83880%0.797SS**  cis-153.1-177.539.944-21.7000119.9
215G28.7Very low34.2Very low72 Ų72123.2 Ų123.274%0.74279%0.789SS**  trans108.4107.8134.500000123.9
216N30.3Very low34.5Very low179 Ų179124.7 Ų124.796%0.95780%0.795SS**  trans45139.9144.3-76.411.3000126.1
217G26.3Very low34.8Very low76 Ų76123 Ų12378%0.78479%0.794SS**  trans167.5105154.500000117.2
218F32.5Very low34.9Very low213 Ų213123.6 Ų123.693%0.93480%0.798SS**  trans-96.6-177.4165.1-85.4-74.6000110
219P51.1Low34.7Very low109 Ų109122.9 Ų122.971%0.70880%0.795SS**  cis-140.7179.19.441.1-21.5000117.5
220S29.5Very low34.3Very low113 Ų113126.8 Ų126.879%0.7980%0.801SS**  155.4136.3123.1-670000114.8
221S34.1Very low34.9Very low118 Ų118122.1 Ų122.183%0.82579%0.79SS**  trans-116.1172.5168.7-46.80000109.7
222P50.3Low34.1Very low135 Ų135125.9 Ų125.988%0.87780%0.798SS**  -145.4-177.473.233-10.8000113.4
223G31.1Very low34.4Very low64 Ų64122.7 Ų122.766%0.6680%0.796SS**  cis167.1166.1-5.800000112
224S35.2Very low34.7Very low137 Ų137123.7 Ų123.796%0.95880%0.8SS**  trans69.2134.5173.7-49.50000117
225G30.2Very low34Very low70 Ų70122.4 Ų122.472%0.72279%0.794SS**  cis163.8166.70.400000109.8
226S34.2Very low34Very low106 Ų106123.7 Ų123.774%0.74179%0.792SS**  cis-168.4143.8-7.8-73.50000111.2
227S32.9Very low34.1Very low109 Ų109121 Ų12176%0.76279%0.787SS**  trans71.2146.1141.9-57.30000121.1
228T29.9Very low34.3Very low120 Ų120124.7 Ų124.774%0.73679%0.789SS**  cis-163.8127.5-0.214.20000112.9
229T29.8Very low34.6Very low123 Ų123120.6 Ų120.676%0.75578%0.784SS**  38.7134.2129.656.90000126.5
230F33Very low33.6Very low194 Ų194119 Ų11985%0.85179%0.787SS**  trans-25.7172.1150.6-63.5-79000119.3
231P43.3Very low33.8Very low98 Ų98118.8 Ų118.864%0.63679%0.785SS**  cis-159.4-172.333.748.6-26.3000121.8
232H29.9Very low34Very low184 Ų184118 Ų11885%0.85278%0.778SS**  trans57.1145.3152.1-62.7-54.8000124.3
233S35.6Very low33.1Very low117 Ų117121 Ų12182%0.81878%0.777SS**  trans-83.7157.6169.3-39.70000113.1
234P37.9Very low33.1Very low131 Ų131126.5 Ų126.585%0.85179%0.786SS**  trans-138.4-174.2134.537.3-23000113.9
235S27.6Very low33.1Very low102 Ų102126.8 Ų126.871%0.71377%0.774SS**  trans-94.4164.6-165.254.50000116.6
236S30.3Very low33.5Very low100 Ų100129 Ų12970%0.69978%0.776SS**  trans58.2118.9144.858.90000120.9
237S31.5Very low33.3Very low122 Ų122131.6 Ų131.685%0.85378%0.776SS**  -178.8133.2118.1-74.30000112.6
238D29.8Very low33.4Very low154 Ų154133.1 Ų133.182%0.82478%0.78SS**  trans-72.2176.2162-117.5-43.4000110.3
239P40Very low33.8Very low127 Ų127133 Ų13383%0.82578%0.782SS**  cis-144.9167.13740.9-20.7000118.5
240G30.3Very low34.7Very low76 Ų76132.5 Ų132.578%0.78478%0.781SS**  trans174.181.2160.700000117.1
241S33.5Very low34.9Very low107 Ų107129.4 Ų129.475%0.74878%0.78SS**  trans-134.3141.2169.6-179.90000111.3
242P37.4Very low34.4Very low103 Ų103129.1 Ų129.167%0.66979%0.786SS**  -131.5146118.635.8-26.2000110.6
243F31Very low34.4Very low198 Ų198131.1 Ų131.187%0.86879%0.788SS**  cis-140.4166.848.1-83-94.6000114
244Q30.9Very low34.3Very low178 Ų178132.3 Ų132.383%0.83278%0.782SS**  trans-103.3140.5-165.9-75.2173.7-5200115.1
245M35.2Very low34.4Very low144 Ų144131.3 Ų131.371%0.70978%0.775SS**  64.7165.9124.4-60.5-64.1-78.500120.5
246P40Very low35Very low117 Ų117132.6 Ų132.676%0.7678%0.782SS**  cis-130.9169.94.335.4-15.9000117.9
247E29.3Very low35Very low160 Ų160137.1 Ų137.175%0.74879%0.792SS**  trans-85.8163.3166.3-59.5169.889.700113.3
248T34.1Very low34.9Very low140 Ų140140 Ų14086%0.85979%0.792SS**  178.3163.5129.425.50000111.4
249P40Very low34.7Very low119 Ų119142.4 Ų142.477%0.77380%0.798SS**  trans-117.1-138-147.732.8-11.6000116.4
250P47.7Very low34.2Very low111 Ų111144.6 Ų144.672%0.72180%0.799SS**  -99.8-170.7-116.840.8-25000114.4
251P38.5Very low34.1Very low130 Ų130147 Ų14784%0.84480%0.799SS**  -150173.4101.339.5-22.9000116.2
252A31.1Very low33.9Very low92 Ų92150.2 Ų150.276%0.7680%0.802SS**  trans-104.1149.9169.100000111.4
253Y31.4Very low33.3Very low225 Ų225152.9 Ų152.988%0.88281%0.811SS**  trans-156.8171.9154.7-146.1-107.3000114.4
254M33.7Very low33.1Very low142 Ų142147.9 Ų147.970%0.780%0.8SS**PPolyproline II helixtrans-84.9168.6-163.8-65.6-157.877.900115.2
255P38.6Very low33.4Very low110 Ų110145.5 Ų145.571%0.71480%0.8SS**PPolyproline II helixtrans-69.3163.5174.330.5-38.4000113.1
256P41.5Very low33.2Very low130 Ų130146.3 Ų146.384%0.84480%0.802SS**PPolyproline II helixtrans-84.8134.7179.41.117.8000112.5
257E28.6Very low33Very low194 Ų194146.4 Ų146.491%0.90780%0.802SS**  trans-93.5175.2161-70.9-172.9150.400111.4
258E29.9Very low33.1Very low184 Ų184146.9 Ų146.986%0.8681%0.806SS**  trans-76.9164.9-159.3-50.8174.7126.700115.9
259Q26.4Very low33Very low204 Ų204146.5 Ų146.595%0.95380%0.799SS**  trans-147.9138.1145.6-116.1171.933.500112.6
260M28.6Very low32.5Very low173 Ų173149.1 Ų149.185%0.85281%0.805SS**  trans-84.7155.4-175.7-54.7172.196.500113.1
261T28.6Very low31.9Very low127 Ų127150.4 Ų150.478%0.77981%0.806SS**  -178.811213020.40000108
262Q29Very low31.6Very low173 Ų173152.2 Ų152.281%0.80881%0.807SS**  93.995.672.4-175.8177.725.100111.7
263D25.4Very low32Very low159 Ų159156.7 Ų156.785%0.8581%0.814SS**  -164.5158.2112.3-132.8-21.6000113
264C25.6Very low32Very low94 Ų94150.5 Ų150.564%0.63581%0.81SS**  trans-143.8153.2180-163.80000109
265P37.3Very low32.4Very low128 Ų128149.3 Ų149.383%0.83181%0.813SS**  -145.5158.298.529.7-10.1000115.8
266Q32.6Very low32.4Very low161 Ų161150.2 Ų150.275%0.75282%0.819SS**  trans-79.7178.2176.4-58.8178.5-54.300113.4
267P34.6Very low31.8Very low118 Ų118151.8 Ų151.877%0.76682%0.819SS**  -125.4140.2124.734.2-26.4000115.1
268M32.1Very low32.3Very low171 Ų171147.9 Ų147.984%0.84281%0.811SS**  trans-26.3151.9178.452-99.8-154.100123.7
269D31.1Very low32.5Very low132 Ų132144.8 Ų144.871%0.70681%0.805SS**  trans-66.5160172.9-56.6-91.1000117.3
270I29.8Very low32.6Very low173 Ų173144.2 Ų144.289%0.88780%0.802SS**  trans-127129.9136.7-76.9-179.2000108.5
271N34.9Very low33Very low139 Ų139141.6 Ų141.674%0.74380%0.796SS**  trans-120.7139.5-174.7-150.9-12.4000109.3
272L33.1Very low33.2Very low167 Ų167141.6 Ų141.687%0.87479%0.791SS**  trans-155138.5169.9-107.2164000110.6
273M39.9Very low33.6Very low186 Ų186140.9 Ų140.992%0.91679%0.793SS**  trans-93.6154.8-158-62-175.9121.800116
274A31.4Very low34.4Very low95 Ų95143.4 Ų143.479%0.78579%0.79SS**  trans-146.4150.7149.700000109.9
275P40.5Very low35.6Very low118 Ų118142.3 Ų142.377%0.76679%0.788SS**PPolyproline II helixtrans-88.3157.9-161.134.4-37.1000115.2
276P38.8Very low36.8Very low128 Ų128140.2 Ų140.283%0.83177%0.77SS**PPolyproline II helixtrans-80.4132.9173.832.8-33.1000112
277L30.4Very low38.5Very low163 Ų163135.2 Ų135.285%0.85375%0.75SS**PPolyproline II helixtrans-98.8153.4167-84.1160.8000110.2
278P37.9Very low40.6Very low112 Ų112132.8 Ų132.873%0.72773%0.728SS**PPolyproline II helixtrans-78.7157.1-164.731.6-36.3000114.3
279T34.6Very low42.9Very low120 Ų120128.5 Ų128.574%0.73671%0.714SS**  trans-27.2123.6167.347.70000117.1
280E27.6Very low45.3Very low191 Ų191122.5 Ų122.589%0.89368%0.681SS**  trans-10997.2138.7-83.4-97.511500107.1N282E280-N282 VanDerWaalsContact C-N 3.26Å; E280-N282 PolarHBondContact O-N 3.29Å
281T37.3Very low47.8Very low119 Ų119116.9 Ų116.973%0.7366%0.661SS**  trans-69.684172.342.80000109.6N283T281-N283 PolarHBondContact O-N 3.45Å; T281-N283 VanDerWaalsContact O-N 3.09Å
282N32.8Very low50.1Low126 Ų126112.2 Ų112.267%0.67463%0.633SS**  trans-75.299.3172.1-162.9-9000108.8E280 R284E280-N282 VanDerWaalsContact C-N 3.26Å; E280-N282 PolarHBondContact O-N 3.29Å; N282-R284 PolarHBondContact O-N 3.2Å
283N38.9Very low52.4Low159 Ų159109.3 Ų109.385%0.8562%0.615SS**  trans-65.367.6170.3-95.1-21.8000110.5T281 A285T281-N283 PolarHBondContact O-N 3.45Å; T281-N283 VanDerWaalsContact O-N 3.09Å; N283-A285 PolarHBondContact O-N 2.8Å
284R41.7Very low54.4Low212 Ų212106.7 Ų106.780%0.860%0.601SS**  trans-70.8119.8154.8-79.2-175.4168.9169.5-2.5106.5N282 D286N282-R284 PolarHBondContact O-N 3.2Å; R284-D286 PolarHBondContact O-N 2.79Å
285A50.5Low57Low70 Ų70103.7 Ų103.758%0.57957%0.574SS**  trans-49139.3164.100000108.8N283 V287N283-A285 PolarHBondContact O-N 2.8Å; A285-V287 HydrophobicContact CB-CG2 3.89Å; A285-V287 WeakPolarHBondContact O-CG2 3.41Å; A285-V287 PolarHBondContact O-N 3.39Å
286D62.3Low59.1Low85 Ų85106.7 Ų106.746%0.45558%0.575SS.*  trans-7196.2177.7-168.522.3000108R167 R284R167-D286 HydrophobicContact CB-CB 4.38Å; R167-D286 VanDerWaalsContact CB-O 3.31Å; R167-D286 WeakPolarHBondContact CB-O 3.42Å; R167-D286 VanDerWaalsContact CD-CG 3.47Å; R167-D286 WeakPolarHBondContact CD-OD2 3.38Å; R167-D286 WeakPolarHBondContact CG-O 3.4Å; R167-D286 IonicContact CZ-OD2 2.71Å; R167-D286 PolarHBondContact N-O 3.47Å; R167-D286 IonicContact NE-OD2 2.75Å; R167-D286 IonicContact NH1-OD1 3.41Å; R167-D286 PolarHBondContact NH1-OD1 3.17Å; R167-D286 IonicContact NH1-OD2 3.86Å; R167-D286 PolarHBondContact NH1-OD2 3.1Å; R284-D286 PolarHBondContact O-N 2.79Å
287V68.9Low61.6Low56 Ų56102.8 Ų102.834%0.33955%0.545SS..EExtended strand (participates in β ladder)trans-114121.4-169.21720000109L164 V165 P166 A285L164-V287 HydrophobicContact CB-CG1 3.55Å; L164-V287 HydrophobicContact CD1-CG1 4.33Å; L164-V287 HydrophobicContact CD2-CG1 3.93Å; L164-V287 HydrophobicContact CG-CG1 4.13Å; V165-V287 CarbonylContact O-C 3.54Å; V165-V287 WeakPolarHBondContact O-CA 3.5Å; P166-V287 HydrophobicContact CB-CG2 4.49Å; A285-V287 HydrophobicContact CB-CG2 3.89Å; A285-V287 WeakPolarHBondContact O-CG2 3.41Å; A285-V287 PolarHBondContact O-N 3.39Å
288Q77.3Confident64.6Low66 Ų6696.1 Ų96.131%0.30851%0.508SS..EExtended strand (participates in β ladder)trans-98.8128.2-177.8-173.6163.9-12.500111V165 R167V165-Q288 PolarHBondContact N-O 2.85Å; V165-Q288 PolarHBondContact O-N 3.43Å; R167-Q288 VanDerWaalsContact NE-OE1 3.11Å
289P81.1Confident67.4Low82 Ų8290.8 Ų90.853%0.53247%0.474SS..EExtended strand (participates in β ladder)trans-80.6134.6175.131-33.1000111.8P162 V163 L164P162-P289 HydrophobicContact CB-CB 4.17Å; V163-P289 CarbonylContact O-C 3.57Å; V163-P289 WeakPolarHBondContact O-CA 3.12Å; L164-P289 HydrophobicContact CD2-CB 4Å
290V82.6Confident70.4Confident5 Ų585.8 Ų85.83%0.0344%0.444CS..EExtended strand (participates in β ladder)trans-117.7103.7176-172.80000109.2P162 V163 V165 W473 K476 V477P162-V290 WeakPolarHBondContact CA-O 3.24Å; V163-V290 PolarHBondContact N-O 3.49Å; V163-V290 PolarHBondContact O-N 2.95Å; V165-V290 HydrophobicContact CG2-CG2 3.86Å; V290-W473 PolarHBondContact O-NE1 2.89Å; V290-K476 HydrophobicContact CG1-CB 3.56Å; V290-K476 HydrophobicContact CG1-CD 4.2Å; V290-V477 HydrophobicContact CB-CG2 4.1Å; V290-V477 HydrophobicContact CG1-CG2 4.05Å; V290-V477 HydrophobicContact CG2-CG2 4.24Å
291A81.8Confident73.7Confident56 Ų5676.7 Ų76.746%0.46340%0.401SS..  trans-78.7149.1177.100000112.2
292Y83.8Confident76.6Confident40 Ų4071.6 Ų71.616%0.15737%0.37CS..  trans-74.3141.9169.2-177.1-103.6000110.9L160 E294 N412 W473L160-Y292 HydrophobicContact CD1-CD1 3.62Å; L160-Y292 HydrophobicContact CD1-CD2 4.27Å; L160-Y292 HydrophobicContact CD1-CE1 3.94Å; L160-Y292 HydrophobicContact CD1-CG 3.78Å; Y292-E294 HydrophobicContact CD1-CG 4.4Å; Y292-E294 HydrophobicContact CE1-CG 3.59Å; Y292-N412 PolarHBondContact OH-ND2 3.48Å; Y292-W473 HydrophobicContact CD2-CB 4.06Å; Y292-W473 AromaticContact CD2-CD2 3.75Å; Y292-W473 HydrophobicContact CD2-CD2 3.75Å; Y292-W473 AromaticContact CD2-CE3 3.35Å; Y292-W473 HydrophobicContact CD2-CE3 3.35Å; Y292-W473 HydrophobicContact CD2-CG 4.11Å; Y292-W473 AromaticContact CD2-CZ3 3.9Å; Y292-W473 HydrophobicContact CD2-CZ3 3.9Å; Y292-W473 HydrophobicContact CE2-CE3 4.16Å; Y292-W473 HydrophobicContact CG-CD2 4.35Å; Y292-W473 HydrophobicContact CG-CE3 4.04Å; Y292-W473 HydrophobicContact CG-CZ3 4.22Å
293E81.3Confident79.8Confident106 Ų10665.6 Ų65.650%0.49534%0.338SS..  trans-131.8136.1173.1-79.5161.5-143.200108.2P295 K476E293-P295 WeakPolarHBondContact O-CD 3.17Å; E293-K476 IonicContact OE1-NZ 3.22Å; E293-K476 PolarHBondContact OE1-NZ 3.45Å; E293-K476 IonicContact OE2-NZ 3.73Å; E293-K476 PolarHBondContact OE2-NZ 3.27Å
294E81.4Confident82.6Confident131 Ų13160.1 Ų60.161%0.61231%0.306SS*.  trans-80.3123.2177.4-74-164.6145.800111.5Y292 Y365Y292-E294 HydrophobicContact CD1-CG 4.4Å; Y292-E294 HydrophobicContact CE1-CG 3.59Å; E294-Y365 VanDerWaalsContact OE1-CE1 3.3Å; E294-Y365 WeakPolarHBondContact OE1-CE1 3.2Å; E294-Y365 PolarHBondContact OE1-OH 3.32Å
295P86.9Confident85.3Confident33 Ų3350 Ų5021%0.21427%0.268CS..  trans-76155.6177.529.2-34.5000112.5E293 H297 H468E293-P295 WeakPolarHBondContact O-CD 3.17Å; P295-H297 WeakPolarHBondContact CB-O 3.45Å; P295-H297 VanDerWaalsContact CG-O 3.27Å; P295-H297 WeakPolarHBondContact CG-O 3.2Å; P295-H297 PolarHBondContact O-N 2.98Å; P295-H297 VanDerWaalsContact O-N 3.15Å; P295-H468 HydrophobicContact CB-CB 4.19Å; P295-H468 HydrophobicContact CG-CB 3.65Å
296K84.3Confident87.5Confident181 Ų18149 Ų4979%0.78725%0.253SS*.SBendtrans-56.1-29.8176.9-178.4-179.8179.5-179.60114.2
297H90.9Very high89.2Confident45 Ų4550.4 Ų50.421%0.20826%0.26CS..SBendtrans-120.1124.5170.7-59.7-52.7000106.7P295 A316 S317 H468P295-H297 WeakPolarHBondContact CB-O 3.45Å; P295-H297 VanDerWaalsContact CG-O 3.27Å; P295-H297 WeakPolarHBondContact CG-O 3.2Å; P295-H297 PolarHBondContact O-N 2.98Å; P295-H297 VanDerWaalsContact O-N 3.15Å; H297-A316 WeakPolarHBondContact CA-O 3.45Å; H297-S317 PolarHBondContact CE1-OG 2.87Å; H297-S317 PolarHBondContact ND1-OG 3.47Å; H297-S317 VanDerWaalsContact ND1-OG 3.08Å; H297-H468 VanDerWaalsContact O-CB 3.29Å; H297-H468 WeakPolarHBondContact O-CB 3.31Å; H297-H468 PolarHBondContact O-ND1 3.1Å; H297-H468 VanDerWaalsContact O-ND1 3.17Å
298W93.5Very high90.5Very high23 Ų2350.3 Ų50.39%0.08726%0.258CS..SBendtrans-81.6-26.5-175.568-91.4000112A316 S318 L363 Y365 V370 L467 H468W298-A316 HydrophobicContact CD2-CB 4.47Å; W298-A316 HydrophobicContact CZ2-CB 4.26Å; W298-A316 PolarHBondContact N-O 3.01Å; W298-S318 PolarHBondContact NE1-O 2.99Å; W298-L363 HydrophobicContact CH2-CB 4.24Å; W298-Y365 HydrophobicContact CD2-CG 4.49Å; W298-V370 HydrophobicContact CE3-CG2 4.35Å; W298-V370 HydrophobicContact CH2-CG1 3.95Å; W298-V370 HydrophobicContact CZ3-CG1 3.71Å; W298-V370 HydrophobicContact CZ3-CG2 3.89Å; W298-L467 HydrophobicContact CE3-CD2 4.11Å; W298-L467 HydrophobicContact CZ3-CD2 3.85Å; W298-H468 PolarHBondContact O-N 3.1Å
299C96.3Very high91.5Very high0 Ų053.3 Ų53.30%027%0.266CS..EExtended strand (participates in β ladder)trans-149.3164.1169.173.50000113.9A316 I465 H466 L467C299-A316 WeakPolarHBondContact O-CB 3.2Å; C299-A316 PolarHBondContact O-N 3.4Å; C299-A316 WeakPolarHBondContact SG-CB 3.47Å; C299-I465 HydrophobicContact CB-CG2 4Å; C299-H466 CarbonylContact C-O 3.6Å; C299-H466 WeakPolarHBondContact CA-O 3.26Å; C299-H466 WeakPolarHBondContact CB-O 3.43Å; C299-L467 HydrophobicContact CB-CD2 3.95Å
300S97.2Very high92.3Very high15 Ų1549.7 Ų49.711%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-119.6141.2162.759.30000111.2F314 I465 H466 H468S300-F314 CarbonylContact C-O 3.57Å; S300-F314 VanDerWaalsContact CA-O 3.24Å; S300-F314 WeakPolarHBondContact CA-O 3.25Å; S300-I465 WeakPolarHBondContact O-CA 3.24Å; S300-H466 PolarHBondContact N-O 3.29Å; S300-H466 PolarHBondContact O-N 2.98Å; S300-H468 VanDerWaalsContact CB-NE2 3.34Å; S300-H468 WeakPolarHBondContact CB-NE2 3.46Å; S300-H468 PolarHBondContact N-NE2 3.15Å; S300-H468 PolarHBondContact OG-NE2 2.82Å
301I98.1Very high92.9Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-119.1126.2-175.9-47.9177.5000109F314 V321 V323 F336 L363 I463 E464 I465I301-F314 HydrophobicContact CB-CB 4.38Å; I301-F314 HydrophobicContact CD1-CD1 4.26Å; I301-F314 PolarHBondContact N-O 2.85Å; I301-F314 PolarHBondContact O-N 3.35Å; I301-V321 HydrophobicContact CD1-CG1 4.18Å; I301-V323 HydrophobicContact CD1-CG2 3.73Å; I301-F336 HydrophobicContact CB-CD1 4.19Å; I301-F336 HydrophobicContact CB-CE1 4.24Å; I301-F336 HydrophobicContact CG2-CD1 4.01Å; I301-F336 HydrophobicContact CG2-CE1 3.98Å; I301-L363 HydrophobicContact CD1-CD1 3.67Å; I301-I463 HydrophobicContact CG2-CB 3.83Å; I301-I463 HydrophobicContact CG2-CD1 3.93Å; I301-I463 HydrophobicContact CG2-CG1 4.4Å; I301-I463 HydrophobicContact CG2-CG2 3.95Å; I301-E464 WeakPolarHBondContact CA-O 3.29Å; I301-I465 HydrophobicContact CG1-CG1 4.38Å; I301-I465 HydrophobicContact CG2-CG1 4.26Å
302V98.4Very high93.4Very high13 Ų1356.2 Ų56.28%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-117.1129.7179.3-173.10000109.2Y304 R309 A313 I463 E464V302-Y304 HydrophobicContact CB-CE2 3.8Å; V302-Y304 HydrophobicContact CG1-CD2 4.19Å; V302-Y304 HydrophobicContact CG1-CE2 3.42Å; V302-Y304 VanDerWaalsContact CG1-CE2 3.42Å; V302-R309 HydrophobicContact CG1-CG 3.69Å; V302-A313 HydrophobicContact CG2-CB 3.96Å; V302-I463 CarbonylContact O-C 3.18Å; V302-I463 VanDerWaalsContact O-CA 3.22Å; V302-I463 WeakPolarHBondContact O-CA 3.37Å; V302-E464 PolarHBondContact N-O 3.36Å; V302-E464 PolarHBondContact O-N 3.39Å
303Y98.6Very high93.9Very high0 Ų056 Ų560%028%0.278CS..EExtended strand (participates in β ladder)trans-95.3143179.3177.5-118000112.6E305 V310 L338 L341 R354 C461 W462 I463Y303-E305 HydrophobicContact CE1-CG 3.68Å; Y303-E305 WeakPolarHBondContact CE1-OE1 3.4Å; Y303-E305 WeakPolarHBondContact OH-CG 3.46Å; Y303-E305 PolarHBondContact OH-OE1 3Å; Y303-E305 VanDerWaalsContact OH-OE1 3.13Å; Y303-V310 HydrophobicContact CD1-CB 3.77Å; Y303-V310 HydrophobicContact CD1-CG1 3.93Å; Y303-V310 HydrophobicContact CE1-CB 4.08Å; Y303-V310 HydrophobicContact CE1-CG1 4Å; Y303-V310 PolarHBondContact O-N 2.93Å; Y303-L338 HydrophobicContact CD1-CD2 4.22Å; Y303-L338 HydrophobicContact CD2-CD1 3.8Å; Y303-L338 HydrophobicContact CD2-CD2 3.83Å; Y303-L338 HydrophobicContact CD2-CG 4.36Å; Y303-L338 HydrophobicContact CE2-CD1 3.8Å; Y303-L338 HydrophobicContact CE2-CD2 4.44Å; Y303-L338 HydrophobicContact CG-CD1 4.49Å; Y303-L338 HydrophobicContact CG-CD2 3.7Å; Y303-L341 HydrophobicContact CD1-CD1 3.52Å; Y303-L341 HydrophobicContact CE1-CD1 4.23Å; Y303-L341 HydrophobicContact CG-CD1 4.17Å; Y303-R354 PolarHBondContact OH-NH1 2.97Å; Y303-C461 HydrophobicContact CE2-CB 4.08Å; Y303-C461 PolarHBondContact OH-SG 2.87Å; Y303-W462 VanDerWaalsContact CD2-O 3.23Å; Y303-W462 WeakPolarHBondContact CD2-O 3.39Å; Y303-I463 HydrophobicContact CD2-CG2 3.94Å
304Y98.7Very high94.6Very high43 Ų4352.3 Ų52.317%0.16926%0.26CS..EExtended strand (participates in β ladder)trans-135.2142.9-178.5-69.2-95.1000112.1V302 N308 R309 W462 E464V302-Y304 HydrophobicContact CB-CE2 3.8Å; V302-Y304 HydrophobicContact CG1-CD2 4.19Å; V302-Y304 HydrophobicContact CG1-CE2 3.42Å; V302-Y304 VanDerWaalsContact CG1-CE2 3.42Å; Y304-N308 CarbonylContact C-O 3.53Å; Y304-N308 VanDerWaalsContact CA-O 3.25Å; Y304-N308 WeakPolarHBondContact CA-O 3.34Å; Y304-R309 HydrophobicContact CD1-CB 4.03Å; Y304-R309 HydrophobicContact CE1-CB 3.65Å; Y304-R309 HydrophobicContact CE1-CG 4.14Å; Y304-W462 VanDerWaalsContact CB-NE1 3.34Å; Y304-W462 HydrophobicContact CD1-CH2 4.26Å; Y304-W462 AromaticContact CD1-CZ2 3.83Å; Y304-W462 HydrophobicContact CD1-CZ2 3.83Å; Y304-W462 HydrophobicContact CD2-CD2 4.36Å; Y304-W462 HydrophobicContact CD2-CE3 4.26Å; Y304-W462 AromaticContact CD2-CH2 3.76Å; Y304-W462 HydrophobicContact CD2-CH2 3.76Å; Y304-W462 AromaticContact CD2-CZ2 3.88Å; Y304-W462 HydrophobicContact CD2-CZ2 3.88Å; Y304-W462 AromaticContact CD2-CZ3 3.98Å; Y304-W462 HydrophobicContact CD2-CZ3 3.98Å; Y304-W462 HydrophobicContact CE1-CZ2 4.47Å; Y304-W462 HydrophobicContact CE2-CH2 4.07Å; Y304-W462 HydrophobicContact CE2-CZ3 4.36Å; Y304-W462 HydrophobicContact CG-CD2 4.32Å; Y304-W462 AromaticContact CG-CE2 3.75Å; Y304-W462 AromaticContact CG-CH2 3.89Å; Y304-W462 HydrophobicContact CG-CH2 3.89Å; Y304-W462 AromaticContact CG-CZ2 3.51Å; Y304-W462 HydrophobicContact CG-CZ2 3.51Å; Y304-W462 HydrophobicContact CG-CZ3 4.44Å; Y304-W462 PolarHBondContact N-O 3.37Å; Y304-W462 PolarHBondContact O-N 2.82Å; Y304-E464 HydrophobicContact CD2-CB 4.48Å; Y304-E464 HydrophobicContact CE2-CB 4Å
305E98.4Very high95.2Very high0 Ų049.8 Ų49.80%025%0.249CC..EExtended strand (participates in β ladder)trans-118.8109.8168.1-66.8-178.4-17600108.3Y303 N307 N308 V310 N343 R346 I350 R354 P460Y303-E305 HydrophobicContact CE1-CG 3.68Å; Y303-E305 WeakPolarHBondContact CE1-OE1 3.4Å; Y303-E305 WeakPolarHBondContact OH-CG 3.46Å; Y303-E305 PolarHBondContact OH-OE1 3Å; Y303-E305 VanDerWaalsContact OH-OE1 3.13Å; E305-N307 PolarHBondContact O-N 3.28Å; E305-N308 PolarHBondContact N-O 2.78Å; E305-N308 PolarHBondContact O-N 3.48Å; E305-V310 HydrophobicContact CB-CG2 3.93Å; E305-V310 HydrophobicContact CG-CB 4.48Å; E305-V310 HydrophobicContact CG-CG2 3.91Å; E305-N343 WeakPolarHBondContact OE2-CB 3.15Å; E305-N343 PolarHBondContact OE2-ND2 3.44Å; E305-R346 IonicContact OE1-CZ 3.85Å; E305-R346 VanDerWaalsContact OE1-CZ 3.3Å; E305-R346 IonicContact OE1-NE 3.3Å; E305-R346 PolarHBondContact OE1-NE 2.79Å; E305-R346 VanDerWaalsContact OE1-NE 3.14Å; E305-R346 IonicContact OE1-NH2 2.71Å; E305-R346 PolarHBondContact OE1-NH2 3.01Å; E305-R346 IonicContact OE2-CZ 3.83Å; E305-R346 IonicContact OE2-NE 2.79Å; E305-R346 PolarHBondContact OE2-NE 3.47Å; E305-R346 IonicContact OE2-NH2 3.41Å; E305-R346 PolarHBondContact OE2-NH2 3.35Å; E305-I350 HydrophobicContact CB-CD1 4.24Å; E305-I350 HydrophobicContact CB-CG2 4.14Å; E305-I350 VanDerWaalsContact CD-CG2 3.47Å; E305-I350 HydrophobicContact CG-CG2 3.8Å; E305-I350 WeakPolarHBondContact OE2-CG2 3.26Å; E305-R354 WeakPolarHBondContact OE1-CD 3.45Å; E305-R354 IonicContact OE1-CZ 3.75Å; E305-R354 IonicContact OE1-NE 3.89Å; E305-R354 IonicContact OE1-NH1 2.75Å; E305-R354 PolarHBondContact OE1-NH1 3.1Å; E305-P460 WeakPolarHBondContact CA-O 3.23Å
306L97.1Very high95.5Very high50 Ų5048.2 Ų48.226%0.26224%0.238SC..THydrogen-bonded Turntrans55.4-119.1-165.3-59168.8000111.5I350 T457 T459 W462L306-I350 HydrophobicContact CD1-CD1 3.98Å; L306-I350 HydrophobicContact CG-CD1 4.13Å; L306-T457 CarbonylContact C-O 3.57Å; L306-T457 WeakPolarHBondContact CA-O 3.36Å; L306-T457 WeakPolarHBondContact CB-O 3.49Å; L306-T459 WeakPolarHBondContact CA-O 3.41Å; L306-T459 PolarHBondContact N-O 3.25Å; L306-W462 PolarHBondContact O-NE1 2.74Å
307N96.8Very high95.7Very high113 Ų11342 Ų4260%0.60422%0.218SC*.THydrogen-bonded Turntrans-93.80.7175.565.7-39.5000113.7E305 T457E305-N307 PolarHBondContact O-N 3.28Å; N307-T457 HydrophobicContact CB-CG2 4.3Å
308N96.9Very high95.7Very high55 Ų5541.2 Ų41.229%0.29422%0.217SC..EExtended strand (participates in β ladder)trans-95.8129.3-176.6-58.4-79.4000110.5Y304 E305Y304-N308 CarbonylContact C-O 3.53Å; Y304-N308 VanDerWaalsContact CA-O 3.25Å; Y304-N308 WeakPolarHBondContact CA-O 3.34Å; E305-N308 PolarHBondContact N-O 2.78Å; E305-N308 PolarHBondContact O-N 3.48Å
309R97.8Very high95.6Very high128 Ų12844 Ų4448%0.48324%0.237SC..EExtended strand (participates in β ladder)trans-71.3131.5168.3-173.7177.3173.9-72.9-2.9109.2V302 Y304 G311V302-R309 HydrophobicContact CG1-CG 3.69Å; Y304-R309 HydrophobicContact CD1-CB 4.03Å; Y304-R309 HydrophobicContact CE1-CB 3.65Å; Y304-R309 HydrophobicContact CE1-CG 4.14Å; R309-G311 PolarHBondContact NH1-O 3.2Å
310V97.8Very high95.5Very high6 Ų646.3 Ų46.34%0.03625%0.253CS..  trans-127.9121.2-174.91760000110Y303 E305 L341 N343Y303-V310 HydrophobicContact CD1-CB 3.77Å; Y303-V310 HydrophobicContact CD1-CG1 3.93Å; Y303-V310 HydrophobicContact CE1-CB 4.08Å; Y303-V310 HydrophobicContact CE1-CG1 4Å; Y303-V310 PolarHBondContact O-N 2.93Å; E305-V310 HydrophobicContact CB-CG2 3.93Å; E305-V310 HydrophobicContact CG-CB 4.48Å; E305-V310 HydrophobicContact CG-CG2 3.91Å; V310-L341 HydrophobicContact CG1-CB 3.95Å; V310-N343 HydrophobicContact CG1-CB 4.1Å; V310-N343 HydrophobicContact CG2-CB 4.02Å
311G94.6Very high95.4Very high33 Ų3345.6 Ų45.634%0.3425%0.248SC..SBendtrans83-167.2-177.800000114.4R309R309-G311 PolarHBondContact NH1-O 3.2Å
312E92.9Very high95.3Very high166 Ų16647.7 Ų47.778%0.77626%0.259SS*.PPolyproline II helixtrans-91.2169.4176.1-64.6-169.8160.800111.9
313A95.1Very high95.3Very high34 Ų3447.1 Ų47.128%0.28126%0.255SS..PPolyproline II helixtrans-83.5119.7174.400000109.2V302V302-A313 HydrophobicContact CG2-CB 3.96Å
314F94.9Very high95.2Very high29 Ų2947.1 Ų47.113%0.12726%0.256CS..EExtended strand (participates in β ladder)trans-74.2135.6175.5-179.2-87.4000110.3S300 I301 A316 V321 R333 F336S300-F314 CarbonylContact C-O 3.57Å; S300-F314 VanDerWaalsContact CA-O 3.24Å; S300-F314 WeakPolarHBondContact CA-O 3.25Å; I301-F314 HydrophobicContact CB-CB 4.38Å; I301-F314 HydrophobicContact CD1-CD1 4.26Å; I301-F314 PolarHBondContact N-O 2.85Å; I301-F314 PolarHBondContact O-N 3.35Å; F314-A316 HydrophobicContact CE1-CB 4.39Å; F314-V321 HydrophobicContact CD1-CG1 4.27Å; F314-V321 HydrophobicContact CE1-CB 4.46Å; F314-V321 HydrophobicContact CE1-CG1 3.47Å; F314-V321 VanDerWaalsContact CE1-CG1 3.47Å; F314-V321 HydrophobicContact CE1-CG2 4.07Å; F314-V321 HydrophobicContact CZ-CG1 3.95Å; F314-R333 VanDerWaalsContact CZ-O 3.27Å; F314-R333 WeakPolarHBondContact CZ-O 3.42Å; F314-F336 HydrophobicContact CB-CB 4.26Å; F314-F336 HydrophobicContact CB-CD1 3.58Å; F314-F336 HydrophobicContact CB-CD2 3.99Å; F314-F336 HydrophobicContact CB-CE1 3.78Å; F314-F336 HydrophobicContact CB-CE2 4.17Å; F314-F336 HydrophobicContact CB-CG 3.69Å; F314-F336 HydrophobicContact CB-CZ 4.08Å; F314-F336 HydrophobicContact CD1-CB 4.29Å; F314-F336 HydrophobicContact CD2-CB 3.63Å; F314-F336 HydrophobicContact CD2-CD2 4.03Å; F314-F336 AromaticContact CD2-CG 3.84Å; F314-F336 HydrophobicContact CD2-CG 3.84Å; F314-F336 HydrophobicContact CE2-CB 3.96Å; F314-F336 HydrophobicContact CG-CB 3.8Å; F314-F336 HydrophobicContact CG-CD1 4.04Å; F314-F336 HydrophobicContact CG-CD2 4.27Å; F314-F336 AromaticContact CG-CG 3.8Å; F314-F336 HydrophobicContact CG-CG 3.8Å; F314-F336 HydrophobicContact CZ-CB 4.42Å
315Q94.8Very high95.1Very high79 Ų7946 Ų4637%0.36926%0.257SS..EExtended strand (participates in β ladder)trans-112.6109-176.1-62.5-65.4-20.100110.4S317 H468Q315-S317 PolarHBondContact O-N 3.12Å; Q315-S317 VanDerWaalsContact O-N 3.17Å; Q315-H468 PolarHBondContact OE1-CE1 3.48Å
316A92.7Very high95Very high0 Ų050.4 Ų50.40%028%0.276CS..EExtended strand (participates in β ladder)trans-76.7104.3-174.400000111.3H297 W298 C299 F314 V321H297-A316 WeakPolarHBondContact CA-O 3.45Å; W298-A316 HydrophobicContact CD2-CB 4.47Å; W298-A316 HydrophobicContact CZ2-CB 4.26Å; W298-A316 PolarHBondContact N-O 3.01Å; C299-A316 WeakPolarHBondContact O-CB 3.2Å; C299-A316 PolarHBondContact O-N 3.4Å; C299-A316 WeakPolarHBondContact SG-CB 3.47Å; F314-A316 HydrophobicContact CE1-CB 4.39Å; A316-V321 HydrophobicContact CB-CG2 3.74Å
317S87.8Confident94.7Very high50 Ų5052.2 Ų52.235%0.3529%0.289SS..  trans-92.2-35.4174.5-48.10000112.5H297 Q315H297-S317 PolarHBondContact CE1-OG 2.87Å; H297-S317 PolarHBondContact ND1-OG 3.47Å; H297-S317 VanDerWaalsContact ND1-OG 3.08Å; Q315-S317 PolarHBondContact O-N 3.12Å; Q315-S317 VanDerWaalsContact O-N 3.17Å
318S91.4Very high94.2Very high28 Ų2848.8 Ų48.820%0.19627%0.271CS..SBendtrans-81.7141.2172.51650000109.9W298 S320 N334W298-S318 PolarHBondContact NE1-O 2.99Å; S318-S320 WeakPolarHBondContact CB-O 3.43Å; S318-S320 PolarHBondContact O-N 3.47Å; S318-S320 VanDerWaalsContact O-N 3.15Å; S318-S320 PolarHBondContact OG-N 3.44Å; S318-S320 PolarHBondContact OG-O 2.77Å; S318-N334 WeakPolarHBondContact CB-OD1 3.37Å
319T91.1Very high92.9Very high81 Ų8151.6 Ų51.650%0.49729%0.293SS..SBendtrans-62.6-14171.253.60000113.3Y364 Y365T319-Y364 CarbonylContact O-C 3.49Å; T319-Y364 VanDerWaalsContact O-CA 3.23Å; T319-Y364 WeakPolarHBondContact O-CA 3.45Å; T319-Y365 WeakPolarHBondContact CB-O 3.3Å; T319-Y365 HydrophobicContact CG2-CD1 4.21Å; T319-Y365 PolarHBondContact O-N 3.27Å
320S94.4Very high91.7Very high49 Ų4948.6 Ų48.634%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-121.9122.2175.61650000110.4S318 H362S318-S320 WeakPolarHBondContact CB-O 3.43Å; S318-S320 PolarHBondContact O-N 3.47Å; S318-S320 VanDerWaalsContact O-N 3.15Å; S318-S320 PolarHBondContact OG-N 3.44Å; S318-S320 PolarHBondContact OG-O 2.77Å; S320-H362 PolarHBondContact OG-NE2 2.79Å
321V95.4Very high90.2Very high0 Ų055.7 Ų55.70%033%0.329CS..EExtended strand (participates in β ladder)trans-133.7131-176.9174.60000111.4I301 F314 A316 V323 N334 H362 L363I301-V321 HydrophobicContact CD1-CG1 4.18Å; F314-V321 HydrophobicContact CD1-CG1 4.27Å; F314-V321 HydrophobicContact CE1-CB 4.46Å; F314-V321 HydrophobicContact CE1-CG1 3.47Å; F314-V321 VanDerWaalsContact CE1-CG1 3.47Å; F314-V321 HydrophobicContact CE1-CG2 4.07Å; F314-V321 HydrophobicContact CZ-CG1 3.95Å; A316-V321 HydrophobicContact CB-CG2 3.74Å; V321-V323 HydrophobicContact CG1-CG2 4.31Å; V321-N334 WeakPolarHBondContact CA-O 3.26Å; V321-H362 PolarHBondContact O-CD2 3.44Å; V321-L363 PolarHBondContact N-O 3.28Å; V321-L363 PolarHBondContact O-N 2.67Å
322L96.6Very high89.4Confident45 Ų4557.4 Ų57.424%0.23633%0.33CS..EExtended strand (participates in β ladder)trans-99.1127.9172.9-177.366.2000110.3D324 N334 R335 F336 R359 H362 L375L322-D324 HydrophobicContact CG-CB 4.3Å; L322-N334 PolarHBondContact N-O 3.31Å; L322-R335 HydrophobicContact CB-CG 4.44Å; L322-R335 HydrophobicContact CD2-CG 4.41Å; L322-R335 CarbonylContact O-C 3.57Å; L322-R335 WeakPolarHBondContact O-CA 3.14Å; L322-F336 PolarHBondContact O-N 2.93Å; L322-R359 WeakPolarHBondContact CD1-O 3.3Å; L322-H362 HydrophobicContact CD1-CB 4.31Å; L322-L375 HydrophobicContact CD1-CD1 3.72Å
323V97.7Very high88.8Confident0 Ų057.4 Ų57.40%032%0.323CS..EExtended strand (participates in β ladder)trans-114.5114171.5-173.20000108.4I301 V321 F336 L338 G360 V361 L363 F443 I463I301-V323 HydrophobicContact CD1-CG2 3.73Å; V321-V323 HydrophobicContact CG1-CG2 4.31Å; V323-F336 WeakPolarHBondContact CA-O 3.32Å; V323-F336 HydrophobicContact CB-CB 4.45Å; V323-F336 HydrophobicContact CG1-CB 4.22Å; V323-F336 HydrophobicContact CG1-CD1 3.95Å; V323-F336 HydrophobicContact CG1-CG 4.35Å; V323-F336 HydrophobicContact CG2-CB 4.15Å; V323-F336 HydrophobicContact CG2-CD1 4.36Å; V323-L338 HydrophobicContact CG1-CD1 3.83Å; V323-L338 HydrophobicContact CG1-CD2 4.06Å; V323-L338 HydrophobicContact CG1-CG 3.9Å; V323-G360 CarbonylContact O-C 3.52Å; V323-G360 WeakPolarHBondContact O-CA 3.36Å; V323-V361 HydrophobicContact CB-CG1 3.88Å; V323-V361 HydrophobicContact CG2-CG1 4.4Å; V323-V361 PolarHBondContact N-O 2.8Å; V323-V361 PolarHBondContact O-N 2.74Å; V323-L363 HydrophobicContact CG2-CD1 4.25Å; V323-F443 HydrophobicContact CG1-CZ 4.13Å; V323-I463 HydrophobicContact CG1-CD1 4.41Å
324D97.2Very high88.5Confident1 Ų159.1 Ų59.11%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-136.8170.9-168.576.739.7000114.3L322 F326 R335 F336 L338 G358L322-D324 HydrophobicContact CG-CB 4.3Å; D324-F326 HydrophobicContact CB-CD2 4.09Å; D324-F326 WeakPolarHBondContact OD1-CA 3.3Å; D324-F326 WeakPolarHBondContact OD1-CB 3.42Å; D324-F326 PolarHBondContact OD1-N 2.79Å; D324-R335 IonicContact OD1-NH2 3.65Å; D324-R335 IonicContact OD2-CZ 3.69Å; D324-R335 IonicContact OD2-NE 3.76Å; D324-R335 PolarHBondContact OD2-NE 3.22Å; D324-R335 IonicContact OD2-NH2 2.73Å; D324-R335 PolarHBondContact OD2-NH2 2.85Å; D324-F336 PolarHBondContact N-O 2.92Å; D324-L338 VanDerWaalsContact O-CB 3.23Å; D324-L338 WeakPolarHBondContact O-CB 3.47Å; D324-L338 WeakPolarHBondContact O-CG 3.15Å; D324-L338 PolarHBondContact O-N 3.18Å; D324-G358 WeakPolarHBondContact CB-O 3.22Å
325G96.4Very high88.4Confident19 Ų1960.7 Ų60.720%0.19633%0.332CS..SBendtrans-915.2-178.900000114.7G339 G358G325-G339 WeakPolarHBondContact O-CA 3.41Å; G325-G358 PolarHBondContact N-O 3.1Å
326F95.2Very high88.4Confident92 Ų9257.7 Ų57.740%0.40432%0.318SS..SBendtrans-86.4-179.7-174.9-60.9-63000112.2D324 C337 G339 G358 R359D324-F326 HydrophobicContact CB-CD2 4.09Å; D324-F326 WeakPolarHBondContact OD1-CA 3.3Å; D324-F326 WeakPolarHBondContact OD1-CB 3.42Å; D324-F326 PolarHBondContact OD1-N 2.79Å; F326-C337 WeakPolarHBondContact O-CB 3.21Å; F326-G339 WeakPolarHBondContact O-CA 3.48Å; F326-G339 PolarHBondContact O-N 3.44Å; F326-G339 VanDerWaalsContact O-N 3.1Å; F326-G358 WeakPolarHBondContact CE2-O 3.41Å; F326-R359 HydrophobicContact CE2-CB 4.42Å; F326-R359 HydrophobicContact CE2-CG 3.93Å; F326-R359 HydrophobicContact CZ-CG 4.26Å
327T91.9Very high88.6Confident88 Ų8858.3 Ų58.354%0.5432%0.323SS..  trans-124.238.1-170.563.10000113.7P329 L340T327-P329 VanDerWaalsContact O-CD 3.25Å; T327-P329 WeakPolarHBondContact O-CD 3.4Å; T327-L340 HydrophobicContact CG2-CG 4.41Å
328D85.3Confident89Confident42 Ų4256 Ų5623%0.22531%0.306CS..  trans-70.4113.6176.9174.83.4000109.8S330 R335 C337 L340D328-S330 VanDerWaalsContact C-N 3.3Å; D328-S330 VanDerWaalsContact CG-OG 3.26Å; D328-S330 VanDerWaalsContact OD1-CB 3.25Å; D328-S330 WeakPolarHBondContact OD1-CB 3.32Å; D328-S330 PolarHBondContact OD1-N 3.42Å; D328-S330 PolarHBondContact OD1-OG 2.93Å; D328-S330 PolarHBondContact OD2-OG 3.42Å; D328-R335 IonicContact OD2-CZ 2.8Å; D328-R335 IonicContact OD2-NH1 2.73Å; D328-R335 PolarHBondContact OD2-NH1 3.02Å; D328-C337 PolarHBondContact O-SG 3.24Å; D328-L340 VanDerWaalsContact O-CD1 3.28Å; D328-L340 WeakPolarHBondContact O-CD1 3.39Å
329P69.1Low89.1Confident114 Ų11455.7 Ų55.774%0.7431%0.308SS*.  trans-86.9-0.1-175.238.2-35.9000112.4T327T327-P329 VanDerWaalsContact O-CD 3.25Å; T327-P329 WeakPolarHBondContact O-CD 3.4Å
330S72.9Confident89.2Confident65 Ų6556 Ų5646%0.45531%0.306SS..SBendtrans-63.5140.3173.568.40000109.5D328 N332D328-S330 VanDerWaalsContact C-N 3.3Å; D328-S330 VanDerWaalsContact CG-OG 3.26Å; D328-S330 VanDerWaalsContact OD1-CB 3.25Å; D328-S330 WeakPolarHBondContact OD1-CB 3.32Å; D328-S330 PolarHBondContact OD1-N 3.42Å; D328-S330 PolarHBondContact OD1-OG 2.93Å; D328-S330 PolarHBondContact OD2-OG 3.42Å; S330-N332 PolarHBondContact O-N 2.78Å
331N66.1Low89.2Confident155 Ų15555.1 Ų55.183%0.82930%0.297SS*.  trans-76.351.6176.7-167.13.7000110.9R333N331-R333 PolarHBondContact O-N 2.78Å; N331-R333 VanDerWaalsContact O-N 3.15Å
332N77.9Confident89.1Confident68 Ų6860.4 Ų60.436%0.36433%0.334SS..  trans-73.2102.8179.2-177.8-11.9000108.7S330 N334 R335S330-N332 PolarHBondContact O-N 2.78Å; N332-N334 PolarHBondContact O-N 2.56Å; N332-N334 WeakPolarHBondContact OD1-CB 3.4Å; N332-N334 PolarHBondContact OD1-N 3.03Å; N332-N334 VanDerWaalsContact OD1-N 3.12Å; N332-R335 HydrophobicContact CB-CB 4.14Å; N332-R335 PolarHBondContact O-N 3.41Å
333R80Confident89Confident167 Ų16759.7 Ų59.763%0.6333%0.33SS*.THydrogen-bonded Turntrans-66.31.1-175.4-45.1-173.187.1179.17.4114.2F314 N331F314-R333 VanDerWaalsContact CZ-O 3.27Å; F314-R333 WeakPolarHBondContact CZ-O 3.42Å; N331-R333 PolarHBondContact O-N 2.78Å; N331-R333 VanDerWaalsContact O-N 3.15Å
334N89.1Confident88.9Confident70 Ų7066.4 Ų66.437%0.37437%0.371SS..THydrogen-bonded Turntrans-112.12.9177.5-54.2-6.3000112S318 V321 L322 N332S318-N334 WeakPolarHBondContact CB-OD1 3.37Å; V321-N334 WeakPolarHBondContact CA-O 3.26Å; L322-N334 PolarHBondContact N-O 3.31Å; N332-N334 PolarHBondContact O-N 2.56Å; N332-N334 WeakPolarHBondContact OD1-CB 3.4Å; N332-N334 PolarHBondContact OD1-N 3.03Å; N332-N334 VanDerWaalsContact OD1-N 3.12Å
335R93.9Very high88.7Confident61 Ų6171.3 Ų71.323%0.2340%0.397CS..EExtended strand (participates in β ladder)trans-135.9119.2-174.3-169-175.6-175.21793.3111.7L322 D324 D328 N332L322-R335 HydrophobicContact CB-CG 4.44Å; L322-R335 HydrophobicContact CD2-CG 4.41Å; L322-R335 CarbonylContact O-C 3.57Å; L322-R335 WeakPolarHBondContact O-CA 3.14Å; D324-R335 IonicContact OD1-NH2 3.65Å; D324-R335 IonicContact OD2-CZ 3.69Å; D324-R335 IonicContact OD2-NE 3.76Å; D324-R335 PolarHBondContact OD2-NE 3.22Å; D324-R335 IonicContact OD2-NH2 2.73Å; D324-R335 PolarHBondContact OD2-NH2 2.85Å; D328-R335 IonicContact OD2-CZ 2.8Å; D328-R335 IonicContact OD2-NH1 2.73Å; D328-R335 PolarHBondContact OD2-NH1 3.02Å; N332-R335 HydrophobicContact CB-CB 4.14Å; N332-R335 PolarHBondContact O-N 3.41Å
336F94.9Very high88.7Confident16 Ų1673.1 Ų73.17%0.0740%0.398CS..EExtended strand (participates in β ladder)trans-102.695.3175.9-171.1-164.7000110.5I301 F314 L322 V323 D324 L338 L341I301-F336 HydrophobicContact CB-CD1 4.19Å; I301-F336 HydrophobicContact CB-CE1 4.24Å; I301-F336 HydrophobicContact CG2-CD1 4.01Å; I301-F336 HydrophobicContact CG2-CE1 3.98Å; F314-F336 HydrophobicContact CB-CB 4.26Å; F314-F336 HydrophobicContact CB-CD1 3.58Å; F314-F336 HydrophobicContact CB-CD2 3.99Å; F314-F336 HydrophobicContact CB-CE1 3.78Å; F314-F336 HydrophobicContact CB-CE2 4.17Å; F314-F336 HydrophobicContact CB-CG 3.69Å; F314-F336 HydrophobicContact CB-CZ 4.08Å; F314-F336 HydrophobicContact CD1-CB 4.29Å; F314-F336 HydrophobicContact CD2-CB 3.63Å; F314-F336 HydrophobicContact CD2-CD2 4.03Å; F314-F336 AromaticContact CD2-CG 3.84Å; F314-F336 HydrophobicContact CD2-CG 3.84Å; F314-F336 HydrophobicContact CE2-CB 3.96Å; F314-F336 HydrophobicContact CG-CB 3.8Å; F314-F336 HydrophobicContact CG-CD1 4.04Å; F314-F336 HydrophobicContact CG-CD2 4.27Å; F314-F336 AromaticContact CG-CG 3.8Å; F314-F336 HydrophobicContact CG-CG 3.8Å; F314-F336 HydrophobicContact CZ-CB 4.42Å; L322-F336 PolarHBondContact O-N 2.93Å; V323-F336 WeakPolarHBondContact CA-O 3.32Å; V323-F336 HydrophobicContact CB-CB 4.45Å; V323-F336 HydrophobicContact CG1-CB 4.22Å; V323-F336 HydrophobicContact CG1-CD1 3.95Å; V323-F336 HydrophobicContact CG1-CG 4.35Å; V323-F336 HydrophobicContact CG2-CB 4.15Å; V323-F336 HydrophobicContact CG2-CD1 4.36Å; D324-F336 PolarHBondContact N-O 2.92Å; F336-L338 HydrophobicContact CD1-CD2 3.99Å; F336-L338 HydrophobicContact CD2-CD2 4.16Å; F336-L338 HydrophobicContact CE1-CD2 3.8Å; F336-L338 HydrophobicContact CE2-CD2 3.98Å; F336-L338 HydrophobicContact CG-CD2 4.18Å; F336-L338 HydrophobicContact CZ-CD2 3.79Å; F336-L338 PolarHBondContact O-N 3.06Å; F336-L341 HydrophobicContact CE2-CD1 4.05Å; F336-L341 HydrophobicContact CZ-CD1 4.27Å
337C95.3Very high88.6Confident14 Ų1471.8 Ų71.810%0.09540%0.395CS..EExtended strand (participates in β ladder)trans-81.695.1-178.2-62.50000111.4F326 D328 G339 L340F326-C337 WeakPolarHBondContact O-CB 3.21Å; D328-C337 PolarHBondContact O-SG 3.24Å; C337-G339 PolarHBondContact O-N 3.12Å; C337-L340 HydrophobicContact CB-CD1 4.11Å
338L96.4Very high88.7Confident0 Ų071.3 Ų71.30%040%0.395CS..G310 helixtrans-66.4-23.4179.9-55.4-179000112.5Y303 V323 D324 F336 L340 L341 R354 I357 F443Y303-L338 HydrophobicContact CD1-CD2 4.22Å; Y303-L338 HydrophobicContact CD2-CD1 3.8Å; Y303-L338 HydrophobicContact CD2-CD2 3.83Å; Y303-L338 HydrophobicContact CD2-CG 4.36Å; Y303-L338 HydrophobicContact CE2-CD1 3.8Å; Y303-L338 HydrophobicContact CE2-CD2 4.44Å; Y303-L338 HydrophobicContact CG-CD1 4.49Å; Y303-L338 HydrophobicContact CG-CD2 3.7Å; V323-L338 HydrophobicContact CG1-CD1 3.83Å; V323-L338 HydrophobicContact CG1-CD2 4.06Å; V323-L338 HydrophobicContact CG1-CG 3.9Å; D324-L338 VanDerWaalsContact O-CB 3.23Å; D324-L338 WeakPolarHBondContact O-CB 3.47Å; D324-L338 WeakPolarHBondContact O-CG 3.15Å; D324-L338 PolarHBondContact O-N 3.18Å; F336-L338 HydrophobicContact CD1-CD2 3.99Å; F336-L338 HydrophobicContact CD2-CD2 4.16Å; F336-L338 HydrophobicContact CE1-CD2 3.8Å; F336-L338 HydrophobicContact CE2-CD2 3.98Å; F336-L338 HydrophobicContact CG-CD2 4.18Å; F336-L338 HydrophobicContact CZ-CD2 3.79Å; F336-L338 PolarHBondContact O-N 3.06Å; L338-L340 VanDerWaalsContact C-N 3.34Å; L338-L340 PolarHBondContact O-N 2.99Å; L338-L341 HydrophobicContact CD2-CD1 3.99Å; L338-L341 WeakPolarHBondContact O-CB 3.19Å; L338-L341 PolarHBondContact O-N 3.44Å; L338-R354 VanDerWaalsContact O-CZ 3.3Å; L338-R354 PolarHBondContact O-NH1 3Å; L338-R354 PolarHBondContact O-NH2 3.34Å; L338-I357 HydrophobicContact CD1-CD1 4.14Å; L338-F443 HydrophobicContact CD1-CD2 4.44Å; L338-F443 HydrophobicContact CD1-CE2 3.68Å; L338-F443 HydrophobicContact CD1-CZ 3.99Å
339G94.6Very high89.1Confident22 Ų2272.5 Ų72.523%0.22740%0.404CS..G310 helixtrans-61.9-34.2-175.700000114.5G325 F326 C337 L341 R354G325-G339 WeakPolarHBondContact O-CA 3.41Å; F326-G339 WeakPolarHBondContact O-CA 3.48Å; F326-G339 PolarHBondContact O-N 3.44Å; F326-G339 VanDerWaalsContact O-N 3.1Å; C337-G339 PolarHBondContact O-N 3.12Å; G339-L341 VanDerWaalsContact C-N 3.31Å; G339-L341 PolarHBondContact O-N 2.78Å; G339-R354 VanDerWaalsContact C-NH2 3.31Å; G339-R354 VanDerWaalsContact CA-NH2 3.35Å; G339-R354 PolarHBondContact O-NH2 3.36Å
340L92.3Very high90.3Very high87 Ų8767.1 Ų67.146%0.45537%0.369SS..G310 helixtrans-73.2-21.2178.2-74.5156000113.7T327 D328 C337 L338 S342T327-L340 HydrophobicContact CG2-CG 4.41Å; D328-L340 VanDerWaalsContact O-CD1 3.28Å; D328-L340 WeakPolarHBondContact O-CD1 3.39Å; C337-L340 HydrophobicContact CB-CD1 4.11Å; L338-L340 VanDerWaalsContact C-N 3.34Å; L338-L340 PolarHBondContact O-N 2.99Å; L340-S342 PolarHBondContact O-N 2.92Å
341L94.4Very high91.3Very high32 Ų3268.3 Ų68.317%0.16837%0.368CS..  trans-69.4126-172.7-54.9179.2000110.3Y303 V310 F336 L338 G339 R346 R354Y303-L341 HydrophobicContact CD1-CD1 3.52Å; Y303-L341 HydrophobicContact CE1-CD1 4.23Å; Y303-L341 HydrophobicContact CG-CD1 4.17Å; V310-L341 HydrophobicContact CG1-CB 3.95Å; F336-L341 HydrophobicContact CE2-CD1 4.05Å; F336-L341 HydrophobicContact CZ-CD1 4.27Å; L338-L341 HydrophobicContact CD2-CD1 3.99Å; L338-L341 WeakPolarHBondContact O-CB 3.19Å; L338-L341 PolarHBondContact O-N 3.44Å; G339-L341 VanDerWaalsContact C-N 3.31Å; G339-L341 PolarHBondContact O-N 2.78Å; L341-R346 PolarHBondContact O-NH1 2.82Å; L341-R346 PolarHBondContact O-NH2 3.48Å; L341-R354 PolarHBondContact O-NH2 3.2Å
342S94Very high92.6Very high110 Ų11063 Ų6377%0.76934%0.339SS*.  trans-91.6142177.6-71.70000111.4L340L340-S342 PolarHBondContact O-N 2.92Å
343N94.4Very high93.4Very high30 Ų3059.9 Ų59.916%0.1632%0.323CS..  trans-145.6122.5172177.114.8000108.9E305 V310 N345 R346E305-N343 WeakPolarHBondContact OE2-CB 3.15Å; E305-N343 PolarHBondContact OE2-ND2 3.44Å; V310-N343 HydrophobicContact CG1-CB 4.1Å; V310-N343 HydrophobicContact CG2-CB 4.02Å; N343-N345 VanDerWaalsContact C-N 3.33Å; N343-N345 PolarHBondContact OD1-N 3.26Å; N343-R346 HydrophobicContact CB-CB 4.24Å; N343-R346 VanDerWaalsContact O-CB 3.26Å; N343-R346 WeakPolarHBondContact O-CB 3.46Å; N343-R346 PolarHBondContact O-N 3.23Å
344V95.1Very high94.2Very high141 Ų14153.1 Ų53.186%0.85530%0.297SS*.THydrogen-bonded Turntrans-74.8-23.2179.2-630000112.9R346V344-R346 PolarHBondContact O-N 3.18Å
345N93.2Very high94.5Very high105 Ų10557.2 Ų57.256%0.56131%0.308SS*.THydrogen-bonded Turntrans-8810.6178.3-63.2-31.2000112.5N343N343-N345 VanDerWaalsContact C-N 3.33Å; N343-N345 PolarHBondContact OD1-N 3.26Å
346R96.1Very high94.6Very high57 Ų5758.9 Ų58.922%0.21532%0.317CS..  trans-71.2131.9-177.3-170.1175.4-69.8149.6-2110.6E305 L341 N343 V344 I350 E351 R354E305-R346 IonicContact OE1-CZ 3.85Å; E305-R346 VanDerWaalsContact OE1-CZ 3.3Å; E305-R346 IonicContact OE1-NE 3.3Å; E305-R346 PolarHBondContact OE1-NE 2.79Å; E305-R346 VanDerWaalsContact OE1-NE 3.14Å; E305-R346 IonicContact OE1-NH2 2.71Å; E305-R346 PolarHBondContact OE1-NH2 3.01Å; E305-R346 IonicContact OE2-CZ 3.83Å; E305-R346 IonicContact OE2-NE 2.79Å; E305-R346 PolarHBondContact OE2-NE 3.47Å; E305-R346 IonicContact OE2-NH2 3.41Å; E305-R346 PolarHBondContact OE2-NH2 3.35Å; L341-R346 PolarHBondContact O-NH1 2.82Å; L341-R346 PolarHBondContact O-NH2 3.48Å; N343-R346 HydrophobicContact CB-CB 4.24Å; N343-R346 VanDerWaalsContact O-CB 3.26Å; N343-R346 WeakPolarHBondContact O-CB 3.46Å; N343-R346 PolarHBondContact O-N 3.23Å; V344-R346 PolarHBondContact O-N 3.18Å; R346-I350 HydrophobicContact CG-CB 3.88Å; R346-I350 HydrophobicContact CG-CG2 3.76Å; R346-E351 HydrophobicContact CG-CG 3.81Å; R346-R354 VanDerWaalsContact CZ-NE 3.33Å; R346-R354 VanDerWaalsContact NH2-CZ 3.27Å
347N93.2Very high94.7Very high64 Ų6458.1 Ų58.134%0.34231%0.314SS..  trans-109.4166.3174.868.957.4000111.2T349 I350 E351N347-T349 PolarHBondContact O-N 2.8Å; N347-T349 VanDerWaalsContact O-N 3.1Å; N347-T349 WeakPolarHBondContact OD1-CA 3.19Å; N347-T349 VanDerWaalsContact OD1-CB 3.3Å; N347-T349 WeakPolarHBondContact OD1-CB 3.42Å; N347-T349 PolarHBondContact OD1-N 2.82Å; N347-I350 WeakPolarHBondContact ND2-CD1 3.36Å; N347-I350 WeakPolarHBondContact O-CA 3.21Å; N347-I350 WeakPolarHBondContact O-CB 3.38Å; N347-I350 PolarHBondContact O-N 2.88Å; N347-I350 PolarHBondContact OD1-N 3.43Å; N347-E351 PolarHBondContact O-N 2.89Å
348S94.9Very high94.7Very high77 Ų7758.3 Ų58.354%0.53832%0.319SS..Hα-helixtrans-57.5-27.3-17757.60000114.9N352S348-N352 WeakPolarHBondContact O-CB 3.35Å; S348-N352 VanDerWaalsContact O-CG 3.23Å; S348-N352 PolarHBondContact O-N 2.99Å; S348-N352 PolarHBondContact O-OD1 2.98Å
349T92.7Very high94.6Very high67 Ų6763.7 Ų63.741%0.41134%0.339SS..Hα-helixtrans-72-37176.3-54.80000110.9N347 T353 P460N347-T349 PolarHBondContact O-N 2.8Å; N347-T349 VanDerWaalsContact O-N 3.1Å; N347-T349 WeakPolarHBondContact OD1-CA 3.19Å; N347-T349 VanDerWaalsContact OD1-CB 3.3Å; N347-T349 WeakPolarHBondContact OD1-CB 3.42Å; N347-T349 PolarHBondContact OD1-N 2.82Å; T349-T353 WeakPolarHBondContact O-CB 3.3Å; T349-T353 PolarHBondContact O-N 3.48Å; T349-T353 PolarHBondContact O-OG1 2.71Å; T349-P460 HydrophobicContact CG2-CG 3.99Å
350I95.4Very high94.7Very high2 Ų262.6 Ų62.61%0.0133%0.328CS..Hα-helixtrans-68.6-46.5174-59.6163000109.8E305 L306 R346 N347 N352 T353 R354 P460E305-I350 HydrophobicContact CB-CD1 4.24Å; E305-I350 HydrophobicContact CB-CG2 4.14Å; E305-I350 VanDerWaalsContact CD-CG2 3.47Å; E305-I350 HydrophobicContact CG-CG2 3.8Å; E305-I350 WeakPolarHBondContact OE2-CG2 3.26Å; L306-I350 HydrophobicContact CD1-CD1 3.98Å; L306-I350 HydrophobicContact CG-CD1 4.13Å; R346-I350 HydrophobicContact CG-CB 3.88Å; R346-I350 HydrophobicContact CG-CG2 3.76Å; N347-I350 WeakPolarHBondContact ND2-CD1 3.36Å; N347-I350 WeakPolarHBondContact O-CA 3.21Å; N347-I350 WeakPolarHBondContact O-CB 3.38Å; N347-I350 PolarHBondContact O-N 2.88Å; N347-I350 PolarHBondContact OD1-N 3.43Å; I350-N352 PolarHBondContact O-N 3.45Å; I350-T353 PolarHBondContact O-N 3.03Å; I350-T353 VanDerWaalsContact O-N 3.12Å; I350-R354 HydrophobicContact CG2-CG 4.32Å; I350-R354 VanDerWaalsContact O-CG 3.32Å; I350-R354 WeakPolarHBondContact O-CG 3.46Å; I350-R354 PolarHBondContact O-N 2.83Å; I350-P460 HydrophobicContact CB-CB 4.37Å; I350-P460 HydrophobicContact CG1-CB 3.89Å
351E93.1Very high95Very high89 Ų8958.5 Ų58.542%0.41631%0.306SS..Hα-helixtrans-58.4-45.2176-63.2-177.8153.500112.8R346 N347 T353 R354 R355R346-E351 HydrophobicContact CG-CG 3.81Å; N347-E351 PolarHBondContact O-N 2.89Å; E351-T353 VanDerWaalsContact C-N 3.32Å; E351-T353 PolarHBondContact O-N 2.91Å; E351-R354 PolarHBondContact O-N 3.08Å; E351-R355 PolarHBondContact O-N 2.96Å
352N92.8Very high95.2Very high44 Ų4458.9 Ų58.924%0.23531%0.307CS..Hα-helixtrans-59.8-43.6174.2-77.213.6000111.4E25 S348 I350 R355 H356E25-N352 PolarHBondContact OE1-ND2 2.92Å; S348-N352 WeakPolarHBondContact O-CB 3.35Å; S348-N352 VanDerWaalsContact O-CG 3.23Å; S348-N352 PolarHBondContact O-N 2.99Å; S348-N352 PolarHBondContact O-OD1 2.98Å; I350-N352 PolarHBondContact O-N 3.45Å; N352-R355 PolarHBondContact O-N 3.35Å; N352-R355 VanDerWaalsContact OD1-CZ 3.29Å; N352-R355 PolarHBondContact OD1-NH1 2.66Å; N352-R355 PolarHBondContact OD1-NH2 2.88Å; N352-H356 PolarHBondContact O-ND1 3Å
353T95.3Very high95.4Very high2 Ų253.6 Ų53.61%0.01227%0.271CS..Hα-helixtrans-64.5-44.1179.5-58.60000111.3T349 I350 E351 R355 H356 I357 V444 P460 C461T349-T353 WeakPolarHBondContact O-CB 3.3Å; T349-T353 PolarHBondContact O-N 3.48Å; T349-T353 PolarHBondContact O-OG1 2.71Å; I350-T353 PolarHBondContact O-N 3.03Å; I350-T353 VanDerWaalsContact O-N 3.12Å; E351-T353 VanDerWaalsContact C-N 3.32Å; E351-T353 PolarHBondContact O-N 2.91Å; T353-R355 VanDerWaalsContact C-N 3.33Å; T353-R355 PolarHBondContact O-N 2.84Å; T353-H356 PolarHBondContact O-N 3.14Å; T353-I357 PolarHBondContact O-N 3.28Å; T353-V444 HydrophobicContact CG2-CB 4.03Å; T353-V444 HydrophobicContact CG2-CG2 3.97Å; T353-P460 HydrophobicContact CG2-CB 4.07Å; T353-P460 HydrophobicContact CG2-CG 4.38Å; T353-P460 WeakPolarHBondContact OG1-CB 3.37Å; T353-P460 WeakPolarHBondContact OG1-CG 3.21Å; T353-C461 HydrophobicContact CG2-CB 3.88Å
354R97.6Very high95.4Very high25 Ų2554.6 Ų54.69%0.09427%0.272CS..Hα-helixtrans-57.3-42177.6-72.3169.961.678.72.8112.7Y303 E305 L338 G339 L341 R346 I350 E351 H356 I357 C461Y303-R354 PolarHBondContact OH-NH1 2.97Å; E305-R354 WeakPolarHBondContact OE1-CD 3.45Å; E305-R354 IonicContact OE1-CZ 3.75Å; E305-R354 IonicContact OE1-NE 3.89Å; E305-R354 IonicContact OE1-NH1 2.75Å; E305-R354 PolarHBondContact OE1-NH1 3.1Å; L338-R354 VanDerWaalsContact O-CZ 3.3Å; L338-R354 PolarHBondContact O-NH1 3Å; L338-R354 PolarHBondContact O-NH2 3.34Å; G339-R354 VanDerWaalsContact C-NH2 3.31Å; G339-R354 VanDerWaalsContact CA-NH2 3.35Å; G339-R354 PolarHBondContact O-NH2 3.36Å; L341-R354 PolarHBondContact O-NH2 3.2Å; R346-R354 VanDerWaalsContact CZ-NE 3.33Å; R346-R354 VanDerWaalsContact NH2-CZ 3.27Å; I350-R354 HydrophobicContact CG2-CG 4.32Å; I350-R354 VanDerWaalsContact O-CG 3.32Å; I350-R354 WeakPolarHBondContact O-CG 3.46Å; I350-R354 PolarHBondContact O-N 2.83Å; E351-R354 PolarHBondContact O-N 3.08Å; R354-H356 PolarHBondContact O-N 3.23Å; R354-I357 HydrophobicContact CG-CD1 4.45Å; R354-I357 WeakPolarHBondContact O-CB 3.41Å; R354-I357 PolarHBondContact O-N 3.08Å; R354-I357 VanDerWaalsContact O-N 3.15Å; R354-C461 VanDerWaalsContact CG-SG 3.52Å
355R95.6Very high95.3Very high157 Ų15749 Ų4959%0.59224%0.236SC*.Hα-helixtrans-60.7-28.8176.1-71.4-176.8-120.4108.67.4113.2E351 N352 T353E351-R355 PolarHBondContact O-N 2.96Å; N352-R355 PolarHBondContact O-N 3.35Å; N352-R355 VanDerWaalsContact OD1-CZ 3.29Å; N352-R355 PolarHBondContact OD1-NH1 2.66Å; N352-R355 PolarHBondContact OD1-NH2 2.88Å; T353-R355 VanDerWaalsContact C-N 3.33Å; T353-R355 PolarHBondContact O-N 2.84Å
356H94.6Very high95.2Very high95 Ų9546.7 Ų46.744%0.4423%0.226SC..THydrogen-bonded Turntrans-91.5-2.4179.1-67.789000114.1N352 T353 R354 G358 S376 V444N352-H356 PolarHBondContact O-ND1 3Å; T353-H356 PolarHBondContact O-N 3.14Å; R354-H356 PolarHBondContact O-N 3.23Å; H356-G358 VanDerWaalsContact C-N 3.35Å; H356-S376 PolarHBondContact O-OG 2.89Å; H356-S376 VanDerWaalsContact O-OG 3.1Å; H356-V444 HydrophobicContact CB-CG1 4.16Å; H356-V444 HydrophobicContact CB-CG2 3.74Å
357I97.6Very high94.5Very high1 Ų146.2 Ų46.21%0.00524%0.239CC..THydrogen-bonded Turntrans-63.3-45.8171.7-60.7176.8000109.1L338 T353 R354 R359 G360 S376 F443 C461L338-I357 HydrophobicContact CD1-CD1 4.14Å; T353-I357 PolarHBondContact O-N 3.28Å; R354-I357 HydrophobicContact CG-CD1 4.45Å; R354-I357 WeakPolarHBondContact O-CB 3.41Å; R354-I357 PolarHBondContact O-N 3.08Å; R354-I357 VanDerWaalsContact O-N 3.15Å; I357-R359 PolarHBondContact O-N 3.01Å; I357-G360 WeakPolarHBondContact O-CA 3.47Å; I357-G360 PolarHBondContact O-N 3.2Å; I357-S376 WeakPolarHBondContact O-CB 3.26Å; I357-S376 PolarHBondContact O-OG 3.43Å; I357-F443 HydrophobicContact CD1-CB 4.39Å; I357-F443 HydrophobicContact CD1-CD2 4.21Å; I357-F443 HydrophobicContact CD1-CG 4.25Å; I357-F443 HydrophobicContact CG1-CB 3.9Å; I357-F443 HydrophobicContact CG1-CD1 4.41Å; I357-F443 HydrophobicContact CG1-CG 4.04Å; I357-F443 HydrophobicContact CG2-CD1 3.9Å; I357-F443 HydrophobicContact CG2-CE1 4.08Å; I357-F443 HydrophobicContact CG2-CG 4.32Å; I357-C461 HydrophobicContact CD1-CB 4.23Å
358G95.3Very high94.3Very high18 Ų1843.7 Ų43.719%0.18623%0.228CC..THydrogen-bonded Turntrans55.7-125.6178.700000111.4D324 G325 F326 H356 G360D324-G358 WeakPolarHBondContact CB-O 3.22Å; G325-G358 PolarHBondContact N-O 3.1Å; F326-G358 WeakPolarHBondContact CE2-O 3.41Å; H356-G358 VanDerWaalsContact C-N 3.35Å; G358-G360 PolarHBondContact O-N 2.82Å
359R94.7Very high94.2Very high112 Ų11241.8 Ų41.842%0.42321%0.21SC..THydrogen-bonded Turntrans-69-8.5174.5-61.8174.870.3-133.44.9114.4L322 F326 I357 V361 L375L322-R359 WeakPolarHBondContact CD1-O 3.3Å; F326-R359 HydrophobicContact CE2-CB 4.42Å; F326-R359 HydrophobicContact CE2-CG 3.93Å; F326-R359 HydrophobicContact CZ-CG 4.26Å; I357-R359 PolarHBondContact O-N 3.01Å; R359-V361 PolarHBondContact O-N 3.26Å; R359-L375 HydrophobicContact CB-CB 3.84Å; R359-L375 WeakPolarHBondContact CB-O 3.33Å; R359-L375 PolarHBondContact NH1-O 3.12Å
360G97.6Very high94.4Very high0 Ų038.8 Ų38.80%019%0.192CC..  trans61.6-127.1171.300000114.7V323 I357 G358 L375 S376V323-G360 CarbonylContact O-C 3.52Å; V323-G360 WeakPolarHBondContact O-CA 3.36Å; I357-G360 WeakPolarHBondContact O-CA 3.47Å; I357-G360 PolarHBondContact O-N 3.2Å; G358-G360 PolarHBondContact O-N 2.82Å; G360-L375 PolarHBondContact O-N 2.77Å; G360-S376 PolarHBondContact O-N 3.13Å
361V98.4Very high94.5Very high0 Ų039.6 Ų39.60%020%0.195CC..EExtended strand (participates in β ladder)trans-128.3138.1-176.362.30000110.7V323 R359 L363 A372 E373 I380 M441 F443 I463V323-V361 HydrophobicContact CB-CG1 3.88Å; V323-V361 HydrophobicContact CG2-CG1 4.4Å; V323-V361 PolarHBondContact N-O 2.8Å; V323-V361 PolarHBondContact O-N 2.74Å; R359-V361 PolarHBondContact O-N 3.26Å; V361-L363 HydrophobicContact CG2-CD2 4.07Å; V361-L363 HydrophobicContact CG2-CG 4.38Å; V361-A372 HydrophobicContact CG2-CB 4.08Å; V361-E373 WeakPolarHBondContact CA-O 3.09Å; V361-E373 WeakPolarHBondContact CG2-O 3.16Å; V361-I380 HydrophobicContact CB-CD1 3.95Å; V361-I380 HydrophobicContact CG2-CD1 3.57Å; V361-M441 HydrophobicContact CB-SD 3.97Å; V361-M441 HydrophobicContact CG1-SD 3.74Å; V361-M441 HydrophobicContact CG2-CE 4.02Å; V361-M441 HydrophobicContact CG2-SD 3.83Å; V361-F443 HydrophobicContact CB-CE1 4.37Å; V361-F443 HydrophobicContact CG1-CE1 3.91Å; V361-F443 HydrophobicContact CG1-CZ 4.08Å; V361-I463 HydrophobicContact CG1-CD1 4.42Å
362H98Very high94.7Very high40 Ų4035.4 Ų35.419%0.18518%0.175CC..EExtended strand (participates in β ladder)trans-100.4123.1167.3174.2-148.5000108.9S320 V321 L322 Y364 E373 L375S320-H362 PolarHBondContact OG-NE2 2.79Å; V321-H362 PolarHBondContact O-CD2 3.44Å; L322-H362 HydrophobicContact CD1-CB 4.31Å; H362-Y364 AromaticContact CE1-CD1 3.68Å; H362-Y364 AromaticContact ND1-CD1 3.85Å; H362-E373 HydrophobicContact CB-CB 4.38Å; H362-E373 PolarHBondContact N-O 2.73Å; H362-E373 IonicContact ND1-OE2 3.04Å; H362-E373 PolarHBondContact O-N 2.83Å; H362-L375 HydrophobicContact CB-CD1 3.62Å; H362-L375 HydrophobicContact CB-CG 4.02Å
363L97.9Very high94.9Very high0 Ų036 Ų360%018%0.177CC..EExtended strand (participates in β ladder)trans-106.4127.7176.5-62.9172.2000108.2W298 I301 V321 V323 V361 Y371 A372 I409 M441 I465W298-L363 HydrophobicContact CH2-CB 4.24Å; I301-L363 HydrophobicContact CD1-CD1 3.67Å; V321-L363 PolarHBondContact N-O 3.28Å; V321-L363 PolarHBondContact O-N 2.67Å; V323-L363 HydrophobicContact CG2-CD1 4.25Å; V361-L363 HydrophobicContact CG2-CD2 4.07Å; V361-L363 HydrophobicContact CG2-CG 4.38Å; L363-Y371 WeakPolarHBondContact CA-O 3.49Å; L363-A372 HydrophobicContact CD2-CB 3.82Å; L363-I409 HydrophobicContact CD2-CD1 4.13Å; L363-M441 HydrophobicContact CD2-CE 4Å; L363-I465 HydrophobicContact CD1-CD1 3.74Å; L363-I465 HydrophobicContact CD1-CG1 4.41Å; L363-I465 HydrophobicContact CD2-CD1 4.21Å
364Y95.3Very high95Very high51 Ų5136 Ų3620%0.218%0.176CC..EExtended strand (participates in β ladder)trans-135.7141.6175.457.9-90000112.8T319 H362 V366 V370 Y371 E373 S406T319-Y364 CarbonylContact O-C 3.49Å; T319-Y364 VanDerWaalsContact O-CA 3.23Å; T319-Y364 WeakPolarHBondContact O-CA 3.45Å; H362-Y364 AromaticContact CE1-CD1 3.68Å; H362-Y364 AromaticContact ND1-CD1 3.85Å; Y364-V366 HydrophobicContact CD2-CG2 4.04Å; Y364-V370 WeakPolarHBondContact O-CA 3.21Å; Y364-Y371 AromaticContact CD2-CD2 3.86Å; Y364-Y371 HydrophobicContact CD2-CD2 3.86Å; Y364-Y371 HydrophobicContact CD2-CG 4.11Å; Y364-Y371 HydrophobicContact CE2-CD1 4.23Å; Y364-Y371 AromaticContact CE2-CD2 3.43Å; Y364-Y371 HydrophobicContact CE2-CD2 3.43Å; Y364-Y371 VanDerWaalsContact CE2-CD2 3.43Å; Y364-Y371 HydrophobicContact CE2-CE2 4.26Å; Y364-Y371 AromaticContact CE2-CG 3.41Å; Y364-Y371 HydrophobicContact CE2-CG 3.41Å; Y364-Y371 VanDerWaalsContact CE2-CG 3.41Å; Y364-Y371 AromaticContact CZ-CG 3.66Å; Y364-Y371 PolarHBondContact N-O 3.21Å; Y364-Y371 PolarHBondContact O-N 2.56Å; Y364-E373 HydrophobicContact CE1-CB 4.32Å; Y364-S406 PolarHBondContact OH-OG 2.97Å
365Y92.4Very high94.9Very high23 Ų2335.5 Ų35.59%0.0918%0.176CC..EExtended strand (participates in β ladder)trans-110.4118.8177.2175.9-109.1000109.7E294 W298 T319 E369 V370 N412E294-Y365 VanDerWaalsContact OE1-CE1 3.3Å; E294-Y365 WeakPolarHBondContact OE1-CE1 3.2Å; E294-Y365 PolarHBondContact OE1-OH 3.32Å; W298-Y365 HydrophobicContact CD2-CG 4.49Å; T319-Y365 WeakPolarHBondContact CB-O 3.3Å; T319-Y365 HydrophobicContact CG2-CD1 4.21Å; T319-Y365 PolarHBondContact O-N 3.27Å; Y365-E369 CarbonylContact C-O 3.59Å; Y365-E369 VanDerWaalsContact CA-O 3.28Å; Y365-E369 WeakPolarHBondContact CA-O 3.36Å; Y365-E369 WeakPolarHBondContact CD2-O 3.1Å; Y365-V370 HydrophobicContact CD2-CG2 3.85Å; Y365-N412 PolarHBondContact OH-ND2 3.01Å
366V89.8Confident95Very high57 Ų5728.1 Ų28.135%0.34515%0.148SC..EExtended strand (participates in β ladder)trans-143128.4-178.2178.10000108.7Y155 Y364 G368 E369Y155-V366 HydrophobicContact CE1-CG1 3.92Å; Y155-V366 VanDerWaalsContact OH-CG1 3.3Å; Y155-V366 WeakPolarHBondContact OH-CG1 3.25Å; Y364-V366 HydrophobicContact CD2-CG2 4.04Å; V366-G368 VanDerWaalsContact C-N 3.28Å; V366-G368 PolarHBondContact O-N 3.05Å; V366-E369 PolarHBondContact N-O 2.94Å; V366-E369 WeakPolarHBondContact O-CB 3.32Å; V366-E369 PolarHBondContact O-N 3.17Å
367G83.4Confident94.9Very high47 Ų4729.7 Ų29.749%0.48516%0.16SC..THydrogen-bonded Turntrans61.227.3171.300000115.9
368G87.1Confident94.7Very high11 Ų1130.9 Ų30.911%0.11317%0.168CC..THydrogen-bonded Turntrans85.67.3-174.400000114.6V366 N412V366-G368 VanDerWaalsContact C-N 3.28Å; V366-G368 PolarHBondContact O-N 3.05Å; G368-N412 WeakPolarHBondContact O-CB 3.24Å; G368-N412 PolarHBondContact O-N 3.03Å; G368-N412 PolarHBondContact O-ND2 3.2Å
369E93.8Very high94.8Very high37 Ų3731.3 Ų31.317%0.17317%0.168CC..EExtended strand (participates in β ladder)trans-119.2145.4-178.7-53.9-169.3125.900111.3Y365 V366 Y371 K408 F410 N411Y365-E369 CarbonylContact C-O 3.59Å; Y365-E369 VanDerWaalsContact CA-O 3.28Å; Y365-E369 WeakPolarHBondContact CA-O 3.36Å; Y365-E369 WeakPolarHBondContact CD2-O 3.1Å; V366-E369 PolarHBondContact N-O 2.94Å; V366-E369 WeakPolarHBondContact O-CB 3.32Å; V366-E369 PolarHBondContact O-N 3.17Å; E369-Y371 HydrophobicContact CB-CD2 4.4Å; E369-Y371 HydrophobicContact CB-CE2 3.67Å; E369-Y371 PolarHBondContact OE2-OH 2.64Å; E369-K408 WeakPolarHBondContact OE1-CD 3.43Å; E369-K408 IonicContact OE1-NZ 2.73Å; E369-K408 PolarHBondContact OE1-NZ 3.03Å; E369-K408 IonicContact OE2-NZ 3.19Å; E369-K408 PolarHBondContact OE2-NZ 3.17Å; E369-F410 CarbonylContact C-O 3.5Å; E369-F410 WeakPolarHBondContact CA-O 3.44Å; E369-N411 HydrophobicContact CG-CB 4.46Å; E369-N411 PolarHBondContact OE1-ND2 3.04Å
370V96.3Very high95Very high4 Ų426 Ų262%0.02415%0.148CC..EExtended strand (participates in β ladder)trans-113.9131.4175.9-172.60000109.6W298 Y364 Y365 I409 F410 L467W298-V370 HydrophobicContact CE3-CG2 4.35Å; W298-V370 HydrophobicContact CH2-CG1 3.95Å; W298-V370 HydrophobicContact CZ3-CG1 3.71Å; W298-V370 HydrophobicContact CZ3-CG2 3.89Å; Y364-V370 WeakPolarHBondContact O-CA 3.21Å; Y365-V370 HydrophobicContact CD2-CG2 3.85Å; V370-I409 HydrophobicContact CB-CG1 4.14Å; V370-I409 HydrophobicContact CG1-CD1 3.87Å; V370-I409 HydrophobicContact CG1-CG1 3.87Å; V370-I409 VanDerWaalsContact O-CG1 3.28Å; V370-I409 WeakPolarHBondContact O-CG1 3.36Å; V370-I409 PolarHBondContact O-N 2.71Å; V370-F410 HydrophobicContact CB-CB 3.83Å; V370-F410 HydrophobicContact CG2-CB 3.96Å; V370-F410 PolarHBondContact N-O 3.32Å; V370-F410 PolarHBondContact O-N 3.3Å; V370-F410 VanDerWaalsContact O-N 3.09Å; V370-L467 HydrophobicContact CG2-CD1 4.42Å; V370-L467 HydrophobicContact CG2-CD2 4.13Å
371Y97.1Very high95Very high19 Ų1926.6 Ų26.68%0.07515%0.151CC..EExtended strand (participates in β ladder)trans-117.8153.4178.5-66-97.9000111.5E149 L363 Y364 E369 L407 K408E149-Y371 VanDerWaalsContact OE1-CE1 3.23Å; E149-Y371 WeakPolarHBondContact OE1-CE1 3.23Å; L363-Y371 WeakPolarHBondContact CA-O 3.49Å; Y364-Y371 AromaticContact CD2-CD2 3.86Å; Y364-Y371 HydrophobicContact CD2-CD2 3.86Å; Y364-Y371 HydrophobicContact CD2-CG 4.11Å; Y364-Y371 HydrophobicContact CE2-CD1 4.23Å; Y364-Y371 AromaticContact CE2-CD2 3.43Å; Y364-Y371 HydrophobicContact CE2-CD2 3.43Å; Y364-Y371 VanDerWaalsContact CE2-CD2 3.43Å; Y364-Y371 HydrophobicContact CE2-CE2 4.26Å; Y364-Y371 AromaticContact CE2-CG 3.41Å; Y364-Y371 HydrophobicContact CE2-CG 3.41Å; Y364-Y371 VanDerWaalsContact CE2-CG 3.41Å; Y364-Y371 AromaticContact CZ-CG 3.66Å; Y364-Y371 PolarHBondContact N-O 3.21Å; Y364-Y371 PolarHBondContact O-N 2.56Å; E369-Y371 HydrophobicContact CB-CD2 4.4Å; E369-Y371 HydrophobicContact CB-CE2 3.67Å; E369-Y371 PolarHBondContact OE2-OH 2.64Å; Y371-L407 WeakPolarHBondContact CA-O 2.91Å; Y371-K408 HydrophobicContact CD1-CB 3.97Å; Y371-K408 HydrophobicContact CD1-CG 4.29Å; Y371-K408 HydrophobicContact CE1-CB 3.69Å; Y371-K408 HydrophobicContact CE1-CD 4.38Å; Y371-K408 HydrophobicContact CE1-CG 3.84Å; Y371-K408 HydrophobicContact CE2-CG 4.48Å; Y371-K408 WeakPolarHBondContact OH-CE 3.34Å; Y371-K408 PolarHBondContact OH-NZ 2.88Å
372A98.1Very high95Very high0 Ų026.7 Ų26.70%015%0.151CC..EExtended strand (participates in β ladder)trans-126.4111.817100000110.6V361 L363 I401 S406 L407 I409 M441V361-A372 HydrophobicContact CG2-CB 4.08Å; L363-A372 HydrophobicContact CD2-CB 3.82Å; A372-I401 HydrophobicContact CB-CD1 4.11Å; A372-S406 WeakPolarHBondContact O-CA 3.46Å; A372-L407 PolarHBondContact N-O 2.91Å; A372-L407 PolarHBondContact O-N 3.45Å; A372-L407 VanDerWaalsContact O-N 3.09Å; A372-I409 HydrophobicContact CB-CD1 3.99Å; A372-I409 HydrophobicContact CB-CG1 4.32Å; A372-I409 HydrophobicContact CB-CG2 3.86Å; A372-M441 HydrophobicContact CB-CE 3.89Å
373E97.7Very high95Very high58 Ų5826.3 Ų26.327%0.27115%0.15SC..EExtended strand (participates in β ladder)trans-98.7124.7173.9-171-171.4164.800111V361 H362 Y364 L375V361-E373 WeakPolarHBondContact CA-O 3.09Å; V361-E373 WeakPolarHBondContact CG2-O 3.16Å; H362-E373 HydrophobicContact CB-CB 4.38Å; H362-E373 PolarHBondContact N-O 2.73Å; H362-E373 IonicContact ND1-OE2 3.04Å; H362-E373 PolarHBondContact O-N 2.83Å; Y364-E373 HydrophobicContact CE1-CB 4.32Å; E373-L375 HydrophobicContact CG-CD2 4.01Å; E373-L375 PolarHBondContact O-N 3.25Å; E373-L375 VanDerWaalsContact OE1-CD2 3.26Å; E373-L375 WeakPolarHBondContact OE1-CD2 3.37Å
374C97.1Very high95Very high0 Ų026.4 Ų26.40%015%0.15CC..EExtended strand (participates in β ladder)trans-81.695.4179.1-172.40000110.9S378 I380 I401 P402 R404 C405C374-S378 PolarHBondContact SG-O 2.82Å; C374-S378 VanDerWaalsContact SG-O 3.39Å; C374-I380 HydrophobicContact CB-CD1 3.79Å; C374-I380 HydrophobicContact CB-CG1 3.97Å; C374-I401 HydrophobicContact CB-CB 4.41Å; C374-I401 HydrophobicContact CB-CG2 3.75Å; C374-P402 WeakPolarHBondContact CB-O 3.5Å; C374-R404 WeakPolarHBondContact O-CA 3.31Å; C374-R404 PolarHBondContact O-N 2.96Å; C374-C405 PolarHBondContact N-O 3.22Å
375L95.5Very high95.1Very high16 Ų1627.2 Ų27.28%0.08415%0.153CC..  trans-85.5-17.9178.9-64.5-173000113.8L322 R359 G360 H362 E373L322-L375 HydrophobicContact CD1-CD1 3.72Å; R359-L375 HydrophobicContact CB-CB 3.84Å; R359-L375 WeakPolarHBondContact CB-O 3.33Å; R359-L375 PolarHBondContact NH1-O 3.12Å; G360-L375 PolarHBondContact O-N 2.77Å; H362-L375 HydrophobicContact CB-CD1 3.62Å; H362-L375 HydrophobicContact CB-CG 4.02Å; E373-L375 HydrophobicContact CG-CD2 4.01Å; E373-L375 PolarHBondContact O-N 3.25Å; E373-L375 VanDerWaalsContact OE1-CD2 3.26Å; E373-L375 WeakPolarHBondContact OE1-CD2 3.37Å
376S96.5Very high95.2Very high2 Ų226.2 Ų26.21%0.01415%0.149CC..SBendtrans-63.9151.8171.8-171.80000112H356 I357 G360 S378 S403H356-S376 PolarHBondContact O-OG 2.89Å; H356-S376 VanDerWaalsContact O-OG 3.1Å; I357-S376 WeakPolarHBondContact O-CB 3.26Å; I357-S376 PolarHBondContact O-OG 3.43Å; G360-S376 PolarHBondContact O-N 3.13Å; S376-S378 WeakPolarHBondContact CB-O 3.37Å; S376-S378 PolarHBondContact OG-N 2.83Å; S376-S378 VanDerWaalsContact OG-N 3.17Å; S376-S378 PolarHBondContact OG-O 3.09Å; S376-S403 WeakPolarHBondContact O-CB 3.43Å; S376-S403 PolarHBondContact O-OG 3.4Å
377D92.5Very high95.4Very high127 Ų12723.9 Ų23.968%0.67914%0.135SC*.SBendtrans-76.1-15.7170.1-53.6-51.1000111.7
378S95.1Very high95.9Very high27 Ų2721.6 Ų21.619%0.18911%0.112CC..SBendtrans-96.5146.7170.7-68.20000111.5C374 S376C374-S378 PolarHBondContact SG-O 2.82Å; C374-S378 VanDerWaalsContact SG-O 3.39Å; S376-S378 WeakPolarHBondContact CB-O 3.37Å; S376-S378 PolarHBondContact OG-N 2.83Å; S376-S378 VanDerWaalsContact OG-N 3.17Å; S376-S378 PolarHBondContact OG-O 3.09Å
379S96.4Very high96.1Very high26 Ų2626.5 Ų26.518%0.18213%0.128CC..  trans-63.7148.7175.8-49.80000112.6F381 K400 I401 V444S379-F381 WeakPolarHBondContact O-CE2 3.16Å; S379-K400 WeakPolarHBondContact OG-CE 3.32Å; S379-I401 WeakPolarHBondContact CA-O 3.36Å; S379-I401 WeakPolarHBondContact CB-O 3.21Å; S379-V444 WeakPolarHBondContact O-CA 3.27Å; S379-V444 PolarHBondContact O-N 2.84Å
380I98.3Very high95.9Very high1 Ų129 Ų291%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-105158165.763.1-175.3000109.6V361 C374 I401 M441 S442 F443V361-I380 HydrophobicContact CB-CD1 3.95Å; V361-I380 HydrophobicContact CG2-CD1 3.57Å; C374-I380 HydrophobicContact CB-CD1 3.79Å; C374-I380 HydrophobicContact CB-CG1 3.97Å; I380-I401 HydrophobicContact CD1-CB 4.29Å; I380-I401 HydrophobicContact CD1-CD1 4.06Å; I380-I401 HydrophobicContact CG1-CB 3.72Å; I380-I401 HydrophobicContact CG1-CD1 4.14Å; I380-I401 HydrophobicContact CG1-CG1 4.3Å; I380-I401 HydrophobicContact CG1-CG2 4.43Å; I380-I401 PolarHBondContact N-O 3.37Å; I380-I401 VanDerWaalsContact N-O 3.1Å; I380-I401 PolarHBondContact O-N 3.46Å; I380-M441 HydrophobicContact CB-CG 4.31Å; I380-M441 HydrophobicContact CB-SD 4.32Å; I380-M441 HydrophobicContact CD1-CE 4.47Å; I380-M441 HydrophobicContact CD1-SD 3.84Å; I380-M441 HydrophobicContact CG1-SD 4.47Å; I380-S442 WeakPolarHBondContact CA-O 3.5Å; I380-F443 HydrophobicContact CG2-CD1 3.8Å; I380-F443 HydrophobicContact CG2-CE1 4.29Å
381F98.4Very high95.2Very high12 Ų1230.9 Ų30.95%0.05315%0.148CC..EExtended strand (participates in β ladder)trans-130.7125.3-174.5-59.4-95000108.2S379 V398 C399 K400 M441 S442 G446 W447 Y451S379-F381 WeakPolarHBondContact O-CE2 3.16Å; F381-V398 HydrophobicContact CB-CG1 3.83Å; F381-C399 CarbonylContact C-O 3.56Å; F381-C399 WeakPolarHBondContact CA-O 3.13Å; F381-K400 HydrophobicContact CD1-CB 3.99Å; F381-K400 HydrophobicContact CD1-CG 4.07Å; F381-K400 HydrophobicContact CE1-CB 3.98Å; F381-K400 HydrophobicContact CE1-CD 3.94Å; F381-K400 HydrophobicContact CE1-CG 3.65Å; F381-K400 HydrophobicContact CZ-CD 4.44Å; F381-K400 HydrophobicContact CZ-CG 4.24Å; F381-M441 CarbonylContact O-C 3.53Å; F381-M441 WeakPolarHBondContact O-CA 3.4Å; F381-S442 PolarHBondContact N-O 2.74Å; F381-S442 PolarHBondContact O-N 2.85Å; F381-G446 VanDerWaalsContact CD1-CA 3.49Å; F381-G446 VanDerWaalsContact CG-CA 3.46Å; F381-W447 HydrophobicContact CB-CE3 4.14Å; F381-W447 HydrophobicContact CB-CZ3 3.72Å; F381-W447 WeakPolarHBondContact O-CH2 3.37Å; F381-W447 VanDerWaalsContact O-CZ3 3.25Å; F381-W447 WeakPolarHBondContact O-CZ3 3.08Å; F381-Y451 HydrophobicContact CD1-CE1 4.31Å; F381-Y451 AromaticContact CD1-CZ 3.94Å; F381-Y451 AromaticContact CE1-CE1 3.74Å; F381-Y451 HydrophobicContact CE1-CE1 3.74Å; F381-Y451 AromaticContact CE1-CZ 3.69Å; F381-Y451 WeakPolarHBondContact CE1-OH 3.46Å; F381-Y451 HydrophobicContact CZ-CE1 4.49Å
382V98.3Very high94.8Very high2 Ų237.1 Ų37.11%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-124.2130.7-168.7-175.20000111.3V398 C399 I401 I409 I439 R440 M441V382-V398 CarbonylContact O-C 3.55Å; V382-V398 WeakPolarHBondContact O-CA 3.32Å; V382-C399 PolarHBondContact N-O 3.46Å; V382-C399 PolarHBondContact O-N 3.22Å; V382-I401 HydrophobicContact CB-CD1 4.47Å; V382-I401 HydrophobicContact CG2-CD1 3.54Å; V382-I401 HydrophobicContact CG2-CG1 4.24Å; V382-I409 HydrophobicContact CG1-CG2 3.96Å; V382-I439 HydrophobicContact CG1-CG2 3.74Å; V382-R440 CarbonylContact C-O 3.39Å; V382-R440 WeakPolarHBondContact CA-O 3.44Å; V382-M441 HydrophobicContact CG2-CB 4.37Å; V382-M441 HydrophobicContact CG2-CE 3.8Å; V382-M441 HydrophobicContact CG2-CG 3.96Å; V382-M441 HydrophobicContact CG2-SD 4.39Å
383Q98.1Very high94.3Very high33 Ų3339.4 Ų39.415%0.15419%0.193CC..EExtended strand (participates in β ladder)trans-111.9101.8166.4-179178.579.900107.9T396 V398 R440 W447Q383-T396 PolarHBondContact NE2-O 3.39Å; Q383-V398 HydrophobicContact CB-CG2 4.34Å; Q383-R440 HydrophobicContact CB-CB 4.41Å; Q383-R440 PolarHBondContact N-O 2.89Å; Q383-R440 PolarHBondContact O-N 3.11Å; Q383-W447 HydrophobicContact CB-CH2 4.15Å; Q383-W447 HydrophobicContact CB-CZ2 3.61Å
384S98Very high94.1Very high1 Ų142.1 Ų42.11%0.00721%0.205CC..  trans-118.6123.2167.6168.60000108.2N386 C387 N388 I409S384-N386 VanDerWaalsContact C-N 3.31Å; S384-N386 PolarHBondContact O-N 3.14Å; S384-N386 PolarHBondContact OG-N 2.88Å; S384-C387 PolarHBondContact OG-N 2.7Å; S384-N388 WeakPolarHBondContact O-CB 3.47Å; S384-N388 PolarHBondContact O-N 2.66Å; S384-N388 PolarHBondContact O-ND2 3.07Å; S384-I409 VanDerWaalsContact CB-O 3.24Å; S384-I409 WeakPolarHBondContact CB-O 2.96Å; S384-I409 PolarHBondContact OG-O 3.05Å
385R96.3Very high93.7Very high68 Ų6844.9 Ų44.926%0.25722%0.223SC..Hα-helixtrans-68-32.2178.7-63.9-168.6174.5-160.7-7112.4N388 Y389 E432 K435 M436R385-N388 PolarHBondContact O-N 2.81Å; R385-Y389 WeakPolarHBondContact O-CB 3.48Å; R385-Y389 PolarHBondContact O-N 2.86Å; R385-E432 IonicContact NH1-OE2 2.68Å; R385-K435 VanDerWaalsContact CD-O 3.31Å; R385-K435 WeakPolarHBondContact CD-O 3.5Å; R385-K435 VanDerWaalsContact CZ-CB 3.42Å; R385-M436 HydrophobicContact CB-CE 4.36Å; R385-M436 HydrophobicContact CB-CG 4.48Å; R385-M436 HydrophobicContact CB-SD 3.32Å; R385-M436 WeakPolarHBondContact CB-SD 3.49Å; R385-M436 HydrophobicContact CG-SD 4.37Å
386N96Very high93.6Very high3 Ų347.7 Ų47.72%0.01624%0.241CC..Hα-helixtrans-64.9-52.8175.3173-101.2000110.6S384 N388 Y389 H390 F410 N411 E414 M436S384-N386 VanDerWaalsContact C-N 3.31Å; S384-N386 PolarHBondContact O-N 3.14Å; S384-N386 PolarHBondContact OG-N 2.88Å; N386-N388 VanDerWaalsContact C-N 3.28Å; N386-N388 PolarHBondContact O-N 3.33Å; N386-Y389 WeakPolarHBondContact O-CB 3.46Å; N386-Y389 PolarHBondContact O-N 2.94Å; N386-Y389 VanDerWaalsContact O-N 3.1Å; N386-H390 PolarHBondContact O-N 2.94Å; N386-F410 HydrophobicContact CB-CD2 3.55Å; N386-F410 HydrophobicContact CB-CE2 3.68Å; N386-F410 HydrophobicContact CB-CG 4.39Å; N386-F410 WeakPolarHBondContact OD1-CA 3.38Å; N386-N411 PolarHBondContact OD1-N 3.26Å; N386-E414 PolarHBondContact ND2-OE2 3Å; N386-E414 PolarHBondContact OD1-OE2 3.41Å; N386-M436 HydrophobicContact CB-CE 3.95Å
387C93.3Very high93.4Very high7 Ų749.2 Ų49.25%0.04725%0.25CS..Hα-helixtrans-57.5-39.3173.6-178.90000112.8S384 H391S384-C387 PolarHBondContact OG-N 2.7Å; C387-H391 PolarHBondContact O-N 3.31Å; C387-H391 PolarHBondContact O-ND1 3Å
388N93.4Very high93.6Very high0 Ų043.9 Ų43.90%022%0.222CC..Hα-helixtrans-66.1-41.5176.7-72.6-20.8000111.8S384 R385 N386 H391 N392 F393 H394 P395 T397S384-N388 WeakPolarHBondContact O-CB 3.47Å; S384-N388 PolarHBondContact O-N 2.66Å; S384-N388 PolarHBondContact O-ND2 3.07Å; R385-N388 PolarHBondContact O-N 2.81Å; N386-N388 VanDerWaalsContact C-N 3.28Å; N386-N388 PolarHBondContact O-N 3.33Å; N388-H391 PolarHBondContact O-N 3.34Å; N388-N392 PolarHBondContact O-N 3.24Å; N388-F393 HydrophobicContact CB-CB 4.25Å; N388-F393 PolarHBondContact O-N 3.33Å; N388-H394 PolarHBondContact ND2-O 2.79Å; N388-P395 PolarHBondContact ND2-O 2.87Å; N388-T397 PolarHBondContact ND2-N 3.45Å; N388-T397 PolarHBondContact ND2-O 3.37Å
389Y91.6Very high93.5Very high113 Ų11342.9 Ų42.944%0.44322%0.215SC..Hα-helixtrans-60.8-49.6176.1178.6-92.6000111.4R385 N386 H391 N392 E414 L418R385-Y389 WeakPolarHBondContact O-CB 3.48Å; R385-Y389 PolarHBondContact O-N 2.86Å; N386-Y389 WeakPolarHBondContact O-CB 3.46Å; N386-Y389 PolarHBondContact O-N 2.94Å; N386-Y389 VanDerWaalsContact O-N 3.1Å; Y389-H391 PolarHBondContact O-N 3.29Å; Y389-N392 PolarHBondContact O-N 2.96Å; Y389-E414 HydrophobicContact CD1-CG 4.21Å; Y389-E414 HydrophobicContact CE1-CG 4.41Å; Y389-L418 HydrophobicContact CD1-CD1 3.89Å; Y389-L418 HydrophobicContact CD2-CD1 4.48Å; Y389-L418 HydrophobicContact CD2-CD2 4.44Å; Y389-L418 HydrophobicContact CE1-CD1 4.02Å; Y389-L418 HydrophobicContact CE1-CD2 3.98Å; Y389-L418 HydrophobicContact CE1-CG 4.16Å; Y389-L418 HydrophobicContact CE2-CD2 3.85Å; Y389-L418 HydrophobicContact CG-CD1 4.13Å
390H89.8Confident93.4Very high90 Ų9045.6 Ų45.642%0.41722%0.223SC..Hα-helixtrans-51.5-42.6179-165.771.8000113.2Y145 N386 N392 E414Y145-H390 PolarHBondContact OH-CD2 3.29Å; Y145-H390 PolarHBondContact OH-NE2 2.86Å; N386-H390 PolarHBondContact O-N 2.94Å; H390-N392 VanDerWaalsContact C-N 3.35Å; H390-E414 VanDerWaalsContact CA-OE1 3.26Å; H390-E414 WeakPolarHBondContact CA-OE1 3.4Å; H390-E414 VanDerWaalsContact CB-OE1 3.31Å; H390-E414 WeakPolarHBondContact CB-OE1 3.4Å; H390-E414 IonicContact CE1-OE1 2.68Å; H390-E414 IonicContact CG-OE1 3.3Å; H390-E414 IonicContact CG-OE2 3.78Å; H390-E414 IonicContact ND1-OE1 3.06Å; H390-E414 PolarHBondContact ND1-OE1 3.04Å; H390-E414 IonicContact ND1-OE2 3.66Å
391H82.4Confident93.2Very high44 Ų4445.5 Ų45.520%0.20422%0.223CC..THydrogen-bonded Turntrans-90.77.5-178.9-63.191000114Y145 C387 N388 Y389 F393Y145-H391 AromaticContact CE2-NE2 3.12Å; Y145-H391 WeakPolarHBondContact CE2-NE2 3.32Å; Y145-H391 AromaticContact CZ-NE2 3.39Å; Y145-H391 PolarHBondContact OH-NE2 2.9Å; C387-H391 PolarHBondContact O-N 3.31Å; C387-H391 PolarHBondContact O-ND1 3Å; N388-H391 PolarHBondContact O-N 3.34Å; Y389-H391 PolarHBondContact O-N 3.29Å; H391-F393 HydrophobicContact CB-CD1 4.49Å; H391-F393 HydrophobicContact CB-CD2 3.42Å; H391-F393 VanDerWaalsContact CB-CD2 3.42Å; H391-F393 HydrophobicContact CB-CE1 4.38Å; H391-F393 HydrophobicContact CB-CE2 3.24Å; H391-F393 HydrophobicContact CB-CG 4.05Å; H391-F393 HydrophobicContact CB-CZ 3.78Å; H391-F393 AromaticContact CG-CE2 3.85Å; H391-F393 PolarHBondContact O-N 3.46Å
392N88.4Confident92.9Very high150 Ų15047.3 Ų47.380%0.80224%0.236SC*.THydrogen-bonded Turntrans56.829.1-175.7-62.1-91.6000114N388 Y389 H390N388-N392 PolarHBondContact O-N 3.24Å; Y389-N392 PolarHBondContact O-N 2.96Å; H390-N392 VanDerWaalsContact C-N 3.35Å
393F88.3Confident92.6Very high48 Ų4849 Ų4921%0.21125%0.248CC..  trans-84.4160.3173.4-59.8-38.8000111.8Y138 N388 H391 T397Y138-F393 HydrophobicContact CD1-CE2 4.05Å; Y138-F393 HydrophobicContact CD1-CZ 4.36Å; Y138-F393 AromaticContact CE1-CD2 3.87Å; Y138-F393 HydrophobicContact CE1-CD2 3.87Å; Y138-F393 AromaticContact CE1-CE2 3.16Å; Y138-F393 HydrophobicContact CE1-CE2 3.16Å; Y138-F393 AromaticContact CE1-CZ 3.64Å; Y138-F393 HydrophobicContact CE1-CZ 3.64Å; Y138-F393 HydrophobicContact CE2-CE2 4.38Å; Y138-F393 HydrophobicContact CE2-CZ 4.07Å; Y138-F393 AromaticContact CZ-CD2 3.93Å; Y138-F393 AromaticContact CZ-CE2 3.36Å; Y138-F393 AromaticContact CZ-CZ 3.45Å; Y138-F393 VanDerWaalsContact CZ-CZ 3.45Å; Y138-F393 WeakPolarHBondContact OH-CD2 3.5Å; Y138-F393 VanDerWaalsContact OH-CE2 3.26Å; Y138-F393 WeakPolarHBondContact OH-CE2 3.21Å; Y138-F393 WeakPolarHBondContact OH-CZ 3.21Å; N388-F393 HydrophobicContact CB-CB 4.25Å; N388-F393 PolarHBondContact O-N 3.33Å; H391-F393 HydrophobicContact CB-CD1 4.49Å; H391-F393 HydrophobicContact CB-CD2 3.42Å; H391-F393 VanDerWaalsContact CB-CD2 3.42Å; H391-F393 HydrophobicContact CB-CE1 4.38Å; H391-F393 HydrophobicContact CB-CE2 3.24Å; H391-F393 HydrophobicContact CB-CG 4.05Å; H391-F393 HydrophobicContact CB-CZ 3.78Å; H391-F393 AromaticContact CG-CE2 3.85Å; H391-F393 PolarHBondContact O-N 3.46Å; F393-T397 HydrophobicContact CB-CG2 4.18Å; F393-T397 HydrophobicContact CD2-CG2 4.46Å; F393-T397 HydrophobicContact CG-CG2 4.43Å
394H91.6Very high92.1Very high114 Ų11454.7 Ų54.753%0.52827%0.268SS..  trans-58138.6172.7-169.9-99.2000110.6N388 T396 T397N388-H394 PolarHBondContact ND2-O 2.79Å; H394-T396 PolarHBondContact CE1-OG1 3.41Å; H394-T396 VanDerWaalsContact CE1-OG1 3.27Å; H394-T396 PolarHBondContact ND1-N 3.08Å; H394-T396 PolarHBondContact ND1-OG1 2.89Å; H394-T396 PolarHBondContact O-N 3.21Å; H394-T397 WeakPolarHBondContact O-CB 3.36Å; H394-T397 PolarHBondContact O-N 2.9Å; H394-T397 PolarHBondContact O-OG1 2.94Å
395P90.1Very high91.8Very high59 Ų5956.1 Ų56.138%0.38328%0.278SS..THydrogen-bonded Turntrans-57.8-25.1-173.4-29.336.2000115.2N388N388-P395 PolarHBondContact ND2-O 2.87Å
396T92.6Very high91.6Very high74 Ų7454 Ų5445%0.45427%0.273SS..THydrogen-bonded Turntrans-92.13.4177.4650000114.7Q383 H394Q383-T396 PolarHBondContact NE2-O 3.39Å; H394-T396 PolarHBondContact CE1-OG1 3.41Å; H394-T396 VanDerWaalsContact CE1-OG1 3.27Å; H394-T396 PolarHBondContact ND1-N 3.08Å; H394-T396 PolarHBondContact ND1-OG1 2.89Å; H394-T396 PolarHBondContact O-N 3.21Å
397T92.4Very high91.4Very high35 Ų3554.6 Ų54.622%0.21528%0.276CS..  trans-56145.4176.1-69.30000111.6Y138 N388 F393 H394Y138-T397 WeakPolarHBondContact OH-CG2 3.45Å; N388-T397 PolarHBondContact ND2-N 3.45Å; N388-T397 PolarHBondContact ND2-O 3.37Å; F393-T397 HydrophobicContact CB-CG2 4.18Å; F393-T397 HydrophobicContact CD2-CG2 4.46Å; F393-T397 HydrophobicContact CG-CG2 4.43Å; H394-T397 WeakPolarHBondContact O-CB 3.36Å; H394-T397 PolarHBondContact O-N 2.9Å; H394-T397 PolarHBondContact O-OG1 2.94Å
398V96.7Very high91.5Very high15 Ų1556.8 Ų56.89%0.09129%0.285CS..  trans-117.9107.8-179.9-176.80000108.4F381 V382 Q383 W447F381-V398 HydrophobicContact CB-CG1 3.83Å; V382-V398 CarbonylContact O-C 3.55Å; V382-V398 WeakPolarHBondContact O-CA 3.32Å; Q383-V398 HydrophobicContact CB-CG2 4.34Å; V398-W447 WeakPolarHBondContact CB-O 3.24Å; V398-W447 HydrophobicContact CG1-CD2 4.05Å; V398-W447 HydrophobicContact CG1-CE3 3.83Å; V398-W447 HydrophobicContact CG1-CH2 3.86Å; V398-W447 HydrophobicContact CG1-CZ2 4.09Å; V398-W447 HydrophobicContact CG1-CZ3 3.71Å; V398-W447 HydrophobicContact CG2-CD2 3.99Å; V398-W447 HydrophobicContact CG2-CG 4.33Å; V398-W447 HydrophobicContact CG2-CH2 4.49Å; V398-W447 HydrophobicContact CG2-CZ2 3.88Å; V398-W447 VanDerWaalsContact CG2-O 3.3Å; V398-W447 WeakPolarHBondContact CG2-O 3.5Å
399C93.4Very high91.7Very high5 Ų556.8 Ų56.83%0.03429%0.285CS..EExtended strand (participates in β ladder)trans-79.1129.8179.7-59.20000110Y138 F381 V382 L407Y138-C399 HydrophobicContact CD1-CB 4.48Å; Y138-C399 HydrophobicContact CE1-CB 4.23Å; F381-C399 CarbonylContact C-O 3.56Å; F381-C399 WeakPolarHBondContact CA-O 3.13Å; V382-C399 PolarHBondContact N-O 3.46Å; V382-C399 PolarHBondContact O-N 3.22Å; C399-L407 HydrophobicContact CB-CD2 4Å
400K94.9Very high92Very high83 Ų8351.4 Ų51.436%0.36126%0.264SS..EExtended strand (participates in β ladder)trans-87.2128.3172.4179.6-175.8176.8-169.90109.5S379 F381S379-K400 WeakPolarHBondContact OG-CE 3.32Å; F381-K400 HydrophobicContact CD1-CB 3.99Å; F381-K400 HydrophobicContact CD1-CG 4.07Å; F381-K400 HydrophobicContact CE1-CB 3.98Å; F381-K400 HydrophobicContact CE1-CD 3.94Å; F381-K400 HydrophobicContact CE1-CG 3.65Å; F381-K400 HydrophobicContact CZ-CD 4.44Å; F381-K400 HydrophobicContact CZ-CG 4.24Å
401I94.4Very high92.2Very high0 Ų048.8 Ų48.80%025%0.253CS..EExtended strand (participates in β ladder)trans-108.2108.4170.8-49.6174.4000107.7A372 C374 S379 I380 V382 C405 L407A372-I401 HydrophobicContact CB-CD1 4.11Å; C374-I401 HydrophobicContact CB-CB 4.41Å; C374-I401 HydrophobicContact CB-CG2 3.75Å; S379-I401 WeakPolarHBondContact CA-O 3.36Å; S379-I401 WeakPolarHBondContact CB-O 3.21Å; I380-I401 HydrophobicContact CD1-CB 4.29Å; I380-I401 HydrophobicContact CD1-CD1 4.06Å; I380-I401 HydrophobicContact CG1-CB 3.72Å; I380-I401 HydrophobicContact CG1-CD1 4.14Å; I380-I401 HydrophobicContact CG1-CG1 4.3Å; I380-I401 HydrophobicContact CG1-CG2 4.43Å; I380-I401 PolarHBondContact N-O 3.37Å; I380-I401 VanDerWaalsContact N-O 3.1Å; I380-I401 PolarHBondContact O-N 3.46Å; V382-I401 HydrophobicContact CB-CD1 4.47Å; V382-I401 HydrophobicContact CG2-CD1 3.54Å; V382-I401 HydrophobicContact CG2-CG1 4.24Å; I401-C405 HydrophobicContact CG2-CB 3.77Å; I401-C405 VanDerWaalsContact CG2-O 3.31Å; I401-C405 WeakPolarHBondContact CG2-O 3.35Å; I401-L407 HydrophobicContact CD1-CB 3.7Å; I401-L407 HydrophobicContact CD1-CD2 4.02Å; I401-L407 HydrophobicContact CD1-CG 4.47Å; I401-L407 HydrophobicContact CG1-CB 4.03Å; I401-L407 HydrophobicContact CG1-CD2 4.01Å
402P92Very high92.7Very high49 Ų4946.9 Ų46.932%0.31824%0.244SC..  trans-62165.5174.9-21.433.4000112.7C374 R404 C405C374-P402 WeakPolarHBondContact CB-O 3.5Å; P402-R404 PolarHBondContact O-N 2.89Å; P402-C405 WeakPolarHBondContact O-CB 3.26Å; P402-C405 PolarHBondContact O-N 3.12Å
403S91.6Very high92.8Very high39 Ų3942.9 Ų42.927%0.27322%0.221SC..THydrogen-bonded Turntrans-57.3137.3173.6-1740000110.7S376 C405S376-S403 WeakPolarHBondContact O-CB 3.43Å; S376-S403 PolarHBondContact O-OG 3.4Å; S403-C405 PolarHBondContact O-N 3.41Å
404R87.4Confident92.9Very high152 Ų15241.9 Ų41.957%0.57422%0.217SC*.THydrogen-bonded Turntrans64.413.7-177.7-43.2-53.4-179.487.25.2115.5C374 P402C374-R404 WeakPolarHBondContact O-CA 3.31Å; C374-R404 PolarHBondContact O-N 2.96Å; P402-R404 PolarHBondContact O-N 2.89Å
405C90.4Very high93Very high30 Ų3036.5 Ų36.520%0.20319%0.192CC..  trans-95.2149.2167.9-63.90000111C374 I401 P402 S403C374-C405 PolarHBondContact N-O 3.22Å; I401-C405 HydrophobicContact CG2-CB 3.77Å; I401-C405 VanDerWaalsContact CG2-O 3.31Å; I401-C405 WeakPolarHBondContact CG2-O 3.35Å; P402-C405 WeakPolarHBondContact O-CB 3.26Å; P402-C405 PolarHBondContact O-N 3.12Å; S403-C405 PolarHBondContact O-N 3.41Å
406S92.4Very high93.1Very high23 Ų2333.9 Ų33.916%0.16118%0.175CC..EExtended strand (participates in β ladder)trans-113.2151.1167.3-171.50000109.6Y364 A372Y364-S406 PolarHBondContact OH-OG 2.97Å; A372-S406 WeakPolarHBondContact O-CA 3.46Å
407L92.7Very high92.9Very high17 Ų1735 Ų359%0.08918%0.175CC..EExtended strand (participates in β ladder)trans-138.2136.5173.2175.162.7000109.2L142 Y371 A372 C399 I401 I409L142-L407 HydrophobicContact CD2-CB 4.3Å; L142-L407 HydrophobicContact CD2-CD1 3.88Å; Y371-L407 WeakPolarHBondContact CA-O 2.91Å; A372-L407 PolarHBondContact N-O 2.91Å; A372-L407 PolarHBondContact O-N 3.45Å; A372-L407 VanDerWaalsContact O-N 3.09Å; C399-L407 HydrophobicContact CB-CD2 4Å; I401-L407 HydrophobicContact CD1-CB 3.7Å; I401-L407 HydrophobicContact CD1-CD2 4.02Å; I401-L407 HydrophobicContact CD1-CG 4.47Å; I401-L407 HydrophobicContact CG1-CB 4.03Å; I401-L407 HydrophobicContact CG1-CD2 4.01Å; L407-I409 HydrophobicContact CB-CG2 4.45Å; L407-I409 HydrophobicContact CD2-CG2 4.28Å; L407-I409 HydrophobicContact CG-CG2 4.16Å; L407-I409 PolarHBondContact O-N 3.1Å
408K95.6Very high92.9Very high52 Ų5234.2 Ų34.223%0.22617%0.17CC..EExtended strand (participates in β ladder)trans-70.4111.1166.4-164.8-179.3-49.4-1420108.8E369 Y371E369-K408 WeakPolarHBondContact OE1-CD 3.43Å; E369-K408 IonicContact OE1-NZ 2.73Å; E369-K408 PolarHBondContact OE1-NZ 3.03Å; E369-K408 IonicContact OE2-NZ 3.19Å; E369-K408 PolarHBondContact OE2-NZ 3.17Å; Y371-K408 HydrophobicContact CD1-CB 3.97Å; Y371-K408 HydrophobicContact CD1-CG 4.29Å; Y371-K408 HydrophobicContact CE1-CB 3.69Å; Y371-K408 HydrophobicContact CE1-CD 4.38Å; Y371-K408 HydrophobicContact CE1-CG 3.84Å; Y371-K408 HydrophobicContact CE2-CG 4.48Å; Y371-K408 WeakPolarHBondContact OH-CE 3.34Å; Y371-K408 PolarHBondContact OH-NZ 2.88Å
409I97.1Very high92.7Very high1 Ų133.5 Ų33.51%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-101.2-15.9-17559.3162000113.1L363 V370 A372 V382 S384 L407 I439L363-I409 HydrophobicContact CD2-CD1 4.13Å; V370-I409 HydrophobicContact CB-CG1 4.14Å; V370-I409 HydrophobicContact CG1-CD1 3.87Å; V370-I409 HydrophobicContact CG1-CG1 3.87Å; V370-I409 VanDerWaalsContact O-CG1 3.28Å; V370-I409 WeakPolarHBondContact O-CG1 3.36Å; V370-I409 PolarHBondContact O-N 2.71Å; A372-I409 HydrophobicContact CB-CD1 3.99Å; A372-I409 HydrophobicContact CB-CG1 4.32Å; A372-I409 HydrophobicContact CB-CG2 3.86Å; V382-I409 HydrophobicContact CG1-CG2 3.96Å; S384-I409 VanDerWaalsContact CB-O 3.24Å; S384-I409 WeakPolarHBondContact CB-O 2.96Å; S384-I409 PolarHBondContact OG-O 3.05Å; L407-I409 HydrophobicContact CB-CG2 4.45Å; L407-I409 HydrophobicContact CD2-CG2 4.28Å; L407-I409 HydrophobicContact CG-CG2 4.16Å; L407-I409 PolarHBondContact O-N 3.1Å; I409-I439 HydrophobicContact CB-CD1 4.32Å; I409-I439 HydrophobicContact CD1-CD1 3.95Å; I409-I439 HydrophobicContact CD1-CG2 4.32Å; I409-I439 HydrophobicContact CG1-CD1 4.22Å
410F97.5Very high92.5Very high0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-151.6146.1172.7-158.6-94.1000112.5E369 V370 N386 N412 F415 M436 I439 L467 P470E369-F410 CarbonylContact C-O 3.5Å; E369-F410 WeakPolarHBondContact CA-O 3.44Å; V370-F410 HydrophobicContact CB-CB 3.83Å; V370-F410 HydrophobicContact CG2-CB 3.96Å; V370-F410 PolarHBondContact N-O 3.32Å; V370-F410 PolarHBondContact O-N 3.3Å; V370-F410 VanDerWaalsContact O-N 3.09Å; N386-F410 HydrophobicContact CB-CD2 3.55Å; N386-F410 HydrophobicContact CB-CE2 3.68Å; N386-F410 HydrophobicContact CB-CG 4.39Å; N386-F410 WeakPolarHBondContact OD1-CA 3.38Å; F410-N412 VanDerWaalsContact CE1-OD1 3.28Å; F410-N412 WeakPolarHBondContact CE1-OD1 3.34Å; F410-F415 HydrophobicContact CE1-CB 3.95Å; F410-F415 HydrophobicContact CE1-CG 4.34Å; F410-F415 HydrophobicContact CZ-CB 3.7Å; F410-F415 AromaticContact CZ-CD2 3.88Å; F410-F415 HydrophobicContact CZ-CD2 3.88Å; F410-F415 AromaticContact CZ-CG 3.78Å; F410-F415 HydrophobicContact CZ-CG 3.78Å; F410-M436 WeakPolarHBondContact CE2-O 3.43Å; F410-I439 HydrophobicContact CB-CD1 4.14Å; F410-I439 HydrophobicContact CD2-CD1 4.22Å; F410-L467 HydrophobicContact CB-CD1 3.79Å; F410-L467 HydrophobicContact CD1-CD1 3.67Å; F410-L467 HydrophobicContact CD2-CD1 3.36Å; F410-L467 HydrophobicContact CE1-CD1 4.04Å; F410-L467 HydrophobicContact CE2-CD1 3.75Å; F410-L467 HydrophobicContact CG-CD1 3.31Å; F410-L467 HydrophobicContact CZ-CD1 4.06Å; F410-P470 HydrophobicContact CD1-CG 4.47Å; F410-P470 HydrophobicContact CE1-CB 4.34Å; F410-P470 HydrophobicContact CE1-CG 3.52Å; F410-P470 HydrophobicContact CZ-CB 4Å; F410-P470 HydrophobicContact CZ-CG 3.67Å
411N94.6Very high92.2Very high34 Ų3436 Ų3618%0.18219%0.185CC..EExtended strand (participates in β ladder)trans-133.1124168.9174.8-60000110.3E369 N386 Q413 E414 F415E369-N411 HydrophobicContact CG-CB 4.46Å; E369-N411 PolarHBondContact OE1-ND2 3.04Å; N386-N411 PolarHBondContact OD1-N 3.26Å; N411-Q413 WeakPolarHBondContact OD1-CA 3.36Å; N411-Q413 VanDerWaalsContact OD1-CB 3.31Å; N411-Q413 WeakPolarHBondContact OD1-CB 3.42Å; N411-Q413 PolarHBondContact OD1-N 3.11Å; N411-E414 HydrophobicContact CB-CB 4.38Å; N411-E414 PolarHBondContact OD1-N 3.17Å; N411-F415 PolarHBondContact O-N 3.39Å
412N92.1Very high92Very high4 Ų437 Ų372%0.02119%0.191CC..Hα-helixtrans-68.9-30.9-178.1-78.4-17.5000113.9L160 Y292 Y365 G368 F410 F415 A416L160-N412 HydrophobicContact CD1-CB 3.85Å; L160-N412 HydrophobicContact CD2-CB 4.28Å; Y292-N412 PolarHBondContact OH-ND2 3.48Å; Y365-N412 PolarHBondContact OH-ND2 3.01Å; G368-N412 WeakPolarHBondContact O-CB 3.24Å; G368-N412 PolarHBondContact O-N 3.03Å; G368-N412 PolarHBondContact O-ND2 3.2Å; F410-N412 VanDerWaalsContact CE1-OD1 3.28Å; F410-N412 WeakPolarHBondContact CE1-OD1 3.34Å; N412-F415 PolarHBondContact O-N 2.86Å; N412-A416 WeakPolarHBondContact O-CB 3.3Å; N412-A416 PolarHBondContact O-N 2.92Å
413Q90.2Very high91.9Very high66 Ų6635 Ų3531%0.30818%0.179SC..Hα-helixtrans-68.5-44.9179.8177.563.938.800110.7L160 N411 F415 A416 E417L160-Q413 HydrophobicContact CD2-CB 4.08Å; N411-Q413 WeakPolarHBondContact OD1-CA 3.36Å; N411-Q413 VanDerWaalsContact OD1-CB 3.31Å; N411-Q413 WeakPolarHBondContact OD1-CB 3.42Å; N411-Q413 PolarHBondContact OD1-N 3.11Å; Q413-F415 VanDerWaalsContact C-N 3.33Å; Q413-F415 PolarHBondContact O-N 2.85Å; Q413-A416 WeakPolarHBondContact O-CB 3.39Å; Q413-A416 PolarHBondContact O-N 2.91Å; Q413-E417 PolarHBondContact NE2-OE1 2.94Å; Q413-E417 WeakPolarHBondContact O-CG 3.37Å; Q413-E417 PolarHBondContact O-N 3.34Å
414E91.2Very high91.6Very high28 Ų2838.7 Ų38.713%0.13120%0.195CC..Hα-helixtrans-64.2-37.7174.3-177176.1-126.800111.9N386 Y389 H390 N411 L418N386-E414 PolarHBondContact ND2-OE2 3Å; N386-E414 PolarHBondContact OD1-OE2 3.41Å; Y389-E414 HydrophobicContact CD1-CG 4.21Å; Y389-E414 HydrophobicContact CE1-CG 4.41Å; H390-E414 VanDerWaalsContact CA-OE1 3.26Å; H390-E414 WeakPolarHBondContact CA-OE1 3.4Å; H390-E414 VanDerWaalsContact CB-OE1 3.31Å; H390-E414 WeakPolarHBondContact CB-OE1 3.4Å; H390-E414 IonicContact CE1-OE1 2.68Å; H390-E414 IonicContact CG-OE1 3.3Å; H390-E414 IonicContact CG-OE2 3.78Å; H390-E414 IonicContact ND1-OE1 3.06Å; H390-E414 PolarHBondContact ND1-OE1 3.04Å; H390-E414 IonicContact ND1-OE2 3.66Å; N411-E414 HydrophobicContact CB-CB 4.38Å; N411-E414 PolarHBondContact OD1-N 3.17Å; E414-L418 WeakPolarHBondContact O-CB 3.42Å; E414-L418 WeakPolarHBondContact O-CG 3.34Å; E414-L418 PolarHBondContact O-N 3.09Å
415F94.8Very high91.4Very high1 Ų137.9 Ų37.90%0.00420%0.198CC..Hα-helixtrans-64.4-39.7171.6-179.7-99.1000112.6F410 N411 N412 Q413 L418 L419 L433 M436 P470 W473 L474F410-F415 HydrophobicContact CE1-CB 3.95Å; F410-F415 HydrophobicContact CE1-CG 4.34Å; F410-F415 HydrophobicContact CZ-CB 3.7Å; F410-F415 AromaticContact CZ-CD2 3.88Å; F410-F415 HydrophobicContact CZ-CD2 3.88Å; F410-F415 AromaticContact CZ-CG 3.78Å; F410-F415 HydrophobicContact CZ-CG 3.78Å; N411-F415 PolarHBondContact O-N 3.39Å; N412-F415 PolarHBondContact O-N 2.86Å; Q413-F415 VanDerWaalsContact C-N 3.33Å; Q413-F415 PolarHBondContact O-N 2.85Å; F415-L418 PolarHBondContact O-N 3.44Å; F415-L419 HydrophobicContact CE1-CD2 4.04Å; F415-L419 VanDerWaalsContact O-CB 3.29Å; F415-L419 WeakPolarHBondContact O-CB 3.06Å; F415-L419 PolarHBondContact O-N 3.37Å; F415-L433 HydrophobicContact CE2-CB 4.23Å; F415-M436 HydrophobicContact CD2-CB 4.17Å; F415-M436 HydrophobicContact CE2-CB 4.04Å; F415-P470 HydrophobicContact CD1-CB 3.98Å; F415-P470 HydrophobicContact CE1-CB 3.71Å; F415-P470 HydrophobicContact CE2-CB 4.46Å; F415-P470 HydrophobicContact CG-CB 4.46Å; F415-P470 HydrophobicContact CZ-CB 3.97Å; F415-W473 HydrophobicContact CD1-CE3 4.42Å; F415-L474 HydrophobicContact CZ-CB 4.49Å
416A90.2Very high91.2Very high4 Ų437.7 Ų37.73%0.03320%0.201CC..Hα-helixtrans-61.1-45.2176.400000112N412 Q413 L419 A420 W473N412-A416 WeakPolarHBondContact O-CB 3.3Å; N412-A416 PolarHBondContact O-N 2.92Å; Q413-A416 WeakPolarHBondContact O-CB 3.39Å; Q413-A416 PolarHBondContact O-N 2.91Å; A416-L419 PolarHBondContact O-N 3.09Å; A416-A420 WeakPolarHBondContact O-CB 3.33Å; A416-A420 PolarHBondContact O-N 3.23Å; A416-W473 HydrophobicContact CB-CH2 3.4Å; A416-W473 HydrophobicContact CB-CZ2 4.49Å; A416-W473 HydrophobicContact CB-CZ3 3.48Å; A416-W473 VanDerWaalsContact CB-CZ3 3.48Å
417E89.9Confident91Very high97 Ų9738.8 Ų38.845%0.45320%0.203SC..Hα-helixtrans-65-42178.8-72.4169.9-156.300111.8Q413 Q421Q413-E417 PolarHBondContact NE2-OE1 2.94Å; Q413-E417 WeakPolarHBondContact O-CG 3.37Å; Q413-E417 PolarHBondContact O-N 3.34Å; E417-Q421 VanDerWaalsContact O-CG 3.25Å; E417-Q421 WeakPolarHBondContact O-CG 3.35Å; E417-Q421 PolarHBondContact O-N 2.95Å; E417-Q421 PolarHBondContact O-NE2 3.43Å
418L91.8Very high90.8Very high18 Ų1845.2 Ų45.29%0.09423%0.233CC..Hα-helixtrans-62.6-45172.5-79.8173.1000112.3Y389 E414 F415 Q421 S422 M436Y389-L418 HydrophobicContact CD1-CD1 3.89Å; Y389-L418 HydrophobicContact CD2-CD1 4.48Å; Y389-L418 HydrophobicContact CD2-CD2 4.44Å; Y389-L418 HydrophobicContact CE1-CD1 4.02Å; Y389-L418 HydrophobicContact CE1-CD2 3.98Å; Y389-L418 HydrophobicContact CE1-CG 4.16Å; Y389-L418 HydrophobicContact CE2-CD2 3.85Å; Y389-L418 HydrophobicContact CG-CD1 4.13Å; E414-L418 WeakPolarHBondContact O-CB 3.42Å; E414-L418 WeakPolarHBondContact O-CG 3.34Å; E414-L418 PolarHBondContact O-N 3.09Å; F415-L418 PolarHBondContact O-N 3.44Å; L418-Q421 PolarHBondContact O-N 3.06Å; L418-S422 WeakPolarHBondContact O-CB 3.31Å; L418-S422 PolarHBondContact O-N 3.39Å; L418-S422 PolarHBondContact O-OG 3.07Å; L418-M436 HydrophobicContact CD1-CE 3.56Å
419L92.1Very high90.5Very high0 Ų044.2 Ų44.20%023%0.234CC..Hα-helixtrans-61.3-47178.7-179.654.1000111.3V163 F415 A416 Q421 S422 V423 V430 L433 W473 L474 V477V163-L419 HydrophobicContact CG1-CG 4.32Å; V163-L419 HydrophobicContact CG2-CB 4.34Å; V163-L419 HydrophobicContact CG2-CD2 4.04Å; V163-L419 HydrophobicContact CG2-CG 3.97Å; F415-L419 HydrophobicContact CE1-CD2 4.04Å; F415-L419 VanDerWaalsContact O-CB 3.29Å; F415-L419 WeakPolarHBondContact O-CB 3.06Å; F415-L419 PolarHBondContact O-N 3.37Å; A416-L419 PolarHBondContact O-N 3.09Å; L419-Q421 VanDerWaalsContact C-N 3.31Å; L419-Q421 PolarHBondContact O-N 2.84Å; L419-S422 PolarHBondContact O-N 3.15Å; L419-V423 WeakPolarHBondContact O-CG2 3.46Å; L419-V423 PolarHBondContact O-N 3.34Å; L419-V423 VanDerWaalsContact O-N 3.13Å; L419-V430 HydrophobicContact CD1-CG1 3.86Å; L419-L433 HydrophobicContact CB-CD1 4.18Å; L419-L433 HydrophobicContact CD1-CD1 3.81Å; L419-W473 HydrophobicContact CD2-CD2 4.06Å; L419-W473 HydrophobicContact CD2-CE3 4.49Å; L419-W473 HydrophobicContact CD2-CG 4.02Å; L419-L474 HydrophobicContact CD1-CD1 3.58Å; L419-V477 HydrophobicContact CD1-CB 4.41Å; L419-V477 HydrophobicContact CD1-CG1 4.17Å; L419-V477 HydrophobicContact CD1-CG2 4.42Å; L419-V477 HydrophobicContact CD2-CG2 4.14Å; L419-V477 HydrophobicContact CG-CG2 4.41Å
420A89.1Confident90.2Very high41 Ų4144.2 Ų44.234%0.33923%0.234SC..Hα-helixtrans-60.5-37.2175.600000112.9V163 A416 N424V163-A420 HydrophobicContact CG2-CB 4.36Å; A416-A420 WeakPolarHBondContact O-CB 3.33Å; A416-A420 PolarHBondContact O-N 3.23Å; A420-N424 PolarHBondContact O-ND2 3.48Å
421Q89.4Confident89.9Confident101 Ų10150.4 Ų50.447%0.47226%0.258SS..Hα-helixtrans-69.4-46.7174.4-71.91705400111.8E417 L418 L419 V423 N424 H425E417-Q421 VanDerWaalsContact O-CG 3.25Å; E417-Q421 WeakPolarHBondContact O-CG 3.35Å; E417-Q421 PolarHBondContact O-N 2.95Å; E417-Q421 PolarHBondContact O-NE2 3.43Å; L418-Q421 PolarHBondContact O-N 3.06Å; L419-Q421 VanDerWaalsContact C-N 3.31Å; L419-Q421 PolarHBondContact O-N 2.84Å; Q421-V423 VanDerWaalsContact C-N 3.32Å; Q421-V423 PolarHBondContact O-N 3.05Å; Q421-N424 PolarHBondContact O-N 2.78Å; Q421-H425 PolarHBondContact O-ND1 3.1Å
422S90.6Very high89.7Confident19 Ų1952.2 Ų52.213%0.13327%0.266CS..Hα-helixtrans-64.2-29.8-176.7-74.50000114L418 L419 N424 H425 G426 V430L418-S422 WeakPolarHBondContact O-CB 3.31Å; L418-S422 PolarHBondContact O-N 3.39Å; L418-S422 PolarHBondContact O-OG 3.07Å; L419-S422 PolarHBondContact O-N 3.15Å; S422-N424 PolarHBondContact O-N 3.46Å; S422-H425 WeakPolarHBondContact O-CA 3.36Å; S422-H425 WeakPolarHBondContact O-CB 3.07Å; S422-H425 PolarHBondContact O-N 2.84Å; S422-G426 PolarHBondContact O-N 3.48Å; S422-V430 VanDerWaalsContact C-CG2 3.47Å; S422-V430 WeakPolarHBondContact O-CG2 3.46Å
423V89.3Confident89.8Confident8 Ų852.7 Ų52.75%0.04827%0.268CS..Hα-helixtrans-53.9-40.9174.7167.10000111.9V163 V165 L419 Q421 H425 G426 V430 V477 M481V163-V423 HydrophobicContact CG1-CG2 3.95Å; V165-V423 HydrophobicContact CG1-CG1 4.42Å; L419-V423 WeakPolarHBondContact O-CG2 3.46Å; L419-V423 PolarHBondContact O-N 3.34Å; L419-V423 VanDerWaalsContact O-N 3.13Å; Q421-V423 VanDerWaalsContact C-N 3.32Å; Q421-V423 PolarHBondContact O-N 3.05Å; V423-H425 PolarHBondContact O-N 2.89Å; V423-G426 PolarHBondContact O-N 3.07Å; V423-V430 HydrophobicContact CG2-CG2 4.1Å; V423-V477 HydrophobicContact CG2-CG1 3.58Å; V423-M481 HydrophobicContact CG1-CE 4.3Å; V423-M481 HydrophobicContact CG1-SD 4.48Å; V423-M481 HydrophobicContact CG2-SD 4.14Å; V423-M481 WeakPolarHBondContact O-CE 3.27Å
424N85.1Confident90Very high117 Ų11751.8 Ų51.863%0.62627%0.267SS*.THydrogen-bonded Turntrans-70-12.8178.4-59-73.2000113.7A420 Q421 S422A420-N424 PolarHBondContact O-ND2 3.48Å; Q421-N424 PolarHBondContact O-N 2.78Å; S422-N424 PolarHBondContact O-N 3.46Å
425H84.2Confident90.1Very high134 Ų13454.7 Ų54.762%0.6228%0.279SS*.THydrogen-bonded Turntrans-99.92179-6183.8000112.7Q421 S422 V423 A429Q421-H425 PolarHBondContact O-ND1 3.1Å; S422-H425 WeakPolarHBondContact O-CA 3.36Å; S422-H425 WeakPolarHBondContact O-CB 3.07Å; S422-H425 PolarHBondContact O-N 2.84Å; V423-H425 PolarHBondContact O-N 2.89Å; H425-A429 HydrophobicContact CB-CB 3.65Å
426G85.7Confident90.1Very high27 Ų2755.5 Ų55.528%0.27828%0.283SS..  trans89177.217400000115.2S422 V423 E428 A429 V430S422-G426 PolarHBondContact O-N 3.48Å; V423-G426 PolarHBondContact O-N 3.07Å; G426-E428 PolarHBondContact O-N 2.83Å; G426-A429 PolarHBondContact O-N 2.97Å; G426-V430 PolarHBondContact O-N 3.2Å
427F87.8Confident90.4Very high46 Ų4655.3 Ų55.320%0.20228%0.282CS..Hα-helixtrans-55.4-45.8-168.5-175.9-85.1000114A429 V430 Y431 L478 M481 G482 P484F427-A429 PolarHBondContact O-N 3.12Å; F427-V430 PolarHBondContact O-N 3.05Å; F427-Y431 HydrophobicContact CE1-CD2 4.31Å; F427-Y431 HydrophobicContact CE1-CG 4.38Å; F427-Y431 WeakPolarHBondContact O-CB 3.4Å; F427-Y431 PolarHBondContact O-N 2.98Å; F427-L478 HydrophobicContact CD2-CD2 4.01Å; F427-L478 HydrophobicContact CE2-CB 4.49Å; F427-L478 HydrophobicContact CE2-CD2 3.74Å; F427-L478 HydrophobicContact CZ-CD2 4.02Å; F427-M481 HydrophobicContact CD2-CB 4.2Å; F427-G482 WeakPolarHBondContact CD2-O 3.37Å; F427-G482 WeakPolarHBondContact CE2-O 3.23Å; F427-P484 HydrophobicContact CD1-CB 3.99Å; F427-P484 HydrophobicContact CD1-CG 4.15Å; F427-P484 HydrophobicContact CE1-CB 4.28Å; F427-P484 HydrophobicContact CE1-CG 3.93Å
428E88.1Confident90.8Very high152 Ų15251.9 Ų51.971%0.7127%0.268SS*.Hα-helixtrans-64.5-38.5-176.4-172.9175.3-17500112.4G426 V430 Y431 E432G426-E428 PolarHBondContact O-N 2.83Å; E428-V430 VanDerWaalsContact C-N 3.34Å; E428-V430 PolarHBondContact O-N 3.27Å; E428-Y431 PolarHBondContact O-N 2.95Å; E428-E432 PolarHBondContact O-N 2.77Å
429A89Confident91.1Very high31 Ų3151 Ų5126%0.25626%0.263SS..Hα-helixtrans-65.5-37.3177.500000112.2H425 G426 F427H425-A429 HydrophobicContact CB-CB 3.65Å; G426-A429 PolarHBondContact O-N 2.97Å; F427-A429 PolarHBondContact O-N 3.12Å
430V91.6Very high91.4Very high0 Ų055.3 Ų55.30%028%0.279CS..Hα-helixtrans-72.5-43173.5178.80000110.6L419 S422 V423 G426 F427 E428 E432 L433 L474 V477 L478 M481L419-V430 HydrophobicContact CD1-CG1 3.86Å; S422-V430 VanDerWaalsContact C-CG2 3.47Å; S422-V430 WeakPolarHBondContact O-CG2 3.46Å; V423-V430 HydrophobicContact CG2-CG2 4.1Å; G426-V430 PolarHBondContact O-N 3.2Å; F427-V430 PolarHBondContact O-N 3.05Å; E428-V430 VanDerWaalsContact C-N 3.34Å; E428-V430 PolarHBondContact O-N 3.27Å; V430-E432 VanDerWaalsContact C-N 3.3Å; V430-E432 PolarHBondContact O-N 3.28Å; V430-L433 VanDerWaalsContact O-CB 3.23Å; V430-L433 WeakPolarHBondContact O-CB 3.43Å; V430-L433 PolarHBondContact O-N 3.4Å; V430-L474 HydrophobicContact CG1-CD1 3.47Å; V430-L474 VanDerWaalsContact CG1-CD1 3.47Å; V430-V477 HydrophobicContact CG1-CG1 4.08Å; V430-L478 HydrophobicContact CB-CD2 4Å; V430-L478 HydrophobicContact CG1-CD2 3.63Å; V430-L478 HydrophobicContact CG1-CG 3.9Å; V430-M481 HydrophobicContact CB-SD 4.07Å; V430-M481 HydrophobicContact CG1-SD 4.25Å; V430-M481 HydrophobicContact CG2-CE 3.98Å; V430-M481 HydrophobicContact CG2-SD 3.65Å
431Y90.3Very high91.8Very high130 Ų13053.3 Ų53.351%0.5126%0.263SS..Hα-helixtrans-60.2-36.9179.4-173.6-100.3000112.9F427 E428 L433 T434 L478F427-Y431 HydrophobicContact CE1-CD2 4.31Å; F427-Y431 HydrophobicContact CE1-CG 4.38Å; F427-Y431 WeakPolarHBondContact O-CB 3.4Å; F427-Y431 PolarHBondContact O-N 2.98Å; E428-Y431 PolarHBondContact O-N 2.95Å; Y431-L433 PolarHBondContact O-N 3.26Å; Y431-T434 VanDerWaalsContact O-CB 3.24Å; Y431-T434 WeakPolarHBondContact O-CB 3.36Å; Y431-T434 PolarHBondContact O-N 3.1Å; Y431-T434 VanDerWaalsContact O-N 3.08Å; Y431-T434 PolarHBondContact O-OG1 2.88Å; Y431-L478 HydrophobicContact CD2-CD1 4.17Å
432E91.6Very high92.3Very high72 Ų7248.5 Ų48.534%0.33624%0.241SC..G310 helixtrans-60.4-25.8172.9-84.9-63125.900113.8R385 E428 V430 T434 K435R385-E432 IonicContact NH1-OE2 2.68Å; E428-E432 PolarHBondContact O-N 2.77Å; V430-E432 VanDerWaalsContact C-N 3.3Å; V430-E432 PolarHBondContact O-N 3.28Å; E432-T434 PolarHBondContact O-N 3.1Å; E432-K435 WeakPolarHBondContact O-CB 3.43Å; E432-K435 PolarHBondContact O-N 3.01Å; E432-K435 VanDerWaalsContact O-N 3.08Å; E432-K435 VanDerWaalsContact OE1-CE 3.32Å; E432-K435 WeakPolarHBondContact OE1-CE 3.27Å; E432-K435 IonicContact OE1-NZ 3.17Å; E432-K435 PolarHBondContact OE1-NZ 2.87Å; E432-K435 WeakPolarHBondContact OE2-CD 3.36Å; E432-K435 WeakPolarHBondContact OE2-CE 3.36Å; E432-K435 IonicContact OE2-NZ 3.14Å; E432-K435 PolarHBondContact OE2-NZ 3.48Å
433L93.6Very high92.6Very high14 Ų1447.7 Ų47.77%0.07323%0.234CC..G310 helixtrans-65.8-14.7175.5-59.9177.7000112.9F415 L419 V430 Y431 K435 M436 C437 L474F415-L433 HydrophobicContact CE2-CB 4.23Å; L419-L433 HydrophobicContact CB-CD1 4.18Å; L419-L433 HydrophobicContact CD1-CD1 3.81Å; V430-L433 VanDerWaalsContact O-CB 3.23Å; V430-L433 WeakPolarHBondContact O-CB 3.43Å; V430-L433 PolarHBondContact O-N 3.4Å; Y431-L433 PolarHBondContact O-N 3.26Å; L433-K435 PolarHBondContact O-N 2.74Å; L433-K435 VanDerWaalsContact O-N 3.16Å; L433-M436 HydrophobicContact CB-CG 4.34Å; L433-M436 HydrophobicContact CD2-CG 3.83Å; L433-M436 WeakPolarHBondContact O-CA 3.46Å; L433-M436 VanDerWaalsContact O-CB 3.22Å; L433-M436 WeakPolarHBondContact O-CB 3.38Å; L433-M436 PolarHBondContact O-N 2.89Å; L433-C437 PolarHBondContact O-SG 3.47Å; L433-L474 HydrophobicContact CB-CD1 3.94Å; L433-L474 HydrophobicContact CB-CD2 4.29Å; L433-L474 HydrophobicContact CD1-CD1 4.36Å
434T94.3Very high93Very high47 Ų4748.5 Ų48.529%0.28824%0.239SC..G310 helixtrans-52.3-38.4169-51.60000110.5Y431 E432 M436 C437 L471 L474Y431-T434 VanDerWaalsContact O-CB 3.24Å; Y431-T434 WeakPolarHBondContact O-CB 3.36Å; Y431-T434 PolarHBondContact O-N 3.1Å; Y431-T434 VanDerWaalsContact O-N 3.08Å; Y431-T434 PolarHBondContact O-OG1 2.88Å; E432-T434 PolarHBondContact O-N 3.1Å; T434-M436 VanDerWaalsContact C-N 3.26Å; T434-M436 PolarHBondContact O-N 3.37Å; T434-C437 WeakPolarHBondContact O-CB 3.48Å; T434-C437 PolarHBondContact O-N 3.23Å; T434-C437 VanDerWaalsContact O-N 3.15Å; T434-L471 HydrophobicContact CG2-CD2 4.11Å; T434-L474 VanDerWaalsContact CA-CD2 3.49Å; T434-L474 VanDerWaalsContact N-CD2 3.28Å; T434-L474 WeakPolarHBondContact OG1-CD2 3.39Å
435K94.1Very high93.5Very high90 Ų9045.7 Ų45.739%0.39122%0.222SC..G310 helixtrans-75-10.6179.6-54.6178.2-167.3162.20113.6R385 E432 L433R385-K435 VanDerWaalsContact CD-O 3.31Å; R385-K435 WeakPolarHBondContact CD-O 3.5Å; R385-K435 VanDerWaalsContact CZ-CB 3.42Å; E432-K435 WeakPolarHBondContact O-CB 3.43Å; E432-K435 PolarHBondContact O-N 3.01Å; E432-K435 VanDerWaalsContact O-N 3.08Å; E432-K435 VanDerWaalsContact OE1-CE 3.32Å; E432-K435 WeakPolarHBondContact OE1-CE 3.27Å; E432-K435 IonicContact OE1-NZ 3.17Å; E432-K435 PolarHBondContact OE1-NZ 2.87Å; E432-K435 WeakPolarHBondContact OE2-CD 3.36Å; E432-K435 WeakPolarHBondContact OE2-CE 3.36Å; E432-K435 IonicContact OE2-NZ 3.14Å; E432-K435 PolarHBondContact OE2-NZ 3.48Å; L433-K435 PolarHBondContact O-N 2.74Å; L433-K435 VanDerWaalsContact O-N 3.16Å
436M94.1Very high93.9Very high17 Ų1739.6 Ų39.68%0.08420%0.195CC..G310 helixtrans-76-32.6168.9-58.8-76.5-70.400111.2R385 N386 F410 F415 L418 L433 T434 T438R385-M436 HydrophobicContact CB-CE 4.36Å; R385-M436 HydrophobicContact CB-CG 4.48Å; R385-M436 HydrophobicContact CB-SD 3.32Å; R385-M436 WeakPolarHBondContact CB-SD 3.49Å; R385-M436 HydrophobicContact CG-SD 4.37Å; N386-M436 HydrophobicContact CB-CE 3.95Å; F410-M436 WeakPolarHBondContact CE2-O 3.43Å; F415-M436 HydrophobicContact CD2-CB 4.17Å; F415-M436 HydrophobicContact CE2-CB 4.04Å; L418-M436 HydrophobicContact CD1-CE 3.56Å; L433-M436 HydrophobicContact CB-CG 4.34Å; L433-M436 HydrophobicContact CD2-CG 3.83Å; L433-M436 WeakPolarHBondContact O-CA 3.46Å; L433-M436 VanDerWaalsContact O-CB 3.22Å; L433-M436 WeakPolarHBondContact O-CB 3.38Å; L433-M436 PolarHBondContact O-N 2.89Å; T434-M436 VanDerWaalsContact C-N 3.26Å; T434-M436 PolarHBondContact O-N 3.37Å; M436-T438 PolarHBondContact O-N 3Å
437C96.5Very high94.4Very high0 Ų038.6 Ų38.60%018%0.183CC..SBendtrans-79.9-5.9-176-48.90000113.4L433 T434 L467 P470 L471L433-C437 PolarHBondContact O-SG 3.47Å; T434-C437 WeakPolarHBondContact O-CB 3.48Å; T434-C437 PolarHBondContact O-N 3.23Å; T434-C437 VanDerWaalsContact O-N 3.15Å; C437-L467 PolarHBondContact O-N 3.38Å; C437-P470 HydrophobicContact CB-CB 4.2Å; C437-P470 VanDerWaalsContact SG-CB 3.56Å; C437-L471 HydrophobicContact CB-CD1 4.49Å; C437-L471 HydrophobicContact CB-CD2 3.59Å; C437-L471 HydrophobicContact CB-CG 3.62Å
438T97.6Very high94.6Very high26 Ų2636.9 Ų36.916%0.1618%0.178CC..EExtended strand (participates in β ladder)trans-108.2121.4175.5-58.60000110.1M436 E464 I465 H466M436-T438 PolarHBondContact O-N 3Å; T438-E464 HydrophobicContact CG2-CG 3.4Å; T438-E464 VanDerWaalsContact CG2-CG 3.4Å; T438-I465 CarbonylContact C-O 3.6Å; T438-I465 WeakPolarHBondContact CA-O 3.47Å; T438-H466 PolarHBondContact OG1-CD2 3.07Å; T438-H466 VanDerWaalsContact OG1-CD2 3.26Å; T438-H466 PolarHBondContact OG1-NE2 3.06Å
439I98.4Very high94.2Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-111.8135176.4-59.8176.8000108.8V382 I409 F410 I465 L467V382-I439 HydrophobicContact CG1-CG2 3.74Å; I409-I439 HydrophobicContact CB-CD1 4.32Å; I409-I439 HydrophobicContact CD1-CD1 3.95Å; I409-I439 HydrophobicContact CD1-CG2 4.32Å; I409-I439 HydrophobicContact CG1-CD1 4.22Å; F410-I439 HydrophobicContact CB-CD1 4.14Å; F410-I439 HydrophobicContact CD2-CD1 4.22Å; I439-I465 HydrophobicContact CB-CB 4.34Å; I439-I465 PolarHBondContact N-O 3.28Å; I439-I465 PolarHBondContact O-N 3.26Å; I439-L467 HydrophobicContact CD1-CD1 4.04Å
440R98.6Very high93.8Very high89 Ų8936.1 Ų36.134%0.33619%0.187SC..EExtended strand (participates in β ladder)trans-113136.5179.5-69174.2169170.1-0.4110.5V382 Q383 W447 W462 E464V382-R440 CarbonylContact C-O 3.39Å; V382-R440 WeakPolarHBondContact CA-O 3.44Å; Q383-R440 HydrophobicContact CB-CB 4.41Å; Q383-R440 PolarHBondContact N-O 2.89Å; Q383-R440 PolarHBondContact O-N 3.11Å; R440-W447 HydrophobicContact CB-CH2 4.42Å; R440-W447 HydrophobicContact CB-CZ2 4.24Å; R440-W462 HydrophobicContact CG-CZ3 4.14Å; R440-E464 HydrophobicContact CG-CG 4.17Å; R440-E464 IonicContact CZ-OE2 3.74Å; R440-E464 IonicContact NE-OE2 2.7Å; R440-E464 PolarHBondContact NE-OE2 3.33Å; R440-E464 IonicContact NH2-OE2 4Å; R440-E464 PolarHBondContact NH2-OE2 3.4Å
441M98.7Very high93.5Very high0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-139.3124.6-178.3180-174.7-50.300112.4V361 L363 A372 I380 F381 V382 W462 I463 I465V361-M441 HydrophobicContact CB-SD 3.97Å; V361-M441 HydrophobicContact CG1-SD 3.74Å; V361-M441 HydrophobicContact CG2-CE 4.02Å; V361-M441 HydrophobicContact CG2-SD 3.83Å; L363-M441 HydrophobicContact CD2-CE 4Å; A372-M441 HydrophobicContact CB-CE 3.89Å; I380-M441 HydrophobicContact CB-CG 4.31Å; I380-M441 HydrophobicContact CB-SD 4.32Å; I380-M441 HydrophobicContact CD1-CE 4.47Å; I380-M441 HydrophobicContact CD1-SD 3.84Å; I380-M441 HydrophobicContact CG1-SD 4.47Å; F381-M441 CarbonylContact O-C 3.53Å; F381-M441 WeakPolarHBondContact O-CA 3.4Å; V382-M441 HydrophobicContact CG2-CB 4.37Å; V382-M441 HydrophobicContact CG2-CE 3.8Å; V382-M441 HydrophobicContact CG2-CG 3.96Å; V382-M441 HydrophobicContact CG2-SD 4.39Å; M441-W462 CarbonylContact O-C 3.59Å; M441-W462 WeakPolarHBondContact O-CA 3.33Å; M441-W462 WeakPolarHBondContact O-CB 3.42Å; M441-I463 HydrophobicContact CB-CD1 4.38Å; M441-I463 HydrophobicContact CB-CG1 3.88Å; M441-I463 PolarHBondContact N-O 2.7Å; M441-I463 PolarHBondContact O-N 3.14Å; M441-I463 HydrophobicContact SD-CD1 4.23Å; M441-I465 HydrophobicContact CE-CD1 4.2Å
442S98.6Very high93.2Very high0 Ų039.7 Ų39.70%021%0.206CC..EExtended strand (participates in β ladder)trans-101.4143.4173.8178.70000111.4I380 F381 K445 T459 C461I380-S442 WeakPolarHBondContact CA-O 3.5Å; F381-S442 PolarHBondContact N-O 2.74Å; F381-S442 PolarHBondContact O-N 2.85Å; S442-K445 WeakPolarHBondContact CB-O 3.19Å; S442-K445 PolarHBondContact OG-O 2.86Å; S442-T459 VanDerWaalsContact OG-CB 3.3Å; S442-T459 WeakPolarHBondContact OG-CB 3.48Å; S442-T459 PolarHBondContact OG-OG1 3.34Å; S442-C461 PolarHBondContact OG-O 3.4Å
443F98.4Very high93.2Very high1 Ų139.5 Ų39.50%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-94137.1172.7-59.3-84.7000111V323 L338 I357 V361 I380 K445 C461 I463V323-F443 HydrophobicContact CG1-CZ 4.13Å; L338-F443 HydrophobicContact CD1-CD2 4.44Å; L338-F443 HydrophobicContact CD1-CE2 3.68Å; L338-F443 HydrophobicContact CD1-CZ 3.99Å; I357-F443 HydrophobicContact CD1-CB 4.39Å; I357-F443 HydrophobicContact CD1-CD2 4.21Å; I357-F443 HydrophobicContact CD1-CG 4.25Å; I357-F443 HydrophobicContact CG1-CB 3.9Å; I357-F443 HydrophobicContact CG1-CD1 4.41Å; I357-F443 HydrophobicContact CG1-CG 4.04Å; I357-F443 HydrophobicContact CG2-CD1 3.9Å; I357-F443 HydrophobicContact CG2-CE1 4.08Å; I357-F443 HydrophobicContact CG2-CG 4.32Å; V361-F443 HydrophobicContact CB-CE1 4.37Å; V361-F443 HydrophobicContact CG1-CE1 3.91Å; V361-F443 HydrophobicContact CG1-CZ 4.08Å; I380-F443 HydrophobicContact CG2-CD1 3.8Å; I380-F443 HydrophobicContact CG2-CE1 4.29Å; F443-K445 PolarHBondContact O-N 2.85Å; F443-C461 HydrophobicContact CD2-CB 4.4Å; F443-C461 PolarHBondContact N-O 3.11Å; F443-I463 HydrophobicContact CE2-CD1 4.5Å; F443-I463 HydrophobicContact CE2-CG1 4.28Å; F443-I463 HydrophobicContact CE2-CG2 4.08Å; F443-I463 HydrophobicContact CZ-CD1 4.2Å; F443-I463 HydrophobicContact CZ-CG1 4.45Å
444V96.5Very high93.1Very high25 Ų2544 Ų4415%0.15222%0.223CC..SBendtrans67.2-37170.9-164.10000115.6T353 H356 S379T353-V444 HydrophobicContact CG2-CB 4.03Å; T353-V444 HydrophobicContact CG2-CG2 3.97Å; H356-V444 HydrophobicContact CB-CG1 4.16Å; H356-V444 HydrophobicContact CB-CG2 3.74Å; S379-V444 WeakPolarHBondContact O-CA 3.27Å; S379-V444 PolarHBondContact O-N 2.84Å
445K95.8Very high93.2Very high58 Ų5846.4 Ų46.425%0.25223%0.234SC..SBendtrans-122.6121.1-174.3-50.3-59.9-176.5-172.50111E25 S442 F443 P460E25-K445 IonicContact OE2-NZ 2.75Å; S442-K445 WeakPolarHBondContact CB-O 3.19Å; S442-K445 PolarHBondContact OG-O 2.86Å; F443-K445 PolarHBondContact O-N 2.85Å; K445-P460 HydrophobicContact CG-CG 4.16Å
446G91.9Very high93.3Very high7 Ų742.5 Ų42.57%0.07222%0.218CC..  trans-76.7165.317700000114.7F381F381-G446 VanDerWaalsContact CD1-CA 3.49Å; F381-G446 VanDerWaalsContact CG-CA 3.46Å
447W97.1Very high93.5Very high5 Ų544.6 Ų44.62%0.01923%0.232CC..  trans-144170.7173.88199.2000110.7F381 Q383 V398 R440 Y451 R453 V456 T459F381-W447 HydrophobicContact CB-CE3 4.14Å; F381-W447 HydrophobicContact CB-CZ3 3.72Å; F381-W447 WeakPolarHBondContact O-CH2 3.37Å; F381-W447 VanDerWaalsContact O-CZ3 3.25Å; F381-W447 WeakPolarHBondContact O-CZ3 3.08Å; Q383-W447 HydrophobicContact CB-CH2 4.15Å; Q383-W447 HydrophobicContact CB-CZ2 3.61Å; V398-W447 WeakPolarHBondContact CB-O 3.24Å; V398-W447 HydrophobicContact CG1-CD2 4.05Å; V398-W447 HydrophobicContact CG1-CE3 3.83Å; V398-W447 HydrophobicContact CG1-CH2 3.86Å; V398-W447 HydrophobicContact CG1-CZ2 4.09Å; V398-W447 HydrophobicContact CG1-CZ3 3.71Å; V398-W447 HydrophobicContact CG2-CD2 3.99Å; V398-W447 HydrophobicContact CG2-CG 4.33Å; V398-W447 HydrophobicContact CG2-CH2 4.49Å; V398-W447 HydrophobicContact CG2-CZ2 3.88Å; V398-W447 VanDerWaalsContact CG2-O 3.3Å; V398-W447 WeakPolarHBondContact CG2-O 3.5Å; R440-W447 HydrophobicContact CB-CH2 4.42Å; R440-W447 HydrophobicContact CB-CZ2 4.24Å; W447-Y451 VanDerWaalsContact C-CD2 3.5Å; W447-Y451 WeakPolarHBondContact O-CD2 3.37Å; W447-R453 CarbonylContact C-O 3.59Å; W447-R453 WeakPolarHBondContact CA-O 3.38Å; W447-R453 HydrophobicContact CB-CB 3.93Å; W447-R453 WeakPolarHBondContact CB-O 3.5Å; W447-V456 VanDerWaalsContact CD1-N 3.34Å; W447-V456 HydrophobicContact CD2-CB 4.12Å; W447-V456 HydrophobicContact CD2-CG2 4.04Å; W447-V456 HydrophobicContact CE3-CG2 4.28Å; W447-V456 HydrophobicContact CG-CB 4.34Å; W447-V456 HydrophobicContact CH2-CG2 4.07Å; W447-V456 HydrophobicContact CZ2-CB 4.1Å; W447-V456 HydrophobicContact CZ2-CG2 3.78Å; W447-V456 HydrophobicContact CZ3-CG2 4.31Å; W447-T459 HydrophobicContact CB-CG2 3.8Å; W447-T459 HydrophobicContact CD2-CG2 4.26Å; W447-T459 HydrophobicContact CE3-CG2 3.99Å; W447-T459 HydrophobicContact CG-CG2 4.22Å
448G91.1Very high93.4Very high10 Ų1047 Ų4710%0.10325%0.248CC..SBendtrans102.8-169.4-17800000112.8E450 Y451 R453 Q454G448-E450 PolarHBondContact O-N 3.34Å; G448-E450 VanDerWaalsContact O-N 3.09Å; G448-Y451 PolarHBondContact O-N 3.23Å; G448-R453 PolarHBondContact N-O 3.08Å; G448-Q454 PolarHBondContact O-NE2 3.14Å
449A80.9Confident93.4Very high99 Ų9945.8 Ų45.882%0.81824%0.241SC*.THydrogen-bonded Turntrans-57.3-29.3-169.200000115
450E79.8Confident93.4Very high69 Ų6945.9 Ų45.932%0.32224%0.241SC..THydrogen-bonded Turntrans-84.1-11.9178.8-64.2-149.3104.200114.7S132 V134 G448S132-E450 WeakPolarHBondContact CB-OE1 3.43Å; S132-E450 PolarHBondContact OG-OE1 3.49Å; V134-E450 VanDerWaalsContact CB-OE1 3.27Å; V134-E450 WeakPolarHBondContact CB-OE1 3.41Å; V134-E450 WeakPolarHBondContact CG1-OE2 3.45Å; V134-E450 HydrophobicContact CG2-CG 4.44Å; V134-E450 WeakPolarHBondContact CG2-OE1 3.2Å; G448-E450 PolarHBondContact O-N 3.34Å; G448-E450 VanDerWaalsContact O-N 3.09Å
451Y86Confident93.4Very high42 Ų4241.6 Ų41.617%0.16523%0.225CC..SBendtrans-114.4160.4-169.4-60.9-88000111.4F381 W447 G448 R453 Q454F381-Y451 HydrophobicContact CD1-CE1 4.31Å; F381-Y451 AromaticContact CD1-CZ 3.94Å; F381-Y451 AromaticContact CE1-CE1 3.74Å; F381-Y451 HydrophobicContact CE1-CE1 3.74Å; F381-Y451 AromaticContact CE1-CZ 3.69Å; F381-Y451 WeakPolarHBondContact CE1-OH 3.46Å; F381-Y451 HydrophobicContact CZ-CE1 4.49Å; W447-Y451 VanDerWaalsContact C-CD2 3.5Å; W447-Y451 WeakPolarHBondContact O-CD2 3.37Å; G448-Y451 PolarHBondContact O-N 3.23Å; Y451-R453 PolarHBondContact O-N 3.33Å; Y451-Q454 PolarHBondContact O-NE2 2.64Å
452H84.6Confident93.4Very high163 Ų16342 Ų4276%0.75523%0.227SC*.SBendtrans-63-29174.5-178.449.2000112.7
453R91.3Very high93.4Very high67 Ų6742 Ų4225%0.25323%0.227SC..  trans-88.4121.2177-69.4166.5173.470.58108.8W447 G448 Y451 S458W447-R453 CarbonylContact C-O 3.59Å; W447-R453 WeakPolarHBondContact CA-O 3.38Å; W447-R453 HydrophobicContact CB-CB 3.93Å; W447-R453 WeakPolarHBondContact CB-O 3.5Å; G448-R453 PolarHBondContact N-O 3.08Å; Y451-R453 PolarHBondContact O-N 3.33Å; R453-S458 WeakPolarHBondContact CD-O 3.37Å; R453-S458 PolarHBondContact NE-O 3.22Å
454Q91.7Very high93.4Very high109 Ų10942.9 Ų42.951%0.50923%0.231SC..  trans-84.6-37.4175.9-62.2-54-61.600111.7G448 Y451G448-Q454 PolarHBondContact O-NE2 3.14Å; Y451-Q454 PolarHBondContact O-NE2 2.64Å
455D94.9Very high93.5Very high97 Ų9741.7 Ų41.752%0.51922%0.224SC..SBendtrans-103.7146.7-178-56.7-73.8000113.4T457 S458D455-T457 PolarHBondContact O-N 2.93Å; D455-S458 WeakPolarHBondContact O-CB 3.38Å; D455-S458 PolarHBondContact O-N 2.96Å
456V97.2Very high93.6Very high9 Ų941.1 Ų41.16%0.05522%0.222CC..G310 helixtrans-60-32.9175.173.90000111.8W447 S458 T459 W462W447-V456 VanDerWaalsContact CD1-N 3.34Å; W447-V456 HydrophobicContact CD2-CB 4.12Å; W447-V456 HydrophobicContact CD2-CG2 4.04Å; W447-V456 HydrophobicContact CE3-CG2 4.28Å; W447-V456 HydrophobicContact CG-CB 4.34Å; W447-V456 HydrophobicContact CH2-CG2 4.07Å; W447-V456 HydrophobicContact CZ2-CB 4.1Å; W447-V456 HydrophobicContact CZ2-CG2 3.78Å; W447-V456 HydrophobicContact CZ3-CG2 4.31Å; V456-S458 PolarHBondContact O-N 2.96Å; V456-S458 VanDerWaalsContact O-N 3.14Å; V456-T459 VanDerWaalsContact O-CB 3.3Å; V456-T459 WeakPolarHBondContact O-CB 3.37Å; V456-T459 WeakPolarHBondContact O-CG2 3.44Å; V456-T459 PolarHBondContact O-N 2.69Å; V456-T459 PolarHBondContact O-OG1 3.07Å; V456-W462 HydrophobicContact CG1-CD2 4.28Å; V456-W462 HydrophobicContact CG1-CE3 4.22Å; V456-W462 HydrophobicContact CG1-CH2 3.95Å; V456-W462 HydrophobicContact CG1-CZ2 3.99Å; V456-W462 HydrophobicContact CG1-CZ3 4.05Å; V456-W462 HydrophobicContact CG2-CB 4.12Å; V456-W462 HydrophobicContact CG2-CD2 3.56Å; V456-W462 HydrophobicContact CG2-CE3 3.64Å; V456-W462 HydrophobicContact CG2-CG 3.78Å; V456-W462 HydrophobicContact CG2-CZ3 4.28Å
457T97.6Very high93.8Very high61 Ų6140.9 Ų40.937%0.37422%0.219SC..G310 helixtrans-66.9-10.9176.553.10000113.6L306 N307 D455 W462L306-T457 CarbonylContact C-O 3.57Å; L306-T457 WeakPolarHBondContact CA-O 3.36Å; L306-T457 WeakPolarHBondContact CB-O 3.49Å; N307-T457 HydrophobicContact CB-CG2 4.3Å; D455-T457 PolarHBondContact O-N 2.93Å; T457-W462 HydrophobicContact CG2-CZ2 4.18Å
458S95.8Very high93.8Very high50 Ų5042.8 Ų42.835%0.3523%0.228SC..G310 helixtrans-88.4-6.1169.6-60.70000113.1R453 D455 V456R453-S458 WeakPolarHBondContact CD-O 3.37Å; R453-S458 PolarHBondContact NE-O 3.22Å; D455-S458 WeakPolarHBondContact O-CB 3.38Å; D455-S458 PolarHBondContact O-N 2.96Å; V456-S458 PolarHBondContact O-N 2.96Å; V456-S458 VanDerWaalsContact O-N 3.14Å
459T97.5Very high93.8Very high0 Ų042.4 Ų42.40%022%0.224CC..SBendtrans-82.5141.8175.771.50000110.6L306 S442 W447 V456 C461L306-T459 WeakPolarHBondContact CA-O 3.41Å; L306-T459 PolarHBondContact N-O 3.25Å; S442-T459 VanDerWaalsContact OG-CB 3.3Å; S442-T459 WeakPolarHBondContact OG-CB 3.48Å; S442-T459 PolarHBondContact OG-OG1 3.34Å; W447-T459 HydrophobicContact CB-CG2 3.8Å; W447-T459 HydrophobicContact CD2-CG2 4.26Å; W447-T459 HydrophobicContact CE3-CG2 3.99Å; W447-T459 HydrophobicContact CG-CG2 4.22Å; V456-T459 VanDerWaalsContact O-CB 3.3Å; V456-T459 WeakPolarHBondContact O-CB 3.37Å; V456-T459 WeakPolarHBondContact O-CG2 3.44Å; V456-T459 PolarHBondContact O-N 2.69Å; V456-T459 PolarHBondContact O-OG1 3.07Å; T459-C461 VanDerWaalsContact C-N 3.34Å; T459-C461 PolarHBondContact O-N 3.39Å
460P97.2Very high94.4Very high2 Ų237.9 Ų37.91%0.01319%0.187CC..SBendtrans-71.2-28.7-172.8-17.932.7000113.7E305 T349 I350 T353 K445E305-P460 WeakPolarHBondContact CA-O 3.23Å; T349-P460 HydrophobicContact CG2-CG 3.99Å; I350-P460 HydrophobicContact CB-CB 4.37Å; I350-P460 HydrophobicContact CG1-CB 3.89Å; T353-P460 HydrophobicContact CG2-CB 4.07Å; T353-P460 HydrophobicContact CG2-CG 4.38Å; T353-P460 WeakPolarHBondContact OG1-CB 3.37Å; T353-P460 WeakPolarHBondContact OG1-CG 3.21Å; K445-P460 HydrophobicContact CG-CG 4.16Å
461C98.5Very high95.2Very high0 Ų037 Ų370%018%0.184CC..SBendtrans-147.9117.5-176.7-61.80000109.8Y303 T353 R354 I357 S442 F443 T459Y303-C461 HydrophobicContact CE2-CB 4.08Å; Y303-C461 PolarHBondContact OH-SG 2.87Å; T353-C461 HydrophobicContact CG2-CB 3.88Å; R354-C461 VanDerWaalsContact CG-SG 3.52Å; I357-C461 HydrophobicContact CD1-CB 4.23Å; S442-C461 PolarHBondContact OG-O 3.4Å; F443-C461 HydrophobicContact CD2-CB 4.4Å; F443-C461 PolarHBondContact N-O 3.11Å; T459-C461 VanDerWaalsContact C-N 3.34Å; T459-C461 PolarHBondContact O-N 3.39Å
462W98.8Very high95.5Very high9 Ų938.1 Ų38.13%0.03419%0.191CC..EExtended strand (participates in β ladder)trans-147.4162.9177.264.1-78.1000111.6Y303 Y304 L306 R440 M441 V456 T457 E464Y303-W462 VanDerWaalsContact CD2-O 3.23Å; Y303-W462 WeakPolarHBondContact CD2-O 3.39Å; Y304-W462 VanDerWaalsContact CB-NE1 3.34Å; Y304-W462 HydrophobicContact CD1-CH2 4.26Å; Y304-W462 AromaticContact CD1-CZ2 3.83Å; Y304-W462 HydrophobicContact CD1-CZ2 3.83Å; Y304-W462 HydrophobicContact CD2-CD2 4.36Å; Y304-W462 HydrophobicContact CD2-CE3 4.26Å; Y304-W462 AromaticContact CD2-CH2 3.76Å; Y304-W462 HydrophobicContact CD2-CH2 3.76Å; Y304-W462 AromaticContact CD2-CZ2 3.88Å; Y304-W462 HydrophobicContact CD2-CZ2 3.88Å; Y304-W462 AromaticContact CD2-CZ3 3.98Å; Y304-W462 HydrophobicContact CD2-CZ3 3.98Å; Y304-W462 HydrophobicContact CE1-CZ2 4.47Å; Y304-W462 HydrophobicContact CE2-CH2 4.07Å; Y304-W462 HydrophobicContact CE2-CZ3 4.36Å; Y304-W462 HydrophobicContact CG-CD2 4.32Å; Y304-W462 AromaticContact CG-CE2 3.75Å; Y304-W462 AromaticContact CG-CH2 3.89Å; Y304-W462 HydrophobicContact CG-CH2 3.89Å; Y304-W462 AromaticContact CG-CZ2 3.51Å; Y304-W462 HydrophobicContact CG-CZ2 3.51Å; Y304-W462 HydrophobicContact CG-CZ3 4.44Å; Y304-W462 PolarHBondContact N-O 3.37Å; Y304-W462 PolarHBondContact O-N 2.82Å; L306-W462 PolarHBondContact O-NE1 2.74Å; R440-W462 HydrophobicContact CG-CZ3 4.14Å; M441-W462 CarbonylContact O-C 3.59Å; M441-W462 WeakPolarHBondContact O-CA 3.33Å; M441-W462 WeakPolarHBondContact O-CB 3.42Å; V456-W462 HydrophobicContact CG1-CD2 4.28Å; V456-W462 HydrophobicContact CG1-CE3 4.22Å; V456-W462 HydrophobicContact CG1-CH2 3.95Å; V456-W462 HydrophobicContact CG1-CZ2 3.99Å; V456-W462 HydrophobicContact CG1-CZ3 4.05Å; V456-W462 HydrophobicContact CG2-CB 4.12Å; V456-W462 HydrophobicContact CG2-CD2 3.56Å; V456-W462 HydrophobicContact CG2-CE3 3.64Å; V456-W462 HydrophobicContact CG2-CG 3.78Å; V456-W462 HydrophobicContact CG2-CZ3 4.28Å; T457-W462 HydrophobicContact CG2-CZ2 4.18Å; W462-E464 HydrophobicContact CZ3-CB 3.89Å; W462-E464 HydrophobicContact CZ3-CG 4.41Å
463I98.8Very high95.8Very high0 Ų030.5 Ų30.50%016%0.155CC..EExtended strand (participates in β ladder)trans-122.6149.4174.254.5174.4000110.8I301 V302 Y303 V323 V361 M441 F443 I465I301-I463 HydrophobicContact CG2-CB 3.83Å; I301-I463 HydrophobicContact CG2-CD1 3.93Å; I301-I463 HydrophobicContact CG2-CG1 4.4Å; I301-I463 HydrophobicContact CG2-CG2 3.95Å; V302-I463 CarbonylContact O-C 3.18Å; V302-I463 VanDerWaalsContact O-CA 3.22Å; V302-I463 WeakPolarHBondContact O-CA 3.37Å; Y303-I463 HydrophobicContact CD2-CG2 3.94Å; V323-I463 HydrophobicContact CG1-CD1 4.41Å; V361-I463 HydrophobicContact CG1-CD1 4.42Å; M441-I463 HydrophobicContact CB-CD1 4.38Å; M441-I463 HydrophobicContact CB-CG1 3.88Å; M441-I463 PolarHBondContact N-O 2.7Å; M441-I463 PolarHBondContact O-N 3.14Å; M441-I463 HydrophobicContact SD-CD1 4.23Å; F443-I463 HydrophobicContact CE2-CD1 4.5Å; F443-I463 HydrophobicContact CE2-CG1 4.28Å; F443-I463 HydrophobicContact CE2-CG2 4.08Å; F443-I463 HydrophobicContact CZ-CD1 4.2Å; F443-I463 HydrophobicContact CZ-CG1 4.45Å; I463-I465 HydrophobicContact CD1-CD1 4.11Å; I463-I465 HydrophobicContact CD1-CG1 4.17Å; I463-I465 HydrophobicContact CG1-CG1 4.47Å
464E98.6Very high95.9Very high18 Ų1827.5 Ų27.58%0.08414%0.144CC..EExtended strand (participates in β ladder)trans-112.8124.7168.3-162.4164.760.100108.9I301 V302 Y304 T438 R440 W462 H466I301-E464 WeakPolarHBondContact CA-O 3.29Å; V302-E464 PolarHBondContact N-O 3.36Å; V302-E464 PolarHBondContact O-N 3.39Å; Y304-E464 HydrophobicContact CD2-CB 4.48Å; Y304-E464 HydrophobicContact CE2-CB 4Å; T438-E464 HydrophobicContact CG2-CG 3.4Å; T438-E464 VanDerWaalsContact CG2-CG 3.4Å; R440-E464 HydrophobicContact CG-CG 4.17Å; R440-E464 IonicContact CZ-OE2 3.74Å; R440-E464 IonicContact NE-OE2 2.7Å; R440-E464 PolarHBondContact NE-OE2 3.33Å; R440-E464 IonicContact NH2-OE2 4Å; R440-E464 PolarHBondContact NH2-OE2 3.4Å; W462-E464 HydrophobicContact CZ3-CB 3.89Å; W462-E464 HydrophobicContact CZ3-CG 4.41Å; E464-H466 IonicContact OE1-CE1 3.49Å; E464-H466 PolarHBondContact OE1-CE1 3.02Å; E464-H466 IonicContact OE1-NE2 2.76Å
465I98.5Very high95.8Very high1 Ų127 Ų271%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-110.9123.1-176.4-55.1163.3000107.4C299 S300 I301 L363 T438 I439 M441 I463 L467C299-I465 HydrophobicContact CB-CG2 4Å; S300-I465 WeakPolarHBondContact O-CA 3.24Å; I301-I465 HydrophobicContact CG1-CG1 4.38Å; I301-I465 HydrophobicContact CG2-CG1 4.26Å; L363-I465 HydrophobicContact CD1-CD1 3.74Å; L363-I465 HydrophobicContact CD1-CG1 4.41Å; L363-I465 HydrophobicContact CD2-CD1 4.21Å; T438-I465 CarbonylContact C-O 3.6Å; T438-I465 WeakPolarHBondContact CA-O 3.47Å; I439-I465 HydrophobicContact CB-CB 4.34Å; I439-I465 PolarHBondContact N-O 3.28Å; I439-I465 PolarHBondContact O-N 3.26Å; M441-I465 HydrophobicContact CE-CD1 4.2Å; I463-I465 HydrophobicContact CD1-CD1 4.11Å; I463-I465 HydrophobicContact CD1-CG1 4.17Å; I463-I465 HydrophobicContact CG1-CG1 4.47Å; I465-L467 HydrophobicContact CG2-CD2 4.12Å
466H97.9Very high95.5Very high45 Ų4524.9 Ų24.921%0.20813%0.131CC..EExtended strand (participates in β ladder)trans-108.3118.8176.7-66.189.4000109.5C299 S300 T438 E464 H468 L471C299-H466 CarbonylContact C-O 3.6Å; C299-H466 WeakPolarHBondContact CA-O 3.26Å; C299-H466 WeakPolarHBondContact CB-O 3.43Å; S300-H466 PolarHBondContact N-O 3.29Å; S300-H466 PolarHBondContact O-N 2.98Å; T438-H466 PolarHBondContact OG1-CD2 3.07Å; T438-H466 VanDerWaalsContact OG1-CD2 3.26Å; T438-H466 PolarHBondContact OG1-NE2 3.06Å; E464-H466 IonicContact OE1-CE1 3.49Å; E464-H466 PolarHBondContact OE1-CE1 3.02Å; E464-H466 IonicContact OE1-NE2 2.76Å; H466-H468 PolarHBondContact O-CD2 2.79Å; H466-H468 VanDerWaalsContact O-CD2 3.26Å; H466-L471 HydrophobicContact CB-CD1 4.16Å
467L96.9Very high95.1Very high3 Ų324.4 Ų24.42%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-86.6111.8-179.1-58.1-179.7000110.2W298 C299 V370 F410 C437 I439 I465 P470 L471W298-L467 HydrophobicContact CE3-CD2 4.11Å; W298-L467 HydrophobicContact CZ3-CD2 3.85Å; C299-L467 HydrophobicContact CB-CD2 3.95Å; V370-L467 HydrophobicContact CG2-CD1 4.42Å; V370-L467 HydrophobicContact CG2-CD2 4.13Å; F410-L467 HydrophobicContact CB-CD1 3.79Å; F410-L467 HydrophobicContact CD1-CD1 3.67Å; F410-L467 HydrophobicContact CD2-CD1 3.36Å; F410-L467 HydrophobicContact CE1-CD1 4.04Å; F410-L467 HydrophobicContact CE2-CD1 3.75Å; F410-L467 HydrophobicContact CG-CD1 3.31Å; F410-L467 HydrophobicContact CZ-CD1 4.06Å; C437-L467 PolarHBondContact O-N 3.38Å; I439-L467 HydrophobicContact CD1-CD1 4.04Å; I465-L467 HydrophobicContact CG2-CD2 4.12Å; L467-P470 HydrophobicContact CB-CB 4.48Å; L467-P470 HydrophobicContact CB-CG 3.95Å; L467-L471 WeakPolarHBondContact O-CB 3.41Å; L467-L471 WeakPolarHBondContact O-CD1 3.37Å; L467-L471 VanDerWaalsContact O-CG 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.29Å; L467-L471 PolarHBondContact O-N 3.34Å
468H95.4Very high94.7Very high44 Ų4422.7 Ų22.720%0.20412%0.117CC..Hα-helixtrans-73.2-35.8-168.6-68.1-176.4000112.8P295 H297 W298 S300 Q315 H466 L471 Q472P295-H468 HydrophobicContact CB-CB 4.19Å; P295-H468 HydrophobicContact CG-CB 3.65Å; H297-H468 VanDerWaalsContact O-CB 3.29Å; H297-H468 WeakPolarHBondContact O-CB 3.31Å; H297-H468 PolarHBondContact O-ND1 3.1Å; H297-H468 VanDerWaalsContact O-ND1 3.17Å; W298-H468 PolarHBondContact O-N 3.1Å; S300-H468 VanDerWaalsContact CB-NE2 3.34Å; S300-H468 WeakPolarHBondContact CB-NE2 3.46Å; S300-H468 PolarHBondContact N-NE2 3.15Å; S300-H468 PolarHBondContact OG-NE2 2.82Å; Q315-H468 PolarHBondContact OE1-CE1 3.48Å; H466-H468 PolarHBondContact O-CD2 2.79Å; H466-H468 VanDerWaalsContact O-CD2 3.26Å; H468-L471 PolarHBondContact O-N 3.18Å; H468-Q472 VanDerWaalsContact O-CB 3.3Å; H468-Q472 WeakPolarHBondContact O-CB 3.26Å; H468-Q472 PolarHBondContact O-N 3.41Å
469G92.7Very high94.3Very high3 Ų325.5 Ų25.53%0.03113%0.132CC..Hα-helixtrans-62.4-56179.100000112.1L471 Q472 W473G469-L471 VanDerWaalsContact C-N 3.31Å; G469-L471 PolarHBondContact O-N 2.65Å; G469-Q472 PolarHBondContact O-N 3.23Å; G469-W473 PolarHBondContact O-N 2.91Å
470P93.8Very high93.7Very high4 Ų428.2 Ų28.23%0.02614%0.144CC..Hα-helixtrans-53.6-42.7172.4-3138.1000113.7F410 F415 C437 L467 W473 L474F410-P470 HydrophobicContact CD1-CG 4.47Å; F410-P470 HydrophobicContact CE1-CB 4.34Å; F410-P470 HydrophobicContact CE1-CG 3.52Å; F410-P470 HydrophobicContact CZ-CB 4Å; F410-P470 HydrophobicContact CZ-CG 3.67Å; F415-P470 HydrophobicContact CD1-CB 3.98Å; F415-P470 HydrophobicContact CE1-CB 3.71Å; F415-P470 HydrophobicContact CE2-CB 4.46Å; F415-P470 HydrophobicContact CG-CB 4.46Å; F415-P470 HydrophobicContact CZ-CB 3.97Å; C437-P470 HydrophobicContact CB-CB 4.2Å; C437-P470 VanDerWaalsContact SG-CB 3.56Å; L467-P470 HydrophobicContact CB-CB 4.48Å; L467-P470 HydrophobicContact CB-CG 3.95Å; P470-W473 PolarHBondContact O-N 3.1Å; P470-L474 VanDerWaalsContact O-CB 3.3Å; P470-L474 WeakPolarHBondContact O-CB 3.34Å; P470-L474 PolarHBondContact O-N 3.49Å
471L94.8Very high92.9Very high49 Ų4929.3 Ų29.326%0.25715%0.15SC..Hα-helixtrans-63.2-45.7176.2-75.1170.2000112.7T434 C437 H466 L467 H468 G469 W473 L474 D475T434-L471 HydrophobicContact CG2-CD2 4.11Å; C437-L471 HydrophobicContact CB-CD1 4.49Å; C437-L471 HydrophobicContact CB-CD2 3.59Å; C437-L471 HydrophobicContact CB-CG 3.62Å; H466-L471 HydrophobicContact CB-CD1 4.16Å; L467-L471 WeakPolarHBondContact O-CB 3.41Å; L467-L471 WeakPolarHBondContact O-CD1 3.37Å; L467-L471 VanDerWaalsContact O-CG 3.26Å; L467-L471 WeakPolarHBondContact O-CG 3.29Å; L467-L471 PolarHBondContact O-N 3.34Å; H468-L471 PolarHBondContact O-N 3.18Å; G469-L471 VanDerWaalsContact C-N 3.31Å; G469-L471 PolarHBondContact O-N 2.65Å; L471-W473 VanDerWaalsContact C-N 3.33Å; L471-W473 PolarHBondContact O-N 2.96Å; L471-L474 PolarHBondContact O-N 3.39Å; L471-D475 WeakPolarHBondContact O-CB 3.34Å; L471-D475 PolarHBondContact O-N 3.02Å
472Q92.5Very high91.9Very high67 Ų6731.7 Ų31.731%0.31317%0.174SC..Hα-helixtrans-66-36.3179.7-173.9-177.3-1.600111.6H468 G469 K476H468-Q472 VanDerWaalsContact O-CB 3.3Å; H468-Q472 WeakPolarHBondContact O-CB 3.26Å; H468-Q472 PolarHBondContact O-N 3.41Å; G469-Q472 PolarHBondContact O-N 3.23Å; Q472-K476 WeakPolarHBondContact O-CG 3.47Å; Q472-K476 PolarHBondContact O-N 3.4Å
473W91Very high90.8Very high3 Ų336.2 Ų36.21%0.01121%0.207CC..Hα-helixtrans-67.2-43.4174.8-160.73.5000111.5L160 P161 V163 V290 Y292 F415 A416 L419 G469 P470 L471 K476 V477L160-W473 HydrophobicContact CB-CH2 3.93Å; L160-W473 HydrophobicContact CB-CZ3 4.35Å; L160-W473 HydrophobicContact CD1-CH2 4.45Å; L160-W473 HydrophobicContact CD1-CZ3 4.04Å; P161-W473 WeakPolarHBondContact O-CZ2 3.4Å; V163-W473 HydrophobicContact CG2-CH2 4.42Å; V163-W473 HydrophobicContact CG2-CZ2 3.67Å; V290-W473 PolarHBondContact O-NE1 2.89Å; Y292-W473 HydrophobicContact CD2-CB 4.06Å; Y292-W473 AromaticContact CD2-CD2 3.75Å; Y292-W473 HydrophobicContact CD2-CD2 3.75Å; Y292-W473 AromaticContact CD2-CE3 3.35Å; Y292-W473 HydrophobicContact CD2-CE3 3.35Å; Y292-W473 HydrophobicContact CD2-CG 4.11Å; Y292-W473 AromaticContact CD2-CZ3 3.9Å; Y292-W473 HydrophobicContact CD2-CZ3 3.9Å; Y292-W473 HydrophobicContact CE2-CE3 4.16Å; Y292-W473 HydrophobicContact CG-CD2 4.35Å; Y292-W473 HydrophobicContact CG-CE3 4.04Å; Y292-W473 HydrophobicContact CG-CZ3 4.22Å; F415-W473 HydrophobicContact CD1-CE3 4.42Å; A416-W473 HydrophobicContact CB-CH2 3.4Å; A416-W473 HydrophobicContact CB-CZ2 4.49Å; A416-W473 HydrophobicContact CB-CZ3 3.48Å; A416-W473 VanDerWaalsContact CB-CZ3 3.48Å; L419-W473 HydrophobicContact CD2-CD2 4.06Å; L419-W473 HydrophobicContact CD2-CE3 4.49Å; L419-W473 HydrophobicContact CD2-CG 4.02Å; G469-W473 PolarHBondContact O-N 2.91Å; P470-W473 PolarHBondContact O-N 3.1Å; L471-W473 VanDerWaalsContact C-N 3.33Å; L471-W473 PolarHBondContact O-N 2.96Å; W473-K476 PolarHBondContact O-N 3.38Å; W473-V477 WeakPolarHBondContact O-CG2 3.39Å; W473-V477 PolarHBondContact O-N 3.48Å; W473-V477 VanDerWaalsContact O-N 3.14Å
474L92.9Very high89.8Confident3 Ų339.4 Ų39.42%0.01623%0.228CC..Hα-helixtrans-61.7-44177.1-171.368.3000112F415 L419 V430 L433 T434 P470 L471 V477 L478F415-L474 HydrophobicContact CZ-CB 4.49Å; L419-L474 HydrophobicContact CD1-CD1 3.58Å; V430-L474 HydrophobicContact CG1-CD1 3.47Å; V430-L474 VanDerWaalsContact CG1-CD1 3.47Å; L433-L474 HydrophobicContact CB-CD1 3.94Å; L433-L474 HydrophobicContact CB-CD2 4.29Å; L433-L474 HydrophobicContact CD1-CD1 4.36Å; T434-L474 VanDerWaalsContact CA-CD2 3.49Å; T434-L474 VanDerWaalsContact N-CD2 3.28Å; T434-L474 WeakPolarHBondContact OG1-CD2 3.39Å; P470-L474 VanDerWaalsContact O-CB 3.3Å; P470-L474 WeakPolarHBondContact O-CB 3.34Å; P470-L474 PolarHBondContact O-N 3.49Å; L471-L474 PolarHBondContact O-N 3.39Å; L474-V477 PolarHBondContact O-N 3.37Å; L474-L478 HydrophobicContact CD2-CD1 4.43Å; L474-L478 HydrophobicContact CG-CD1 3.98Å; L474-L478 HydrophobicContact CG-CG 4.43Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 WeakPolarHBondContact O-CG 3.29Å; L474-L478 PolarHBondContact O-N 2.86Å
475D90.7Very high88.4Confident99 Ų9947.5 Ų47.553%0.52927%0.265SS..Hα-helixtrans-59.6-46177.2-178.269.5000112.4L471 V477 L478 T479L471-D475 WeakPolarHBondContact O-CB 3.34Å; L471-D475 PolarHBondContact O-N 3.02Å; D475-V477 VanDerWaalsContact C-N 3.31Å; D475-V477 PolarHBondContact O-N 2.9Å; D475-L478 PolarHBondContact O-N 3.14Å; D475-T479 WeakPolarHBondContact O-CB 3.35Å; D475-T479 PolarHBondContact O-N 3Å; D475-T479 PolarHBondContact O-OG1 3.31Å
476K89.1Confident87.3Confident52 Ų5253.7 Ų53.723%0.22630%0.299CS..Hα-helixtrans-60.8-36.5174-73.2-179.8-179.7178.60113.1V290 E293 Q472 W473 Q480V290-K476 HydrophobicContact CG1-CB 3.56Å; V290-K476 HydrophobicContact CG1-CD 4.2Å; E293-K476 IonicContact OE1-NZ 3.22Å; E293-K476 PolarHBondContact OE1-NZ 3.45Å; E293-K476 IonicContact OE2-NZ 3.73Å; E293-K476 PolarHBondContact OE2-NZ 3.27Å; Q472-K476 WeakPolarHBondContact O-CG 3.47Å; Q472-K476 PolarHBondContact O-N 3.4Å; W473-K476 PolarHBondContact O-N 3.38Å; K476-Q480 WeakPolarHBondContact O-CG 3.27Å
477V88.9Confident86.4Confident0 Ų057.5 Ų57.50%033%0.328CS..Hα-helixtrans-71.9-49.6176.3170.50000110.7V163 V165 V290 L419 V423 V430 W473 L474 D475 T479 Q480 M481V163-V477 HydrophobicContact CB-CG2 4.27Å; V163-V477 HydrophobicContact CG1-CG2 3.97Å; V165-V477 HydrophobicContact CG2-CB 4.47Å; V165-V477 HydrophobicContact CG2-CG1 3.97Å; V165-V477 HydrophobicContact CG2-CG2 4.24Å; V290-V477 HydrophobicContact CB-CG2 4.1Å; V290-V477 HydrophobicContact CG1-CG2 4.05Å; V290-V477 HydrophobicContact CG2-CG2 4.24Å; L419-V477 HydrophobicContact CD1-CB 4.41Å; L419-V477 HydrophobicContact CD1-CG1 4.17Å; L419-V477 HydrophobicContact CD1-CG2 4.42Å; L419-V477 HydrophobicContact CD2-CG2 4.14Å; L419-V477 HydrophobicContact CG-CG2 4.41Å; V423-V477 HydrophobicContact CG2-CG1 3.58Å; V430-V477 HydrophobicContact CG1-CG1 4.08Å; W473-V477 WeakPolarHBondContact O-CG2 3.39Å; W473-V477 PolarHBondContact O-N 3.48Å; W473-V477 VanDerWaalsContact O-N 3.14Å; L474-V477 PolarHBondContact O-N 3.37Å; D475-V477 VanDerWaalsContact C-N 3.31Å; D475-V477 PolarHBondContact O-N 2.9Å; V477-T479 VanDerWaalsContact C-N 3.28Å; V477-T479 PolarHBondContact O-N 2.98Å; V477-Q480 PolarHBondContact O-N 3.05Å; V477-M481 HydrophobicContact CG1-CG 4.43Å; V477-M481 HydrophobicContact CG1-SD 3.91Å; V477-M481 WeakPolarHBondContact O-CG 3.26Å; V477-M481 PolarHBondContact O-N 3.5Å
478L88.8Confident85.7Confident25 Ų2565 Ų6513%0.13137%0.366CS..Hα-helixtrans-58.7-39.3179.6-75.9171000112.3F427 V430 Y431 L474 D475 Q480 M481F427-L478 HydrophobicContact CD2-CD2 4.01Å; F427-L478 HydrophobicContact CE2-CB 4.49Å; F427-L478 HydrophobicContact CE2-CD2 3.74Å; F427-L478 HydrophobicContact CZ-CD2 4.02Å; V430-L478 HydrophobicContact CB-CD2 4Å; V430-L478 HydrophobicContact CG1-CD2 3.63Å; V430-L478 HydrophobicContact CG1-CG 3.9Å; Y431-L478 HydrophobicContact CD2-CD1 4.17Å; L474-L478 HydrophobicContact CD2-CD1 4.43Å; L474-L478 HydrophobicContact CG-CD1 3.98Å; L474-L478 HydrophobicContact CG-CG 4.43Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 WeakPolarHBondContact O-CG 3.29Å; L474-L478 PolarHBondContact O-N 2.86Å; D475-L478 PolarHBondContact O-N 3.14Å; L478-Q480 PolarHBondContact O-N 2.82Å; L478-Q480 VanDerWaalsContact O-N 3.16Å; L478-M481 PolarHBondContact O-N 3.07Å; L478-M481 VanDerWaalsContact O-N 3.1Å
479T87.3Confident85.1Confident108 Ų10865.9 Ų65.966%0.66338%0.377SS*.THydrogen-bonded Turntrans-58.7-26.7176.3-61.50000112.7D475 V477D475-T479 WeakPolarHBondContact O-CB 3.35Å; D475-T479 PolarHBondContact O-N 3Å; D475-T479 PolarHBondContact O-OG1 3.31Å; V477-T479 VanDerWaalsContact C-N 3.28Å; V477-T479 PolarHBondContact O-N 2.98Å
480Q85.1Confident84.7Confident57 Ų5771.7 Ų71.727%0.26642%0.417SS..THydrogen-bonded Turntrans-93.2-13.2179.7-65.7178.826.500113.7V165 K476 V477 L478V165-Q480 HydrophobicContact CB-CB 4.43Å; V165-Q480 HydrophobicContact CG1-CB 3.95Å; K476-Q480 WeakPolarHBondContact O-CG 3.27Å; V477-Q480 PolarHBondContact O-N 3.05Å; L478-Q480 PolarHBondContact O-N 2.82Å; L478-Q480 VanDerWaalsContact O-N 3.16Å
481M80.7Confident84Confident25 Ų2577.7 Ų77.712%0.12345%0.453CS..SBendtrans-90.5-2.5-175.5-69.5-175.177.300114.9V165 V423 F427 V430 V477 L478V165-M481 HydrophobicContact CG1-CG 3.77Å; V423-M481 HydrophobicContact CG1-CE 4.3Å; V423-M481 HydrophobicContact CG1-SD 4.48Å; V423-M481 HydrophobicContact CG2-SD 4.14Å; V423-M481 WeakPolarHBondContact O-CE 3.27Å; F427-M481 HydrophobicContact CD2-CB 4.2Å; V430-M481 HydrophobicContact CB-SD 4.07Å; V430-M481 HydrophobicContact CG1-SD 4.25Å; V430-M481 HydrophobicContact CG2-CE 3.98Å; V430-M481 HydrophobicContact CG2-SD 3.65Å; V477-M481 HydrophobicContact CG1-CG 4.43Å; V477-M481 HydrophobicContact CG1-SD 3.91Å; V477-M481 WeakPolarHBondContact O-CG 3.26Å; V477-M481 PolarHBondContact O-N 3.5Å; L478-M481 PolarHBondContact O-N 3.07Å; L478-M481 VanDerWaalsContact O-N 3.1Å
482G76.2Confident82.6Confident50 Ų5083 Ų8352%0.51550%0.495SS..  trans76.7-162.2-177.900000113.7F427F427-G482 WeakPolarHBondContact CD2-O 3.37Å; F427-G482 WeakPolarHBondContact CE2-O 3.23Å
483S76.6Confident82.1Confident104 Ų10483.9 Ų83.973%0.72750%0.504SS*.  trans-90.2155-177.656.60000113
484P77.4Confident81.6Confident67 Ų6788.1 Ų88.144%0.43553%0.53SS..  trans-57.4147.5170.311.2-16.2000112.1F427 N486F427-P484 HydrophobicContact CD1-CB 3.99Å; F427-P484 HydrophobicContact CD1-CG 4.15Å; F427-P484 HydrophobicContact CE1-CB 4.28Å; F427-P484 HydrophobicContact CE1-CG 3.93Å; P484-N486 PolarHBondContact O-N 3.39Å
485H69.7Low81Confident188 Ų18892.8 Ų92.887%0.8756%0.559SS**SBendtrans-71.5-28.4-171.9-160.277.6000113.7P487H485-P487 WeakPolarHBondContact O-CD 3.08Å
486N76Confident80.4Confident131 Ų13192.5 Ų92.570%0.70156%0.56SS**SBendtrans-89.9114.7176.8-73.2-25.4000109.9P484 I488P484-N486 PolarHBondContact O-N 3.39Å; N486-I488 PolarHBondContact O-N 2.63Å
487P77.3Confident79.9Confident126 Ų12695 Ų9582%0.81858%0.581SS**PPolyproline II helixtrans-66.8133.2173.328.2-33.7000110.1H485H485-P487 WeakPolarHBondContact O-CD 3.08Å
488I82.1Confident79.3Confident159 Ų159101.3 Ų101.382%0.81562%0.62SS**PPolyproline II helixtrans-82.5128.1174.8-62.7170.1000108.2N486N486-I488 PolarHBondContact O-N 2.63Å
489S82.7Confident78.6Confident63 Ų63106.8 Ų106.844%0.44166%0.655SS.*PPolyproline II helixtrans-73.3133.6175146.10000110.6V491 S492S489-V491 PolarHBondContact O-N 2.76Å; S489-V491 PolarHBondContact OG-N 3.41Å; S489-S492 WeakPolarHBondContact CB-OG 3.11Å; S489-S492 PolarHBondContact OG-OG 3.03Å
490S85.4Confident77.9Confident125 Ų125106.7 Ų106.787%0.87465%0.654SS**THydrogen-bonded Turntrans-764.8178.354.80000114.6
491V78.7Confident77.3Confident130 Ų130110.8 Ų110.879%0.78869%0.687SS**THydrogen-bonded Turntrans-126.15.1-172.4-161.80000111.7S489S489-V491 PolarHBondContact O-N 2.76Å; S489-V491 PolarHBondContact OG-N 3.41Å
492S64.9Low77Confident162 Ų162118.6 Ų118.6100%1.13374%0.738SS**  trans-85.60-173.7-64.90000114.3S489S489-S492 WeakPolarHBondContact CB-OG 3.11Å; S489-S492 PolarHBondContact OG-OG 3.03Å

Retrieved 492 of 492 residues in 530.4 ms (Link to these results)

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