A0A087XEX6_POEFO Loading...

Hemojuvelin BMP co-receptor

AlphaFold DB , UniProt , Accession A0A087XEX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 372 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
1A60.8Low85.4Confident138 Ų13868.1 Ų68.1100%1.14139%0.394SS*.  0128.2000000109.2P50A1-P50 HydrophobicContact CB-CB 4.35Å
2S81.9Confident85.7Confident67 Ų6764.4 Ų64.447%0.46937%0.37SS..  trans-85.6148.9177.958.10000111.3R4S2-R4 PolarHBondContact O-N 3.26Å; S2-R4 PolarHBondContact OG-NE 2.85Å
3C88.7Confident85.9Confident41 Ų4165.5 Ų65.528%0.27738%0.378SS..  trans-62.8130.2169.9179.90000110.5P50 C51 D54C3-P50 WeakPolarHBondContact CB-O 3.37Å; C3-C51 WeakPolarHBondContact CA-SG 3.31Å; C3-C51 HydrophobicContact CB-CB 3.94Å; C3-C51 WeakPolarHBondContact CB-SG 3.24Å; C3-C51 VanDerWaalsContact SG-CA 3.52Å; C3-C51 WeakPolarHBondContact SG-CB 3.29Å; C3-C51 CovalentContact SG-SG 2.03Å; C3-C51 PolarHBondContact SG-SG 3.36Å; C3-D54 PolarHBondContact SG-OD2 3.46Å
4R89.3Confident85.5Confident67 Ų6764.6 Ų64.625%0.25338%0.383SS..  trans-130.241.7179.8-64.3-171-174.7149.113.9112.6S2 L6 R7 M47 H256 D258S2-R4 PolarHBondContact O-N 3.26Å; S2-R4 PolarHBondContact OG-NE 2.85Å; R4-L6 VanDerWaalsContact C-N 3.31Å; R4-L6 PolarHBondContact O-N 2.94Å; R4-R7 HydrophobicContact CB-CB 4.44Å; R4-R7 WeakPolarHBondContact O-CB 3.14Å; R4-R7 PolarHBondContact O-N 3.49Å; R4-M47 HydrophobicContact CB-SD 4.19Å; R4-H256 PolarHBondContact NH1-CE1 3.3Å; R4-D258 IonicContact CZ-OD1 3.95Å; R4-D258 IonicContact NH1-OD1 2.75Å; R4-D258 PolarHBondContact NH1-OD1 2.85Å; R4-D258 IonicContact NH1-OD2 3.9Å; R4-D258 IonicContact NH2-OD1 3.94Å
5I91.8Very high85.2Confident2 Ų262.8 Ų62.81%0.0138%0.378CS..Hα-helixtrans-59.2-40.7-179.8179.464.1000112.9R7 C8 N9 T44 D54 A56 Y57 A60I5-R7 PolarHBondContact O-N 3.5Å; I5-C8 HydrophobicContact CD1-CB 4.28Å; I5-C8 WeakPolarHBondContact O-CB 3.43Å; I5-C8 PolarHBondContact O-N 3.32Å; I5-N9 WeakPolarHBondContact CD1-OD1 3.34Å; I5-N9 WeakPolarHBondContact CG1-OD1 3.41Å; I5-N9 PolarHBondContact O-N 3.18Å; I5-N9 PolarHBondContact O-OD1 3.48Å; I5-N9 VanDerWaalsContact O-OD1 3.05Å; I5-T44 HydrophobicContact CD1-CG2 3.74Å; I5-D54 WeakPolarHBondContact CG2-OD1 3.36Å; I5-A56 HydrophobicContact CG2-CB 3.98Å; I5-Y57 HydrophobicContact CD1-CD2 4.15Å; I5-A60 HydrophobicContact CD1-CB 3.62Å; I5-A60 HydrophobicContact CG1-CB 4.17Å
6L88.7Confident85Confident128 Ų12859.9 Ų59.967%0.6736%0.36SS*.Hα-helixtrans-56.1-30.8180-64.2178.2000112.5R4 N9 S10R4-L6 VanDerWaalsContact C-N 3.31Å; R4-L6 PolarHBondContact O-N 2.94Å; L6-N9 PolarHBondContact O-N 3.08Å; L6-S10 WeakPolarHBondContact O-CB 3.4Å; L6-S10 PolarHBondContact O-N 2.95Å; L6-S10 PolarHBondContact O-OG 2.95Å
7R85.8Confident84.6Confident110 Ų11061.2 Ų61.242%0.41537%0.368SS..Hα-helixtrans-67.1-50.6174.3-174.6-179.2170.4-161-2.9111.4R4 I5 N9 S10 E11 H256R4-R7 HydrophobicContact CB-CB 4.44Å; R4-R7 WeakPolarHBondContact O-CB 3.14Å; R4-R7 PolarHBondContact O-N 3.49Å; I5-R7 PolarHBondContact O-N 3.5Å; R7-N9 PolarHBondContact O-N 2.99Å; R7-S10 PolarHBondContact O-N 3.04Å; R7-S10 VanDerWaalsContact O-N 3.11Å; R7-S10 PolarHBondContact O-OG 3.23Å; R7-E11 HydrophobicContact CG-CG 4.49Å; R7-E11 IonicContact CZ-OE1 3.22Å; R7-E11 IonicContact NE-OE1 2.64Å; R7-E11 PolarHBondContact NE-OE1 3.16Å; R7-E11 IonicContact NH2-OE1 3.73Å; R7-E11 PolarHBondContact NH2-OE1 2.98Å; R7-E11 WeakPolarHBondContact O-CG 3.39Å; R7-E11 PolarHBondContact O-N 3.1Å; R7-H256 PolarHBondContact NH1-CD2 3.26Å; R7-H256 VanDerWaalsContact NH1-CD2 3.32Å; R7-H256 PolarHBondContact NH1-CE1 2.75Å; R7-H256 PolarHBondContact NH1-NE2 2.92Å
8C90.2Very high83.7Confident2 Ų264.6 Ų64.61%0.01438%0.379CS..Hα-helixtrans-54.5-41.5175.7-62.50000111.1I5 E11 F12 Y40 C43 T44I5-C8 HydrophobicContact CD1-CB 4.28Å; I5-C8 WeakPolarHBondContact O-CB 3.43Å; I5-C8 PolarHBondContact O-N 3.32Å; C8-E11 PolarHBondContact O-N 3.16Å; C8-F12 PolarHBondContact O-N 2.95Å; C8-F12 VanDerWaalsContact O-N 3.1Å; C8-Y40 HydrophobicContact CB-CD2 3.91Å; C8-Y40 HydrophobicContact CB-CE2 3.79Å; C8-C43 VanDerWaalsContact CA-SG 3.52Å; C8-C43 HydrophobicContact CB-CB 3.81Å; C8-C43 WeakPolarHBondContact CB-SG 3.45Å; C8-C43 VanDerWaalsContact SG-C 3.54Å; C8-C43 WeakPolarHBondContact SG-CB 3.46Å; C8-C43 CovalentContact SG-SG 2.04Å; C8-C43 PolarHBondContact SG-SG 3.11Å; C8-T44 HydrophobicContact CB-CG2 4.36Å
9N90.4Very high83Confident40 Ų4063.7 Ų63.721%0.21437%0.373CS..Hα-helixtrans-64.1-46.5177.9-59.58.9000111.1I5 L6 R7 E11 F12 V13 Y40I5-N9 WeakPolarHBondContact CD1-OD1 3.34Å; I5-N9 WeakPolarHBondContact CG1-OD1 3.41Å; I5-N9 PolarHBondContact O-N 3.18Å; I5-N9 PolarHBondContact O-OD1 3.48Å; I5-N9 VanDerWaalsContact O-OD1 3.05Å; L6-N9 PolarHBondContact O-N 3.08Å; R7-N9 PolarHBondContact O-N 2.99Å; N9-E11 VanDerWaalsContact C-N 3.34Å; N9-E11 PolarHBondContact O-N 3.28Å; N9-F12 PolarHBondContact O-N 3.44Å; N9-V13 WeakPolarHBondContact O-CG2 3.17Å; N9-V13 PolarHBondContact O-N 3.36Å; N9-Y40 WeakPolarHBondContact OD1-CE2 3.47Å; N9-Y40 PolarHBondContact OD1-OH 2.99Å
10S86.1Confident81.6Confident68 Ų6865.6 Ų65.648%0.47639%0.389SS..Hα-helixtrans-64.1-36.9-179.971.70000113.1L6 R7 A14L6-S10 WeakPolarHBondContact O-CB 3.4Å; L6-S10 PolarHBondContact O-N 2.95Å; L6-S10 PolarHBondContact O-OG 2.95Å; R7-S10 PolarHBondContact O-N 3.04Å; R7-S10 VanDerWaalsContact O-N 3.11Å; R7-S10 PolarHBondContact O-OG 3.23Å; S10-A14 VanDerWaalsContact O-CB 3.32Å; S10-A14 WeakPolarHBondContact O-CB 3.13Å; S10-A14 PolarHBondContact O-N 2.96Å
11E86.1Confident80.2Confident86 Ų8665.5 Ų65.540%0.40240%0.402SS..Hα-helixtrans-68.7-39.7177.2-72.9177.7176.500111.2R7 C8 N9 A14 A15R7-E11 HydrophobicContact CG-CG 4.49Å; R7-E11 IonicContact CZ-OE1 3.22Å; R7-E11 IonicContact NE-OE1 2.64Å; R7-E11 PolarHBondContact NE-OE1 3.16Å; R7-E11 IonicContact NH2-OE1 3.73Å; R7-E11 PolarHBondContact NH2-OE1 2.98Å; R7-E11 WeakPolarHBondContact O-CG 3.39Å; R7-E11 PolarHBondContact O-N 3.1Å; C8-E11 PolarHBondContact O-N 3.16Å; N9-E11 VanDerWaalsContact C-N 3.34Å; N9-E11 PolarHBondContact O-N 3.28Å; E11-A14 PolarHBondContact O-N 3.32Å; E11-A15 WeakPolarHBondContact O-CB 3Å; E11-A15 PolarHBondContact O-N 3.16Å
12F89.2Confident79.6Confident24 Ų2463.1 Ų63.111%0.10539%0.392CS..Hα-helixtrans-64.3-46.6174.5176.1-109.3000112.3C8 N9 A14 A15 T16 Y33 A36 L37 Y40 L67C8-F12 PolarHBondContact O-N 2.95Å; C8-F12 VanDerWaalsContact O-N 3.1Å; N9-F12 PolarHBondContact O-N 3.44Å; F12-A14 PolarHBondContact O-N 2.79Å; F12-A15 PolarHBondContact O-N 3.34Å; F12-T16 HydrophobicContact CD2-CG2 4.13Å; F12-T16 HydrophobicContact CE2-CG2 3.64Å; F12-T16 HydrophobicContact CZ-CG2 3.88Å; F12-T16 WeakPolarHBondContact O-CG2 3.49Å; F12-T16 PolarHBondContact O-N 3.48Å; F12-T16 PolarHBondContact O-OG1 2.96Å; F12-Y33 HydrophobicContact CZ-CE2 4.36Å; F12-A36 HydrophobicContact CD2-CB 4.27Å; F12-A36 HydrophobicContact CE2-CB 4.26Å; F12-L37 HydrophobicContact CD2-CD2 4.43Å; F12-L37 HydrophobicContact CE2-CB 4.49Å; F12-L37 HydrophobicContact CE2-CD2 3.47Å; F12-L37 VanDerWaalsContact CE2-CD2 3.47Å; F12-L37 HydrophobicContact CE2-CG 3.76Å; F12-L37 HydrophobicContact CZ-CD2 3.54Å; F12-L37 HydrophobicContact CZ-CG 4.14Å; F12-Y40 HydrophobicContact CB-CD1 3.71Å; F12-Y40 HydrophobicContact CB-CD2 4.06Å; F12-Y40 HydrophobicContact CB-CE1 4.16Å; F12-Y40 HydrophobicContact CB-CE2 4.47Å; F12-Y40 HydrophobicContact CB-CG 3.68Å; F12-Y40 AromaticContact CD1-CD1 3.74Å; F12-Y40 HydrophobicContact CD1-CD1 3.74Å; F12-Y40 AromaticContact CD1-CE1 3.82Å; F12-Y40 HydrophobicContact CD1-CE1 3.82Å; F12-Y40 AromaticContact CD2-CD1 3.7Å; F12-Y40 HydrophobicContact CD2-CD1 3.7Å; F12-Y40 HydrophobicContact CD2-CG 4.05Å; F12-Y40 HydrophobicContact CE1-CD1 4.31Å; F12-Y40 HydrophobicContact CE1-CE1 4.42Å; F12-Y40 HydrophobicContact CE2-CD1 4.29Å; F12-Y40 AromaticContact CG-CD1 3.4Å; F12-Y40 HydrophobicContact CG-CD1 3.4Å; F12-Y40 AromaticContact CG-CE1 3.92Å; F12-Y40 HydrophobicContact CG-CE1 3.92Å; F12-Y40 AromaticContact CG-CG 3.84Å; F12-Y40 HydrophobicContact CG-CG 3.84Å; F12-L67 HydrophobicContact CE1-CD1 4.16Å; F12-L67 HydrophobicContact CZ-CD1 4.1Å
13V87.6Confident77.7Confident78 Ų7863 Ų6347%0.47340%0.401SS..Hα-helixtrans-59.3-48.8176.1172.40000109.9N9 A15 T16 V17N9-V13 WeakPolarHBondContact O-CG2 3.17Å; N9-V13 PolarHBondContact O-N 3.36Å; V13-A15 VanDerWaalsContact C-N 3.25Å; V13-A15 PolarHBondContact O-N 3.05Å; V13-T16 PolarHBondContact O-N 2.78Å; V13-T16 PolarHBondContact O-OG1 3.01Å; V13-V17 HydrophobicContact CG1-CG2 3.74Å; V13-V17 WeakPolarHBondContact O-CG2 3.16Å; V13-V17 PolarHBondContact O-N 3.36Å
14A80.9Confident75.5Confident54 Ų5469.9 Ų69.945%0.44644%0.435SS..Hα-helixtrans-58.5-36.2178.100000113.2S10 E11 F12 T16S10-A14 VanDerWaalsContact O-CB 3.32Å; S10-A14 WeakPolarHBondContact O-CB 3.13Å; S10-A14 PolarHBondContact O-N 2.96Å; E11-A14 PolarHBondContact O-N 3.32Å; F12-A14 PolarHBondContact O-N 2.79Å; A14-T16 VanDerWaalsContact C-N 3.29Å; A14-T16 PolarHBondContact O-N 3.07Å
15A80.5Confident73.5Confident37 Ų3769.6 Ų69.631%0.30645%0.447SS..Hα-helixtrans-73.5-17.5178.500000114E11 F12 V13 A36E11-A15 WeakPolarHBondContact O-CB 3Å; E11-A15 PolarHBondContact O-N 3.16Å; F12-A15 PolarHBondContact O-N 3.34Å; V13-A15 VanDerWaalsContact C-N 3.25Å; V13-A15 PolarHBondContact O-N 3.05Å; A15-A36 HydrophobicContact CB-CB 3.82Å
16T82.8Confident71.6Confident16 Ų1673 Ų7310%0.09848%0.475CS..Hα-helixtrans-115.6-18-171.352.10000114.2F12 V13 A14 H18 L19 S20 Y33 A36F12-T16 HydrophobicContact CD2-CG2 4.13Å; F12-T16 HydrophobicContact CE2-CG2 3.64Å; F12-T16 HydrophobicContact CZ-CG2 3.88Å; F12-T16 WeakPolarHBondContact O-CG2 3.49Å; F12-T16 PolarHBondContact O-N 3.48Å; F12-T16 PolarHBondContact O-OG1 2.96Å; V13-T16 PolarHBondContact O-N 2.78Å; V13-T16 PolarHBondContact O-OG1 3.01Å; A14-T16 VanDerWaalsContact C-N 3.29Å; A14-T16 PolarHBondContact O-N 3.07Å; T16-H18 PolarHBondContact O-N 3.16Å; T16-H18 VanDerWaalsContact O-N 3.16Å; T16-L19 WeakPolarHBondContact O-CB 3.47Å; T16-L19 PolarHBondContact O-N 2.03Å; T16-S20 PolarHBondContact O-OG 2.92Å; T16-Y33 HydrophobicContact CG2-CD2 3.56Å; T16-Y33 HydrophobicContact CG2-CE2 3.54Å; T16-A36 HydrophobicContact CG2-CB 3.92Å
17V77.8Confident69.7Low82 Ų8274.5 Ų74.550%0.49748%0.483SS..THydrogen-bonded Turntrans-54.7-33.1179.2159.40000113.7V13 S20V13-V17 HydrophobicContact CG1-CG2 3.74Å; V13-V17 WeakPolarHBondContact O-CG2 3.16Å; V13-V17 PolarHBondContact O-N 3.36Å; V17-S20 PolarHBondContact O-OG 3.46Å
18H67.9Low68.3Low122 Ų12273 Ų7357%0.56549%0.49SS*.THydrogen-bonded Turntrans-87.9-11179.8-64.2-72.6000113.9T16 S20 P86T16-H18 PolarHBondContact O-N 3.16Å; T16-H18 VanDerWaalsContact O-N 3.16Å; H18-S20 VanDerWaalsContact C-N 3.35Å; H18-P86 WeakPolarHBondContact NE2-CG 3.45Å
19L70.3Confident67.1Low49 Ų4974.4 Ų74.426%0.25750%0.499SS..THydrogen-bonded Turntrans-87.6-9.4-178.8-58.5177.7000112.2T16 S29 A32 Y33T16-L19 WeakPolarHBondContact O-CB 3.47Å; T16-L19 PolarHBondContact O-N 2.03Å; L19-S29 PolarHBondContact O-OG 3.38Å; L19-A32 HydrophobicContact CD1-CB 3.91Å; L19-A32 HydrophobicContact CD2-CB 3.95Å; L19-Y33 HydrophobicContact CD1-CD2 4.25Å
20S56.5Low66.3Low100 Ų10077 Ų7770%0.69951%0.513SS*.SBendtrans-90.9-3.9-177-0.80000114T16 V17 H18T16-S20 PolarHBondContact O-OG 2.92Å; V17-S20 PolarHBondContact O-OG 3.46Å; H18-S20 VanDerWaalsContact C-N 3.35Å
21G51Low66Low64 Ų6476.9 Ų76.966%0.6651%0.512SS*.SBendtrans-100.2107.2177.500000111.7
22G48.7Very low65.8Low89 Ų8974.3 Ų74.392%0.91851%0.506SS*.  trans-69.2138.9-172.600000115.5
23G42.2Very low65.7Low65 Ų6575 Ų7567%0.6751%0.508SS*.SBendtrans166.4106.8167.600000112.5A25G23-A25 PolarHBondContact O-N 3.21Å
24D41.5Very low65.8Low185 Ų18571.9 Ų71.999%0.98949%0.489SS*.SBendtrans565.9161.6-71.7-18.2000122.6
25A48.4Very low66.2Low60 Ų6070.2 Ų70.250%0.49647%0.474SS..  trans-128.840.2176.600000115.3G23 L27 S28 S29G23-A25 PolarHBondContact O-N 3.21Å; A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 3.11Å; A25-S28 PolarHBondContact O-N 3.39Å; A25-S28 VanDerWaalsContact O-N 3.1Å; A25-S29 PolarHBondContact O-N 3.1Å
26A50.3Low66.6Low74 Ų7468.6 Ų68.661%0.61246%0.461SS*.Hα-helixtrans-53.1-39.7-171.800000114.9S28 S29 D30A26-S28 PolarHBondContact O-N 2.93Å; A26-S29 PolarHBondContact O-N 3.42Å; A26-D30 PolarHBondContact O-N 3.32Å
27L48.9Very low67.1Low160 Ų16067.8 Ų67.884%0.83846%0.456SS*.Hα-helixtrans-70.9-29.6-178.6-70.9160.1000113.5A25A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 3.11Å
28S56.4Low67.7Low79 Ų7965 Ų6555%0.55244%0.437SS*.Hα-helixtrans-78.3-37.1176.2-1780000111.1A25 A26 S31 A32A25-S28 PolarHBondContact O-N 3.39Å; A25-S28 VanDerWaalsContact O-N 3.1Å; A26-S28 PolarHBondContact O-N 2.93Å; S28-S31 PolarHBondContact O-N 3.48Å; S28-S31 PolarHBondContact O-OG 3.07Å; S28-A32 WeakPolarHBondContact O-CB 3.45Å; S28-A32 PolarHBondContact O-N 3.31Å
29S66.5Low68.8Low31 Ų3160.8 Ų60.822%0.21742%0.42CS..Hα-helixtrans-62.4-44.5178.9-164.50000112.6L19 A25 A26 S31 A32 Y33L19-S29 PolarHBondContact O-OG 3.38Å; A25-S29 PolarHBondContact O-N 3.1Å; A26-S29 PolarHBondContact O-N 3.42Å; S29-S31 PolarHBondContact O-N 2.92Å; S29-A32 PolarHBondContact O-N 2.9Å; S29-Y33 WeakPolarHBondContact O-CB 3.38Å; S29-Y33 PolarHBondContact O-N 2.96Å
30D72.8Confident69.9Low95 Ų9559.5 Ų59.551%0.50841%0.412SS..Hα-helixtrans-65.2-40.5178.2-73.7-18.9000112.1A26 A32 Y33 C34A26-D30 PolarHBondContact O-N 3.32Å; D30-A32 VanDerWaalsContact C-N 3.33Å; D30-A32 PolarHBondContact O-N 3.26Å; D30-Y33 PolarHBondContact O-N 3.5Å; D30-C34 WeakPolarHBondContact O-CB 3.34Å; D30-C34 PolarHBondContact O-N 3.19Å; D30-C34 PolarHBondContact O-SG 3.17Å
31S79.8Confident71.6Confident65 Ų6555.9 Ų55.946%0.45539%0.387SS..Hα-helixtrans-65.5-35.9177.178.30000112.8S28 S29 S35S28-S31 PolarHBondContact O-N 3.48Å; S28-S31 PolarHBondContact O-OG 3.07Å; S29-S31 PolarHBondContact O-N 2.92Å; S31-S35 WeakPolarHBondContact O-CB 3.49Å; S31-S35 PolarHBondContact O-N 3.46Å; S31-S35 VanDerWaalsContact O-N 3.09Å; S31-S35 PolarHBondContact O-OG 2.97Å
32A82.3Confident73.5Confident31 Ų3156.3 Ų56.326%0.25637%0.374SS..Hα-helixtrans-71.3-41.7176.300000111.1L19 S28 S29 D30 S35 A36L19-A32 HydrophobicContact CD1-CB 3.91Å; L19-A32 HydrophobicContact CD2-CB 3.95Å; S28-A32 WeakPolarHBondContact O-CB 3.45Å; S28-A32 PolarHBondContact O-N 3.31Å; S29-A32 PolarHBondContact O-N 2.9Å; D30-A32 VanDerWaalsContact C-N 3.33Å; D30-A32 PolarHBondContact O-N 3.26Å; A32-S35 WeakPolarHBondContact O-CB 3.35Å; A32-S35 PolarHBondContact O-N 3.38Å; A32-A36 PolarHBondContact O-N 2.86Å
33Y87.1Confident75.6Confident40 Ų4053.3 Ų53.316%0.15734%0.339CS..Hα-helixtrans-62.1-45.8176-167.5-95.8000111.7F12 T16 L19 S29 D30 S35 A36 L37 H71F12-Y33 HydrophobicContact CZ-CE2 4.36Å; T16-Y33 HydrophobicContact CG2-CD2 3.56Å; T16-Y33 HydrophobicContact CG2-CE2 3.54Å; L19-Y33 HydrophobicContact CD1-CD2 4.25Å; S29-Y33 WeakPolarHBondContact O-CB 3.38Å; S29-Y33 PolarHBondContact O-N 2.96Å; D30-Y33 PolarHBondContact O-N 3.5Å; Y33-S35 VanDerWaalsContact C-N 3.29Å; Y33-S35 PolarHBondContact O-N 3.1Å; Y33-A36 WeakPolarHBondContact O-CB 3.39Å; Y33-A36 PolarHBondContact O-N 3.05Å; Y33-L37 HydrophobicContact CD1-CD1 3.76Å; Y33-L37 HydrophobicContact CD1-CG 4.28Å; Y33-L37 HydrophobicContact CE1-CD1 3.52Å; Y33-L37 HydrophobicContact CE1-CG 4.04Å; Y33-L37 PolarHBondContact O-N 3.33Å; Y33-H71 HydrophobicContact CD1-CB 4.19Å; Y33-H71 AromaticContact CD1-CG 3.82Å; Y33-H71 AromaticContact CD1-ND1 3.92Å; Y33-H71 HydrophobicContact CE1-CB 4.24Å; Y33-H71 AromaticContact CE1-CD2 3.35Å; Y33-H71 WeakPolarHBondContact CE1-CD2 3.34Å; Y33-H71 AromaticContact CE1-CE1 3.72Å; Y33-H71 AromaticContact CE1-CG 3.54Å; Y33-H71 AromaticContact CE1-ND1 3.79Å; Y33-H71 AromaticContact CE1-NE2 3.45Å; Y33-H71 WeakPolarHBondContact CE1-NE2 3.48Å; Y33-H71 AromaticContact CZ-NE2 3.77Å
34C89.8Confident78Confident12 Ų1250.4 Ų50.48%0.08131%0.308CS..Hα-helixtrans-62.7-35174.2-67.80000112.9D30 R38 C73D30-C34 WeakPolarHBondContact O-CB 3.34Å; D30-C34 PolarHBondContact O-N 3.19Å; D30-C34 PolarHBondContact O-SG 3.17Å; C34-R38 WeakPolarHBondContact O-CG 3.47Å; C34-R38 PolarHBondContact O-N 2.88Å; C34-C73 WeakPolarHBondContact CA-SG 3.44Å; C34-C73 HydrophobicContact CB-CB 3.62Å; C34-C73 WeakPolarHBondContact CB-SG 3.27Å; C34-C73 WeakPolarHBondContact SG-CA 3.37Å; C34-C73 WeakPolarHBondContact SG-CB 3.24Å; C34-C73 CovalentContact SG-SG 2.03Å; C34-C73 PolarHBondContact SG-SG 3.45Å
35S88.4Confident80.4Confident18 Ų1848.3 Ų48.313%0.12629%0.29CS..Hα-helixtrans-69.3-36.5175.2-58.70000112S31 A32 Y33 R38 S39 P78 A80S31-S35 WeakPolarHBondContact O-CB 3.49Å; S31-S35 PolarHBondContact O-N 3.46Å; S31-S35 VanDerWaalsContact O-N 3.09Å; S31-S35 PolarHBondContact O-OG 2.97Å; A32-S35 WeakPolarHBondContact O-CB 3.35Å; A32-S35 PolarHBondContact O-N 3.38Å; Y33-S35 VanDerWaalsContact C-N 3.29Å; Y33-S35 PolarHBondContact O-N 3.1Å; S35-R38 PolarHBondContact OG-NH2 3.37Å; S35-S39 PolarHBondContact O-N 3.44Å; S35-S39 VanDerWaalsContact O-N 3.15Å; S35-S39 PolarHBondContact O-OG 3.21Å; S35-P78 WeakPolarHBondContact CB-O 3.35Å; S35-P78 PolarHBondContact OG-O 3.45Å; S35-A80 PolarHBondContact O-N 2.75Å; S35-A80 VanDerWaalsContact O-N 3.09Å
36A89.8Confident82.4Confident3 Ų354 Ų543%0.02530%0.299CS..Hα-helixtrans-65.2-46.3172.800000111.7F12 A15 T16 A32 Y33 R38 S39 Y40F12-A36 HydrophobicContact CD2-CB 4.27Å; F12-A36 HydrophobicContact CE2-CB 4.26Å; A15-A36 HydrophobicContact CB-CB 3.82Å; T16-A36 HydrophobicContact CG2-CB 3.92Å; A32-A36 PolarHBondContact O-N 2.86Å; Y33-A36 WeakPolarHBondContact O-CB 3.39Å; Y33-A36 PolarHBondContact O-N 3.05Å; A36-R38 PolarHBondContact O-N 3.44Å; A36-S39 WeakPolarHBondContact O-CB 3.13Å; A36-S39 PolarHBondContact O-N 2.8Å; A36-S39 VanDerWaalsContact O-N 3.12Å; A36-Y40 PolarHBondContact O-N 3.18Å
37L91.9Very high84.2Confident0 Ų052.6 Ų52.60%028%0.28CS..Hα-helixtrans-59.6-42.1175.7-80.4173.4000112.9F12 Y33 S39 Y40 S41 L67 L68F12-L37 HydrophobicContact CD2-CD2 4.43Å; F12-L37 HydrophobicContact CE2-CB 4.49Å; F12-L37 HydrophobicContact CE2-CD2 3.47Å; F12-L37 VanDerWaalsContact CE2-CD2 3.47Å; F12-L37 HydrophobicContact CE2-CG 3.76Å; F12-L37 HydrophobicContact CZ-CD2 3.54Å; F12-L37 HydrophobicContact CZ-CG 4.14Å; Y33-L37 HydrophobicContact CD1-CD1 3.76Å; Y33-L37 HydrophobicContact CD1-CG 4.28Å; Y33-L37 HydrophobicContact CE1-CD1 3.52Å; Y33-L37 HydrophobicContact CE1-CG 4.04Å; Y33-L37 PolarHBondContact O-N 3.33Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.49Å; L37-Y40 PolarHBondContact O-N 3.13Å; L37-S41 PolarHBondContact O-N 2.96Å; L37-L67 HydrophobicContact CD1-CB 3.95Å; L37-L67 HydrophobicContact CD2-CB 3.58Å; L37-L67 HydrophobicContact CD2-CD1 3.83Å; L37-L67 HydrophobicContact CD2-CG 4.35Å; L37-L67 HydrophobicContact CG-CB 4.44Å; L37-L68 HydrophobicContact CB-CD2 3.98Å; L37-L68 HydrophobicContact CD1-CD2 4.3Å
38R91.8Very high86.2Confident24 Ų2446.8 Ų46.89%0.09126%0.255CS..Hα-helixtrans-61.9-39.1174.5-76.6-171.3-68.6-108.4-0.9112.2C34 S35 A36 S41 L42 P74 P78 T79C34-R38 WeakPolarHBondContact O-CG 3.47Å; C34-R38 PolarHBondContact O-N 2.88Å; S35-R38 PolarHBondContact OG-NH2 3.37Å; A36-R38 PolarHBondContact O-N 3.44Å; R38-S41 PolarHBondContact O-N 3.49Å; R38-L42 PolarHBondContact O-N 2.95Å; R38-P74 WeakPolarHBondContact CD-O 3.49Å; R38-P74 PolarHBondContact NH1-O 3.33Å; R38-P74 VanDerWaalsContact NH1-O 3.15Å; R38-P78 VanDerWaalsContact CZ-O 3.25Å; R38-P78 PolarHBondContact NE-O 3.07Å; R38-P78 PolarHBondContact NH2-O 2.67Å; R38-T79 HydrophobicContact CB-CG2 4.27Å
39S90.1Very high87.9Confident32 Ų3253.1 Ų53.122%0.22427%0.267CS..Hα-helixtrans-67.1-41.8177.8-49.40000111.2S35 A36 L37 L42 C43 T79 A80S35-S39 PolarHBondContact O-N 3.44Å; S35-S39 VanDerWaalsContact O-N 3.15Å; S35-S39 PolarHBondContact O-OG 3.21Å; A36-S39 WeakPolarHBondContact O-CB 3.13Å; A36-S39 PolarHBondContact O-N 2.8Å; A36-S39 VanDerWaalsContact O-N 3.12Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.49Å; S39-L42 PolarHBondContact O-N 3.48Å; S39-C43 PolarHBondContact O-N 3.44Å; S39-T79 WeakPolarHBondContact OG-CB 3.42Å; S39-A80 WeakPolarHBondContact OG-CB 3.49Å; S39-A80 PolarHBondContact OG-N 3.08Å
40Y92.8Very high89.1Confident23 Ų2353.6 Ų53.69%0.0927%0.269CS..Hα-helixtrans-62.3-44.6175.6-172.8-158000111.5C8 N9 F12 A36 L37 L42 C43 T44 A60 I64C8-Y40 HydrophobicContact CB-CD2 3.91Å; C8-Y40 HydrophobicContact CB-CE2 3.79Å; N9-Y40 WeakPolarHBondContact OD1-CE2 3.47Å; N9-Y40 PolarHBondContact OD1-OH 2.99Å; F12-Y40 HydrophobicContact CB-CD1 3.71Å; F12-Y40 HydrophobicContact CB-CD2 4.06Å; F12-Y40 HydrophobicContact CB-CE1 4.16Å; F12-Y40 HydrophobicContact CB-CE2 4.47Å; F12-Y40 HydrophobicContact CB-CG 3.68Å; F12-Y40 AromaticContact CD1-CD1 3.74Å; F12-Y40 HydrophobicContact CD1-CD1 3.74Å; F12-Y40 AromaticContact CD1-CE1 3.82Å; F12-Y40 HydrophobicContact CD1-CE1 3.82Å; F12-Y40 AromaticContact CD2-CD1 3.7Å; F12-Y40 HydrophobicContact CD2-CD1 3.7Å; F12-Y40 HydrophobicContact CD2-CG 4.05Å; F12-Y40 HydrophobicContact CE1-CD1 4.31Å; F12-Y40 HydrophobicContact CE1-CE1 4.42Å; F12-Y40 HydrophobicContact CE2-CD1 4.29Å; F12-Y40 AromaticContact CG-CD1 3.4Å; F12-Y40 HydrophobicContact CG-CD1 3.4Å; F12-Y40 AromaticContact CG-CE1 3.92Å; F12-Y40 HydrophobicContact CG-CE1 3.92Å; F12-Y40 AromaticContact CG-CG 3.84Å; F12-Y40 HydrophobicContact CG-CG 3.84Å; A36-Y40 PolarHBondContact O-N 3.18Å; L37-Y40 PolarHBondContact O-N 3.13Å; Y40-L42 VanDerWaalsContact C-N 3.33Å; Y40-L42 PolarHBondContact O-N 3.06Å; Y40-C43 WeakPolarHBondContact O-CB 3.36Å; Y40-C43 PolarHBondContact O-N 2.75Å; Y40-T44 HydrophobicContact CD2-CG2 4Å; Y40-T44 HydrophobicContact CE2-CG2 3.8Å; Y40-T44 WeakPolarHBondContact O-CG2 3.34Å; Y40-T44 PolarHBondContact O-N 3.26Å; Y40-T44 PolarHBondContact O-OG1 3.01Å; Y40-A60 HydrophobicContact CE2-CB 4.48Å; Y40-A60 WeakPolarHBondContact OH-CB 3.03Å; Y40-I64 HydrophobicContact CD1-CD1 3.6Å; Y40-I64 HydrophobicContact CD1-CG1 3.3Å; Y40-I64 HydrophobicContact CD2-CD1 3.91Å; Y40-I64 HydrophobicContact CE1-CD1 3.69Å; Y40-I64 HydrophobicContact CE1-CG1 3.39Å; Y40-I64 HydrophobicContact CE2-CD1 4Å; Y40-I64 HydrophobicContact CG-CD1 3.69Å; Y40-I64 HydrophobicContact CG-CG1 3.9Å
41S93.3Very high90Very high24 Ų2449.1 Ų49.117%0.16825%0.245CC..Hα-helixtrans-58.2-40.9173-172.50000113L37 R38 T44 K45L37-S41 PolarHBondContact O-N 2.96Å; R38-S41 PolarHBondContact O-N 3.49Å; S41-T44 PolarHBondContact O-OG1 3.42Å; S41-T44 VanDerWaalsContact O-OG1 3.07Å; S41-K45 WeakPolarHBondContact O-CB 3.12Å; S41-K45 VanDerWaalsContact O-CG 3.26Å; S41-K45 WeakPolarHBondContact O-CG 3.07Å; S41-K45 PolarHBondContact O-N 2.04Å
42L91.4Very high90.6Very high73 Ų7354.8 Ų54.838%0.38226%0.256SS..Hα-helixtrans-68.3-40.2177.3-173.565.6000111.8R38 S39 Y40 K45 R46 T79R38-L42 PolarHBondContact O-N 2.95Å; S39-L42 PolarHBondContact O-N 3.48Å; Y40-L42 VanDerWaalsContact C-N 3.33Å; Y40-L42 PolarHBondContact O-N 3.06Å; L42-K45 PolarHBondContact O-N 3Å; L42-R46 WeakPolarHBondContact O-CG 3.32Å; L42-R46 PolarHBondContact O-N 3.1Å; L42-T79 HydrophobicContact CD2-CG2 4.47Å
43C91.6Very high91Very high26 Ų2657.3 Ų57.318%0.17629%0.286CS..Hα-helixtrans-60.4-49.8176.5-168.70000111.1C8 S39 Y40 K45 R46 M47C8-C43 VanDerWaalsContact CA-SG 3.52Å; C8-C43 HydrophobicContact CB-CB 3.81Å; C8-C43 WeakPolarHBondContact CB-SG 3.45Å; C8-C43 VanDerWaalsContact SG-C 3.54Å; C8-C43 WeakPolarHBondContact SG-CB 3.46Å; C8-C43 CovalentContact SG-SG 2.04Å; C8-C43 PolarHBondContact SG-SG 3.11Å; S39-C43 PolarHBondContact O-N 3.44Å; Y40-C43 WeakPolarHBondContact O-CB 3.36Å; Y40-C43 PolarHBondContact O-N 2.75Å; C43-K45 PolarHBondContact O-N 3.48Å; C43-R46 PolarHBondContact O-N 3.36Å; C43-M47 WeakPolarHBondContact O-CG 3.41Å; C43-M47 PolarHBondContact O-N 2.89Å
44T93.1Very high91.3Very high4 Ų457.8 Ų57.83%0.02529%0.291CS..Hα-helixtrans-65.1-37.3178.757.80000111.9I5 C8 Y40 S41 R46 M47 A48 Y57 I64I5-T44 HydrophobicContact CD1-CG2 3.74Å; C8-T44 HydrophobicContact CB-CG2 4.36Å; Y40-T44 HydrophobicContact CD2-CG2 4Å; Y40-T44 HydrophobicContact CE2-CG2 3.8Å; Y40-T44 WeakPolarHBondContact O-CG2 3.34Å; Y40-T44 PolarHBondContact O-N 3.26Å; Y40-T44 PolarHBondContact O-OG1 3.01Å; S41-T44 PolarHBondContact O-OG1 3.42Å; S41-T44 VanDerWaalsContact O-OG1 3.07Å; T44-R46 VanDerWaalsContact C-N 3.33Å; T44-R46 PolarHBondContact O-N 3.46Å; T44-M47 CarbonylContact O-C 3.5Å; T44-M47 WeakPolarHBondContact O-CA 3.03Å; T44-M47 PolarHBondContact O-N 3.19Å; T44-A48 PolarHBondContact O-N 3.2Å; T44-Y57 VanDerWaalsContact O-CE2 3.28Å; T44-Y57 WeakPolarHBondContact O-CE2 3.46Å; T44-I64 HydrophobicContact CG2-CD1 3.62Å
45K91.6Very high91.4Very high141 Ų14163.9 Ų63.961%0.61332%0.322SS*.Hα-helixtrans-58.5-40.8173.6-78.2173.5-178.3176.80113.2S41 L42 C43 M47 A48S41-K45 WeakPolarHBondContact O-CB 3.12Å; S41-K45 VanDerWaalsContact O-CG 3.26Å; S41-K45 WeakPolarHBondContact O-CG 3.07Å; S41-K45 PolarHBondContact O-N 2.04Å; L42-K45 PolarHBondContact O-N 3Å; C43-K45 PolarHBondContact O-N 3.48Å; K45-M47 PolarHBondContact O-N 3.25Å; K45-A48 WeakPolarHBondContact O-CB 3.21Å; K45-A48 PolarHBondContact O-N 3.28Å
46R90.6Very high91.5Very high179 Ų17964.7 Ų64.768%0.67533%0.33SS*.Hα-helixtrans-65.8-28.3175.4-68.1177.1-174173.41.4112.3L42 C43 T44L42-R46 WeakPolarHBondContact O-CG 3.32Å; L42-R46 PolarHBondContact O-N 3.1Å; C43-R46 PolarHBondContact O-N 3.36Å; T44-R46 VanDerWaalsContact C-N 3.33Å; T44-R46 PolarHBondContact O-N 3.46Å
47M88.4Confident91.8Very high44 Ų4465.8 Ų65.822%0.21733%0.333CS..Hα-helixtrans-86.5-1.3-179.4-65.3-59.7105.200114.2R4 C43 T44 K45 R49 P50 C51 Y57R4-M47 HydrophobicContact CB-SD 4.19Å; C43-M47 WeakPolarHBondContact O-CG 3.41Å; C43-M47 PolarHBondContact O-N 2.89Å; T44-M47 CarbonylContact O-C 3.5Å; T44-M47 WeakPolarHBondContact O-CA 3.03Å; T44-M47 PolarHBondContact O-N 3.19Å; K45-M47 PolarHBondContact O-N 3.25Å; M47-R49 VanDerWaalsContact C-N 3.31Å; M47-R49 PolarHBondContact O-N 3.47Å; M47-P50 WeakPolarHBondContact O-CD 3.45Å; M47-P50 WeakPolarHBondContact O-CG 3.45Å; M47-P50 HydrophobicContact SD-CG 4.2Å; M47-C51 WeakPolarHBondContact O-CB 3.2Å; M47-C51 PolarHBondContact O-N 3.4Å; M47-Y57 HydrophobicContact CB-CD2 4.47Å; M47-Y57 HydrophobicContact CB-CE2 4.34Å
48A91.3Very high91.9Very high38 Ų3870.4 Ų70.431%0.31436%0.355SS..THydrogen-bonded Turntrans-58.7-35.5-174.700000114.8T44 K45 R52 Y57T44-A48 PolarHBondContact O-N 3.2Å; K45-A48 WeakPolarHBondContact O-CB 3.21Å; K45-A48 PolarHBondContact O-N 3.28Å; A48-R52 VanDerWaalsContact O-CG 3.28Å; A48-R52 WeakPolarHBondContact O-CG 3.41Å; A48-Y57 WeakPolarHBondContact CA-OH 3.35Å; A48-Y57 WeakPolarHBondContact CB-OH 3.16Å
49R90.8Very high91.9Very high212 Ų21272.8 Ų72.880%0.838%0.375SS*.THydrogen-bonded Turntrans-75.2-53.1177.1-68.1-175.9-178-170.70.5112.8M47 C51M47-R49 VanDerWaalsContact C-N 3.31Å; M47-R49 PolarHBondContact O-N 3.47Å; R49-C51 VanDerWaalsContact C-N 3.33Å; R49-C51 PolarHBondContact O-N 3.18Å
50P91.9Very high92.1Very high41 Ų4171.6 Ų71.627%0.26637%0.367SS..THydrogen-bonded Turntrans-71.8-21.4-179.227.3-36.2000114.3A1 C3 M47A1-P50 HydrophobicContact CB-CB 4.35Å; C3-P50 WeakPolarHBondContact CB-O 3.37Å; M47-P50 WeakPolarHBondContact O-CD 3.45Å; M47-P50 WeakPolarHBondContact O-CG 3.45Å; M47-P50 HydrophobicContact SD-CG 4.2Å
51C92.9Very high92.1Very high1 Ų172.6 Ų72.61%0.00738%0.375CS..THydrogen-bonded Turntrans-103.919.3-175.9-64.30000115.4C3 M47 R49 G53 D54 Y57C3-C51 WeakPolarHBondContact CA-SG 3.31Å; C3-C51 HydrophobicContact CB-CB 3.94Å; C3-C51 WeakPolarHBondContact CB-SG 3.24Å; C3-C51 VanDerWaalsContact SG-CA 3.52Å; C3-C51 WeakPolarHBondContact SG-CB 3.29Å; C3-C51 CovalentContact SG-SG 2.03Å; C3-C51 PolarHBondContact SG-SG 3.36Å; M47-C51 WeakPolarHBondContact O-CB 3.2Å; M47-C51 PolarHBondContact O-N 3.4Å; R49-C51 VanDerWaalsContact C-N 3.33Å; R49-C51 PolarHBondContact O-N 3.18Å; C51-G53 PolarHBondContact O-N 3.18Å; C51-G53 VanDerWaalsContact O-N 3.11Å; C51-D54 HydrophobicContact CB-CB 4.18Å; C51-D54 PolarHBondContact O-N 3.46Å; C51-D54 VanDerWaalsContact O-N 3.07Å; C51-Y57 HydrophobicContact CB-CD1 4.13Å; C51-Y57 HydrophobicContact CB-CD2 3.64Å; C51-Y57 HydrophobicContact CB-CE2 4.35Å; C51-Y57 HydrophobicContact CB-CG 3.53Å
52R91.9Very high92Very high184 Ų18476.3 Ų76.369%0.69439%0.39SS*.THydrogen-bonded Turntrans-53.4-36-175.5-76.8-177.5174.9171.7-3.1114.6A48 H58A48-R52 VanDerWaalsContact O-CG 3.28Å; A48-R52 WeakPolarHBondContact O-CG 3.41Å; R52-H58 PolarHBondContact O-NE2 3.21Å
53G90.7Very high92.1Very high84 Ų8474 Ų7487%0.86638%0.384SS*.THydrogen-bonded Turntrans-102.711.3-178.900000114.8C51C51-G53 PolarHBondContact O-N 3.18Å; C51-G53 VanDerWaalsContact O-N 3.11Å
54D93.3Very high92.2Very high51 Ų5172.9 Ų72.927%0.27338%0.376SS..  trans-94122-177.1-172.9-63.8000110.6C3 I5 C51 A56 Y57 H58C3-D54 PolarHBondContact SG-OD2 3.46Å; I5-D54 WeakPolarHBondContact CG2-OD1 3.36Å; C51-D54 HydrophobicContact CB-CB 4.18Å; C51-D54 PolarHBondContact O-N 3.46Å; C51-D54 VanDerWaalsContact O-N 3.07Å; D54-A56 WeakPolarHBondContact OD1-CA 3.41Å; D54-A56 VanDerWaalsContact OD1-CB 3.31Å; D54-A56 WeakPolarHBondContact OD1-CB 3.48Å; D54-A56 PolarHBondContact OD1-N 3.29Å; D54-Y57 WeakPolarHBondContact O-CB 3.28Å; D54-Y57 PolarHBondContact O-N 3.07Å; D54-Y57 PolarHBondContact OD1-N 2.98Å; D54-H58 PolarHBondContact O-CD2 2.95Å; D54-H58 PolarHBondContact O-N 3.1Å
55L92.8Very high92.1Very high139 Ų13976.9 Ų76.973%0.72840%0.395SS*.Hα-helixtrans-66.3-39.7-178.9-178.363.8000112.1Y57 H58 S59L55-Y57 PolarHBondContact O-N 3.22Å; L55-H58 PolarHBondContact O-N 3.01Å; L55-S59 PolarHBondContact O-N 3.35Å; L55-S59 PolarHBondContact O-OG 3.23Å; L55-S59 VanDerWaalsContact O-OG 3.08Å
56A90.6Very high92.1Very high35 Ų3573.3 Ų73.329%0.28938%0.382SS..Hα-helixtrans-65.1-30.918000000111.2I5 D54 A60I5-A56 HydrophobicContact CG2-CB 3.98Å; D54-A56 WeakPolarHBondContact OD1-CA 3.41Å; D54-A56 VanDerWaalsContact OD1-CB 3.31Å; D54-A56 WeakPolarHBondContact OD1-CB 3.48Å; D54-A56 PolarHBondContact OD1-N 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.44Å; A56-A60 PolarHBondContact O-N 3.44Å
57Y94.7Very high92.1Very high26 Ų2666.6 Ų66.610%0.10236%0.36CS..Hα-helixtrans-61.5-51.4171172-97.3000112.4I5 T44 M47 A48 C51 D54 L55 S59 A60 V61I5-Y57 HydrophobicContact CD1-CD2 4.15Å; T44-Y57 VanDerWaalsContact O-CE2 3.28Å; T44-Y57 WeakPolarHBondContact O-CE2 3.46Å; M47-Y57 HydrophobicContact CB-CD2 4.47Å; M47-Y57 HydrophobicContact CB-CE2 4.34Å; A48-Y57 WeakPolarHBondContact CA-OH 3.35Å; A48-Y57 WeakPolarHBondContact CB-OH 3.16Å; C51-Y57 HydrophobicContact CB-CD1 4.13Å; C51-Y57 HydrophobicContact CB-CD2 3.64Å; C51-Y57 HydrophobicContact CB-CE2 4.35Å; C51-Y57 HydrophobicContact CB-CG 3.53Å; D54-Y57 WeakPolarHBondContact O-CB 3.28Å; D54-Y57 PolarHBondContact O-N 3.07Å; D54-Y57 PolarHBondContact OD1-N 2.98Å; L55-Y57 PolarHBondContact O-N 3.22Å; Y57-S59 PolarHBondContact O-N 3.39Å; Y57-A60 WeakPolarHBondContact O-CB 3.49Å; Y57-A60 PolarHBondContact O-N 3.32Å; Y57-V61 HydrophobicContact CD1-CG2 4.47Å; Y57-V61 HydrophobicContact CD2-CG2 4.31Å; Y57-V61 HydrophobicContact CE1-CG2 3.98Å; Y57-V61 HydrophobicContact CE2-CG2 3.78Å; Y57-V61 WeakPolarHBondContact O-CG2 3.5Å; Y57-V61 PolarHBondContact O-N 3.3Å
58H93.8Very high92.2Very high98 Ų9865.3 Ų65.345%0.45435%0.353SS..Hα-helixtrans-66-39.5-179.4-68.6-65.6000111.8R52 D54 L55 A60 V61 Q62R52-H58 PolarHBondContact O-NE2 3.21Å; D54-H58 PolarHBondContact O-CD2 2.95Å; D54-H58 PolarHBondContact O-N 3.1Å; L55-H58 PolarHBondContact O-N 3.01Å; H58-A60 VanDerWaalsContact C-N 3.33Å; H58-A60 PolarHBondContact O-N 3.44Å; H58-V61 PolarHBondContact O-N 2.03Å; H58-Q62 PolarHBondContact O-N 2.94Å; H58-Q62 VanDerWaalsContact O-N 3.1Å
59S93.3Very high92.1Very high73 Ų7369.3 Ų69.351%0.5137%0.369SS..Hα-helixtrans-60.6-41.7172.5-58.40000112.3L55 Y57 G63L55-S59 PolarHBondContact O-N 3.35Å; L55-S59 PolarHBondContact O-OG 3.23Å; L55-S59 VanDerWaalsContact O-OG 3.08Å; Y57-S59 PolarHBondContact O-N 3.39Å; S59-G63 PolarHBondContact O-N 2.91Å
60A92.6Very high91.9Very high8 Ų865.7 Ų65.77%0.06636%0.361CS..Hα-helixtrans-66.6-44.7177.800000112.6I5 Y40 A56 Y57 H58 Q62 G63 I64I5-A60 HydrophobicContact CD1-CB 3.62Å; I5-A60 HydrophobicContact CG1-CB 4.17Å; Y40-A60 HydrophobicContact CE2-CB 4.48Å; Y40-A60 WeakPolarHBondContact OH-CB 3.03Å; A56-A60 WeakPolarHBondContact O-CB 3.44Å; A56-A60 PolarHBondContact O-N 3.44Å; Y57-A60 WeakPolarHBondContact O-CB 3.49Å; Y57-A60 PolarHBondContact O-N 3.32Å; H58-A60 VanDerWaalsContact C-N 3.33Å; H58-A60 PolarHBondContact O-N 3.44Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; A60-Q62 PolarHBondContact O-N 3.41Å; A60-G63 PolarHBondContact O-N 2.91Å; A60-I64 WeakPolarHBondContact O-CD1 3.26Å; A60-I64 WeakPolarHBondContact O-CG1 3.37Å; A60-I64 PolarHBondContact O-N 3.36Å
61V94.1Very high91.7Very high43 Ų4367.6 Ų67.626%0.26137%0.366SS..Hα-helixtrans-59.6-46.5178.2170.50000110.7Y57 H58 I64 E65Y57-V61 HydrophobicContact CD1-CG2 4.47Å; Y57-V61 HydrophobicContact CD2-CG2 4.31Å; Y57-V61 HydrophobicContact CE1-CG2 3.98Å; Y57-V61 HydrophobicContact CE2-CG2 3.78Å; Y57-V61 WeakPolarHBondContact O-CG2 3.5Å; Y57-V61 PolarHBondContact O-N 3.3Å; H58-V61 PolarHBondContact O-N 2.03Å; V61-I64 PolarHBondContact O-N 3.13Å; V61-E65 PolarHBondContact O-N 2.75Å
62Q91.7Very high91.6Very high102 Ų10278.5 Ų78.548%0.47741%0.407SS..Hα-helixtrans-62.3-48.4176.2-172.86236.700111.6H58 A60 I64 E65 D66H58-Q62 PolarHBondContact O-N 2.94Å; H58-Q62 VanDerWaalsContact O-N 3.1Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; A60-Q62 PolarHBondContact O-N 3.41Å; Q62-I64 VanDerWaalsContact C-N 3.26Å; Q62-I64 PolarHBondContact O-N 2.86Å; Q62-E65 PolarHBondContact O-N 2.71Å; Q62-E65 VanDerWaalsContact O-N 3.07Å; Q62-D66 PolarHBondContact NE2-OD1 3.3Å; Q62-D66 PolarHBondContact O-N 3.14Å; Q62-D66 VanDerWaalsContact O-N 3.1Å
63G92.3Very high91.5Very high24 Ų2470.1 Ų70.125%0.24738%0.376CS..Hα-helixtrans-60.8-33.6179.600000113.3S59 A60 D66 L67S59-G63 PolarHBondContact O-N 2.91Å; A60-G63 PolarHBondContact O-N 2.91Å; G63-D66 PolarHBondContact O-N 2.91Å; G63-L67 WeakPolarHBondContact O-CB 3.44Å; G63-L67 WeakPolarHBondContact O-CD1 3.27Å; G63-L67 WeakPolarHBondContact O-CG 3.24Å; G63-L67 PolarHBondContact O-N 3.23Å
64I93.9Very high91.3Very high4 Ų469.9 Ų69.92%0.02136%0.36CS..Hα-helixtrans-63.7-43.6174.5-71.1159.8000111.1Y40 T44 A60 V61 Q62 L67 L68Y40-I64 HydrophobicContact CD1-CD1 3.6Å; Y40-I64 HydrophobicContact CD1-CG1 3.3Å; Y40-I64 HydrophobicContact CD2-CD1 3.91Å; Y40-I64 HydrophobicContact CE1-CD1 3.69Å; Y40-I64 HydrophobicContact CE1-CG1 3.39Å; Y40-I64 HydrophobicContact CE2-CD1 4Å; Y40-I64 HydrophobicContact CG-CD1 3.69Å; Y40-I64 HydrophobicContact CG-CG1 3.9Å; T44-I64 HydrophobicContact CG2-CD1 3.62Å; A60-I64 WeakPolarHBondContact O-CD1 3.26Å; A60-I64 WeakPolarHBondContact O-CG1 3.37Å; A60-I64 PolarHBondContact O-N 3.36Å; V61-I64 PolarHBondContact O-N 3.13Å; Q62-I64 VanDerWaalsContact C-N 3.26Å; Q62-I64 PolarHBondContact O-N 2.86Å; I64-L67 PolarHBondContact O-N 2.81Å; I64-L68 HydrophobicContact CG2-CD1 3.98Å; I64-L68 HydrophobicContact CG2-CG 4.42Å; I64-L68 WeakPolarHBondContact O-CB 3.28Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.37Å; I64-L68 PolarHBondContact O-N 3.47Å
65E90.3Very high90.9Very high87 Ų8776.6 Ų76.641%0.40738%0.381SS..Hα-helixtrans-63.8-43.8179.2-67.3-168.916200111.4V61 Q62 L68 I69V61-E65 PolarHBondContact O-N 2.75Å; Q62-E65 PolarHBondContact O-N 2.71Å; Q62-E65 VanDerWaalsContact O-N 3.07Å; E65-L68 PolarHBondContact O-N 3.17Å; E65-I69 WeakPolarHBondContact O-CG1 3.22Å; E65-I69 PolarHBondContact O-N 3.01Å; E65-I69 VanDerWaalsContact O-N 3.17Å
66D91.8Very high90.4Very high67 Ų6774 Ų7436%0.35838%0.379SS..Hα-helixtrans-62.1-46177.2-64.6-21.4000111.2Q62 G63 L68 I69 Q70Q62-D66 PolarHBondContact NE2-OD1 3.3Å; Q62-D66 PolarHBondContact O-N 3.14Å; Q62-D66 VanDerWaalsContact O-N 3.1Å; G63-D66 PolarHBondContact O-N 2.91Å; D66-L68 PolarHBondContact O-N 2.71Å; D66-I69 PolarHBondContact O-N 3.26Å; D66-Q70 WeakPolarHBondContact O-CB 3.32Å; D66-Q70 VanDerWaalsContact O-CG 3.24Å; D66-Q70 WeakPolarHBondContact O-CG 3.44Å; D66-Q70 PolarHBondContact O-N 2.94Å
67L91.5Very high89.8Confident38 Ų3874.5 Ų74.520%0.19939%0.389CS..Hα-helixtrans-65.7-36.6179.4-72.1170.7000112.7F12 L37 G63 I64 I69 Q70 H71F12-L67 HydrophobicContact CE1-CD1 4.16Å; F12-L67 HydrophobicContact CZ-CD1 4.1Å; L37-L67 HydrophobicContact CD1-CB 3.95Å; L37-L67 HydrophobicContact CD2-CB 3.58Å; L37-L67 HydrophobicContact CD2-CD1 3.83Å; L37-L67 HydrophobicContact CD2-CG 4.35Å; L37-L67 HydrophobicContact CG-CB 4.44Å; G63-L67 WeakPolarHBondContact O-CB 3.44Å; G63-L67 WeakPolarHBondContact O-CD1 3.27Å; G63-L67 WeakPolarHBondContact O-CG 3.24Å; G63-L67 PolarHBondContact O-N 3.23Å; I64-L67 PolarHBondContact O-N 2.81Å; L67-I69 VanDerWaalsContact C-N 3.29Å; L67-I69 PolarHBondContact O-N 2.71Å; L67-Q70 PolarHBondContact O-N 3.36Å; L67-H71 PolarHBondContact O-CD2 3.06Å; L67-H71 PolarHBondContact O-N 3.14Å
68L89.8Confident89.1Confident16 Ų1677.9 Ų77.98%0.08441%0.414CS..Hα-helixtrans-62.5-38174.3-76169.1000111.6L37 I64 E65 D66 R72 C73 R75L37-L68 HydrophobicContact CB-CD2 3.98Å; L37-L68 HydrophobicContact CD1-CD2 4.3Å; I64-L68 HydrophobicContact CG2-CD1 3.98Å; I64-L68 HydrophobicContact CG2-CG 4.42Å; I64-L68 WeakPolarHBondContact O-CB 3.28Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.37Å; I64-L68 PolarHBondContact O-N 3.47Å; E65-L68 PolarHBondContact O-N 3.17Å; D66-L68 PolarHBondContact O-N 2.71Å; L68-R72 PolarHBondContact O-N 3.02Å; L68-C73 HydrophobicContact CD2-CB 3.56Å; L68-C73 PolarHBondContact O-N 3.05Å; L68-R75 HydrophobicContact CD1-CG 4.44Å
69I88.9Confident88.4Confident123 Ų12376.5 Ų76.563%0.63141%0.412SS*.Hα-helixtrans-71.9-49.7177.2-66.2166000110.4E65 D66 L67 H71 R72E65-I69 WeakPolarHBondContact O-CG1 3.22Å; E65-I69 PolarHBondContact O-N 3.01Å; E65-I69 VanDerWaalsContact O-N 3.17Å; D66-I69 PolarHBondContact O-N 3.26Å; L67-I69 VanDerWaalsContact C-N 3.29Å; L67-I69 PolarHBondContact O-N 2.71Å; I69-H71 VanDerWaalsContact C-N 3.3Å; I69-H71 PolarHBondContact O-N 2.83Å; I69-R72 PolarHBondContact O-N 2.82Å; I69-R72 VanDerWaalsContact O-N 3.13Å
70Q88.4Confident87.2Confident136 Ų13674.7 Ų74.764%0.63640%0.402SS*.Hα-helixtrans-57-43.1-178-74.1172.414.600112.1D66 L67D66-Q70 WeakPolarHBondContact O-CB 3.32Å; D66-Q70 VanDerWaalsContact O-CG 3.24Å; D66-Q70 WeakPolarHBondContact O-CG 3.44Å; D66-Q70 PolarHBondContact O-N 2.94Å; L67-Q70 PolarHBondContact O-N 3.36Å
71H86.4Confident85.6Confident80 Ų8084.9 Ų84.937%0.3744%0.438SS..THydrogen-bonded Turntrans-95.510.1-178.5-66.7-90.6000113.8Y33 L67 I69 C73Y33-H71 HydrophobicContact CD1-CB 4.19Å; Y33-H71 AromaticContact CD1-CG 3.82Å; Y33-H71 AromaticContact CD1-ND1 3.92Å; Y33-H71 HydrophobicContact CE1-CB 4.24Å; Y33-H71 AromaticContact CE1-CD2 3.35Å; Y33-H71 WeakPolarHBondContact CE1-CD2 3.34Å; Y33-H71 AromaticContact CE1-CE1 3.72Å; Y33-H71 AromaticContact CE1-CG 3.54Å; Y33-H71 AromaticContact CE1-ND1 3.79Å; Y33-H71 AromaticContact CE1-NE2 3.45Å; Y33-H71 WeakPolarHBondContact CE1-NE2 3.48Å; Y33-H71 AromaticContact CZ-NE2 3.77Å; L67-H71 PolarHBondContact O-CD2 3.06Å; L67-H71 PolarHBondContact O-N 3.14Å; I69-H71 VanDerWaalsContact C-N 3.3Å; I69-H71 PolarHBondContact O-N 2.83Å; H71-C73 PolarHBondContact O-N 2.88Å; H71-C73 VanDerWaalsContact O-N 3.14Å
72R90.5Very high83.6Confident230 Ų23088.9 Ų88.987%0.86847%0.465SS*.THydrogen-bonded Turntrans50.338.6179.6-59.4-179.4177.9167.2-0.3113.2L68 I69L68-R72 PolarHBondContact O-N 3.02Å; I69-R72 PolarHBondContact O-N 2.82Å; I69-R72 VanDerWaalsContact O-N 3.13Å
73C89.8Confident81.2Confident9 Ų993 Ų936%0.06148%0.476CS..  trans-82.6126.8-175.8-67.70000111.3C34 L68 H71 R75C34-C73 WeakPolarHBondContact CA-SG 3.44Å; C34-C73 HydrophobicContact CB-CB 3.62Å; C34-C73 WeakPolarHBondContact CB-SG 3.27Å; C34-C73 WeakPolarHBondContact SG-CA 3.37Å; C34-C73 WeakPolarHBondContact SG-CB 3.24Å; C34-C73 CovalentContact SG-SG 2.03Å; C34-C73 PolarHBondContact SG-SG 3.45Å; L68-C73 HydrophobicContact CD2-CB 3.56Å; L68-C73 PolarHBondContact O-N 3.05Å; H71-C73 PolarHBondContact O-N 2.88Å; H71-C73 VanDerWaalsContact O-N 3.14Å; C73-R75 PolarHBondContact O-N 2.83Å
74P87.9Confident78.8Confident79 Ų7996.6 Ų96.651%0.51350%0.496SS..  trans-67.2133174.624.2-28.7000110.3R38 A76R38-P74 WeakPolarHBondContact CD-O 3.49Å; R38-P74 PolarHBondContact NH1-O 3.33Å; R38-P74 VanDerWaalsContact NH1-O 3.15Å; P74-A76 PolarHBondContact O-N 3.14Å
75R84.5Confident76.3Confident191 Ų191105.8 Ų105.872%0.72153%0.53SS*.SBendtrans-61.5-28.6-179.1-68.4-178.4176.5-169.9-4.8112.9L68 C73L68-R75 HydrophobicContact CD1-CG 4.44Å; C73-R75 PolarHBondContact O-N 2.83Å
76A81.5Confident73.8Confident84 Ų84105.1 Ų105.169%0.69453%0.534SS*.SBendtrans-105.3145.6174.100000110.3P74P74-A76 PolarHBondContact O-N 3.14Å
77G79Confident71.8Confident47 Ų47104.9 Ų104.949%0.48553%0.53SS..SBendtrans146.5-178-17900000112T79G77-T79 PolarHBondContact O-N 2.91Å
78P78.4Confident69.4Low96 Ų96106 Ų10662%0.62355%0.552SS**PPolyproline II helixtrans-62.1131.3-178.624.2-32.2000110.9S35 R38S35-P78 WeakPolarHBondContact CB-O 3.35Å; S35-P78 PolarHBondContact OG-O 3.45Å; R38-P78 VanDerWaalsContact CZ-O 3.25Å; R38-P78 PolarHBondContact NE-O 3.07Å; R38-P78 PolarHBondContact NH2-O 2.67Å
79T79.4Confident67.1Low70 Ų70110.2 Ų110.243%0.42959%0.588SS.*PPolyproline II helixtrans-75.1151.5165.149.60000108.9R38 S39 L42 G77 R81R38-T79 HydrophobicContact CB-CG2 4.27Å; S39-T79 WeakPolarHBondContact OG-CB 3.42Å; L42-T79 HydrophobicContact CD2-CG2 4.47Å; G77-T79 PolarHBondContact O-N 2.91Å; T79-R81 PolarHBondContact O-N 3.1Å; T79-R81 VanDerWaalsContact O-N 3.16Å
80A67.9Low65.4Low35 Ų35105.7 Ų105.729%0.28957%0.566SS.*PPolyproline II helixtrans-53.5126.1171.200000107.9S35 S39S35-A80 PolarHBondContact O-N 2.75Å; S35-A80 VanDerWaalsContact O-N 3.09Å; S39-A80 WeakPolarHBondContact OG-CB 3.49Å; S39-A80 PolarHBondContact OG-N 3.08Å
81R59.2Low63.8Low221 Ų221102.7 Ų102.783%0.83456%0.56SS**PPolyproline II helixtrans-53.7143.5161.7-78.7179.4160.7-164-5.9106.6T79 W83T79-R81 PolarHBondContact O-N 3.1Å; T79-R81 VanDerWaalsContact O-N 3.16Å; R81-W83 VanDerWaalsContact C-N 3.29Å; R81-W83 PolarHBondContact O-N 3.38Å
82P51.9Low62.5Low127 Ų12799.6 Ų99.683%0.82555%0.55SS**  trans-54.2103172.215-20.9000106.8P84P82-P84 VanDerWaalsContact O-CD 3.22Å; P82-P84 WeakPolarHBondContact O-CD 3.27Å; P82-P84 VanDerWaalsContact O-N 3.12Å
83W42.7Very low61.3Low188 Ų18889.7 Ų89.771%0.71252%0.515SS*.  trans-65.8118.5-176.1-165.2-86000104.5R81 R85R81-W83 VanDerWaalsContact C-N 3.29Å; R81-W83 PolarHBondContact O-N 3.38Å; W83-R85 PolarHBondContact O-N 2.64Å
84P41.6Very low60.6Low101 Ų10191.1 Ų91.166%0.65653%0.527SS*.  trans-59.1113.5166.124-27.3000104.3P82P82-P84 VanDerWaalsContact O-CD 3.22Å; P82-P84 WeakPolarHBondContact O-CD 3.27Å; P82-P84 VanDerWaalsContact O-N 3.12Å
85R41.3Very low60.6Low197 Ų19787.4 Ų87.474%0.74350%0.503SS*.  trans-30.1131.3176-83.4174.3166.2163.2-5.3108.5W83 Q87W83-R85 PolarHBondContact O-N 2.64Å; R85-Q87 HydrophobicContact CB-CG 4.32Å; R85-Q87 VanDerWaalsContact O-CG 3.27Å; R85-Q87 WeakPolarHBondContact O-CG 3.38Å; R85-Q87 PolarHBondContact O-N 3.24Å
86P38.1Very low60.8Low73 Ų7379.4 Ų79.447%0.47447%0.474SS..  trans-61.595.9174.722.5-27000107.1H18 G88H18-P86 WeakPolarHBondContact NE2-CG 3.45Å; P86-G88 PolarHBondContact O-N 2.98Å
87Q49.2Very low61.3Low61 Ų6177 Ų7729%0.28545%0.447SS..  trans-85.8107.8-177.5-75.8167.323.100104.5R85 V90 R175R85-Q87 HydrophobicContact CB-CG 4.32Å; R85-Q87 VanDerWaalsContact O-CG 3.27Å; R85-Q87 WeakPolarHBondContact O-CG 3.38Å; R85-Q87 PolarHBondContact O-N 3.24Å; Q87-V90 HydrophobicContact CB-CG2 4.36Å; Q87-R175 VanDerWaalsContact CG-NH1 3.32Å
88G41.1Very low61.8Low63 Ų6379.6 Ų79.665%0.64945%0.447SS*.  trans-46.1150.6173.300000110.8P86 V90P86-G88 PolarHBondContact O-N 2.98Å; G88-V90 WeakPolarHBondContact O-CG2 3.48Å; G88-V90 PolarHBondContact O-N 3.5Å
89A41.3Very low62.3Low104 Ų10480.9 Ų80.986%0.8644%0.439SS*.  trans-35.1103.3-175.800000111.1S91A89-S91 PolarHBondContact O-N 3.32Å
90V52.8Low62.7Low27 Ų2778.7 Ų78.716%0.16443%0.427CS..  trans-69.3110.2-174.5175.50000105.7Q87 G88 G92 A94Q87-V90 HydrophobicContact CB-CG2 4.36Å; G88-V90 WeakPolarHBondContact O-CG2 3.48Å; G88-V90 PolarHBondContact O-N 3.5Å; V90-G92 PolarHBondContact O-N 2.82Å; V90-A94 HydrophobicContact CG1-CB 3.29Å
91S56.1Low63.7Low73 Ų7378.2 Ų78.251%0.5142%0.419SS..  trans-47.9141.9174.3175.50000109.4A89 D93 A94A89-S91 PolarHBondContact O-N 3.32Å; S91-D93 PolarHBondContact O-N 2.87Å; S91-A94 WeakPolarHBondContact O-CB 3.41Å; S91-A94 PolarHBondContact O-N 2.89Å
92G57.7Low65.2Low16 Ų1671 Ų7117%0.16540%0.399CS..THydrogen-bonded Turntrans-57-17.6-173.700000115V90V90-G92 PolarHBondContact O-N 2.82Å
93D65.9Low66.9Low22 Ų2270.7 Ų70.712%0.11839%0.389CS..THydrogen-bonded Turntrans-82.5-17.7175-64.3-43.9000113.9S91 C95 L96 R99 S100 R205S91-D93 PolarHBondContact O-N 2.87Å; D93-C95 PolarHBondContact O-N 2.73Å; D93-C95 VanDerWaalsContact O-N 3.16Å; D93-L96 PolarHBondContact O-N 2.9Å; D93-L96 VanDerWaalsContact O-O 3.12Å; D93-R99 WeakPolarHBondContact OD1-CD 3.4Å; D93-R99 IonicContact OD1-CZ 2.88Å; D93-R99 VanDerWaalsContact OD1-CZ 3.28Å; D93-R99 IonicContact OD1-NE 2.71Å; D93-R99 PolarHBondContact OD1-NE 3.26Å; D93-R99 IonicContact OD1-NH1 3.57Å; D93-R99 PolarHBondContact OD1-NH1 3.22Å; D93-R99 IonicContact OD2-CZ 3.34Å; D93-R99 IonicContact OD2-NE 3.23Å; D93-R99 IonicContact OD2-NH1 2.67Å; D93-S100 VanDerWaalsContact C-OG 3.28Å; D93-S100 PolarHBondContact O-OG 2.95Å; D93-R205 IonicContact OD1-NH1 3.36Å; D93-R205 PolarHBondContact OD1-NH1 3.46Å; D93-R205 IonicContact OD2-CZ 3.89Å; D93-R205 IonicContact OD2-NH1 3.73Å; D93-R205 PolarHBondContact OD2-NH1 3.18Å
94A75.3Confident69.1Low38 Ų3869.1 Ų69.131%0.31438%0.383SS..THydrogen-bonded Turntrans-69.3-10.4-178.500000114.8V90 S91 S100V90-A94 HydrophobicContact CG1-CB 3.29Å; S91-A94 WeakPolarHBondContact O-CB 3.41Å; S91-A94 PolarHBondContact O-N 2.89Å; A94-S100 WeakPolarHBondContact CA-OG 3.49Å
95C86.8Confident71.4Confident2 Ų268.7 Ų68.71%0.01437%0.373CS..THydrogen-bonded Turntrans-94.66.6168.7-630000113.6D93 C177 R204 V209 Y227D93-C95 PolarHBondContact O-N 2.73Å; D93-C95 VanDerWaalsContact O-N 3.16Å; C95-C177 WeakPolarHBondContact CA-SG 3.49Å; C95-C177 HydrophobicContact CB-CB 3.69Å; C95-C177 WeakPolarHBondContact CB-SG 3.32Å; C95-C177 WeakPolarHBondContact SG-CA 3.48Å; C95-C177 WeakPolarHBondContact SG-CB 3.5Å; C95-C177 CovalentContact SG-SG 2.04Å; C95-C177 PolarHBondContact SG-SG 3.17Å; C95-R204 HydrophobicContact CB-CB 4.31Å; C95-R204 HydrophobicContact CB-CG 3.7Å; C95-V209 HydrophobicContact CB-CG1 4.11Å; C95-Y227 WeakPolarHBondContact O-CA 3.38Å; C95-Y227 WeakPolarHBondContact O-CB 3.38Å
96L90Very high73.7Confident23 Ų2362.6 Ų62.612%0.1237%0.371CS..SBendtrans-118.2100.5171.5-60.6175.6000107.4D93 E98 R99 S100 V209 A226D93-L96 PolarHBondContact O-N 2.9Å; D93-L96 VanDerWaalsContact O-O 3.12Å; L96-E98 PolarHBondContact O-N 3.44Å; L96-R99 HydrophobicContact CB-CB 4.13Å; L96-R99 PolarHBondContact O-N 3.38Å; L96-S100 WeakPolarHBondContact O-CB 3.44Å; L96-S100 PolarHBondContact O-N 3.18Å; L96-S100 PolarHBondContact O-OG 3.41Å; L96-V209 HydrophobicContact CD2-CG1 4.44Å; L96-A226 HydrophobicContact CD2-CB 4.32Å
97Y91.3Very high76.3Confident32 Ų3266.7 Ų66.713%0.12538%0.377CS..Hα-helixtrans-56.4-51.8-170.5-178.7-88.4000112.1R99 S100 F101 P109 A226 G229 P248 V251Y97-R99 PolarHBondContact O-N 3.37Å; Y97-S100 PolarHBondContact O-N 3.43Å; Y97-F101 HydrophobicContact CD1-CB 4.47Å; Y97-F101 HydrophobicContact CE1-CB 4.2Å; Y97-F101 HydrophobicContact CE1-CD2 4.02Å; Y97-F101 HydrophobicContact CE1-CG 4.31Å; Y97-F101 AromaticContact CZ-CD2 3.92Å; Y97-F101 VanDerWaalsContact O-CB 3.27Å; Y97-F101 WeakPolarHBondContact O-CB 3.04Å; Y97-F101 PolarHBondContact O-N 3.24Å; Y97-P109 HydrophobicContact CD1-CG 4.43Å; Y97-P109 HydrophobicContact CE1-CB 3.85Å; Y97-P109 HydrophobicContact CE1-CG 4.04Å; Y97-A226 WeakPolarHBondContact CB-O 3.42Å; Y97-A226 PolarHBondContact N-O 3.18Å; Y97-G229 VanDerWaalsContact CB-N 3.26Å; Y97-P248 HydrophobicContact CD1-CB 4.4Å; Y97-P248 HydrophobicContact CD1-CG 3.94Å; Y97-P248 HydrophobicContact CE1-CB 3.5Å; Y97-P248 HydrophobicContact CE1-CG 3.37Å; Y97-P248 HydrophobicContact CE2-CG 4.1Å; Y97-P248 VanDerWaalsContact CZ-CG 3.45Å; Y97-V251 HydrophobicContact CD2-CG2 4.32Å; Y97-V251 HydrophobicContact CE2-CG2 3.78Å
98E90.3Very high78.2Confident103 Ų10367.4 Ų67.448%0.48139%0.393SS..Hα-helixtrans-58.8-47.2-177-67.6-174.4155.200112L96 S100 F101 V102 Y111L96-E98 PolarHBondContact O-N 3.44Å; E98-S100 PolarHBondContact O-N 3.07Å; E98-F101 PolarHBondContact O-N 3.03Å; E98-V102 VanDerWaalsContact O-CG2 3.32Å; E98-V102 WeakPolarHBondContact O-CG2 3.32Å; E98-V102 PolarHBondContact O-N 2.91Å; E98-Y111 WeakPolarHBondContact CG-OH 3.37Å; E98-Y111 PolarHBondContact OE1-OH 2.79Å
99R88.3Confident80.6Confident122 Ų12265 Ų6546%0.4637%0.366SS..Hα-helixtrans-63.4-44.6-179.8-168.9175.6-172.8176.910.8111.1D93 L96 Y97 F101 I103D93-R99 WeakPolarHBondContact OD1-CD 3.4Å; D93-R99 IonicContact OD1-CZ 2.88Å; D93-R99 VanDerWaalsContact OD1-CZ 3.28Å; D93-R99 IonicContact OD1-NE 2.71Å; D93-R99 PolarHBondContact OD1-NE 3.26Å; D93-R99 IonicContact OD1-NH1 3.57Å; D93-R99 PolarHBondContact OD1-NH1 3.22Å; D93-R99 IonicContact OD2-CZ 3.34Å; D93-R99 IonicContact OD2-NE 3.23Å; D93-R99 IonicContact OD2-NH1 2.67Å; L96-R99 HydrophobicContact CB-CB 4.13Å; L96-R99 PolarHBondContact O-N 3.38Å; Y97-R99 PolarHBondContact O-N 3.37Å; R99-F101 VanDerWaalsContact C-N 3.35Å; R99-I103 HydrophobicContact CG-CD1 4.04Å; R99-I103 WeakPolarHBondContact O-CD1 3.26Å; R99-I103 VanDerWaalsContact O-CG1 3.24Å; R99-I103 WeakPolarHBondContact O-CG1 3.37Å; R99-I103 PolarHBondContact O-N 3.15Å; R99-I103 VanDerWaalsContact O-N 3.07Å
100S87.1Confident83Confident25 Ų2564.1 Ų64.118%0.17534%0.344CS..Hα-helixtrans-64.6-39.6177.5-69.20000112.9D93 A94 L96 Y97 E98 R104D93-S100 VanDerWaalsContact C-OG 3.28Å; D93-S100 PolarHBondContact O-OG 2.95Å; A94-S100 WeakPolarHBondContact CA-OG 3.49Å; L96-S100 WeakPolarHBondContact O-CB 3.44Å; L96-S100 PolarHBondContact O-N 3.18Å; L96-S100 PolarHBondContact O-OG 3.41Å; Y97-S100 PolarHBondContact O-N 3.43Å; E98-S100 PolarHBondContact O-N 3.07Å; S100-R104 WeakPolarHBondContact O-CB 3.45Å; S100-R104 PolarHBondContact O-N 3.43Å; S100-R104 VanDerWaalsContact O-N 3.08Å
101F89.4Confident85Confident24 Ų2464.9 Ų64.911%0.10534%0.344CS..Hα-helixtrans-66.6-46179.1-169.8-81.8000110.7Y97 E98 R99 I103 R104 E105 R107 P109Y97-F101 HydrophobicContact CD1-CB 4.47Å; Y97-F101 HydrophobicContact CE1-CB 4.2Å; Y97-F101 HydrophobicContact CE1-CD2 4.02Å; Y97-F101 HydrophobicContact CE1-CG 4.31Å; Y97-F101 AromaticContact CZ-CD2 3.92Å; Y97-F101 VanDerWaalsContact O-CB 3.27Å; Y97-F101 WeakPolarHBondContact O-CB 3.04Å; Y97-F101 PolarHBondContact O-N 3.24Å; E98-F101 PolarHBondContact O-N 3.03Å; R99-F101 VanDerWaalsContact C-N 3.35Å; F101-I103 VanDerWaalsContact C-N 3.35Å; F101-I103 PolarHBondContact O-N 2.84Å; F101-R104 PolarHBondContact O-N 3.04Å; F101-E105 HydrophobicContact CD1-CB 4.08Å; F101-E105 HydrophobicContact CD1-CG 3.98Å; F101-E105 HydrophobicContact CD2-CG 4.14Å; F101-E105 HydrophobicContact CE1-CB 3.77Å; F101-E105 HydrophobicContact CE1-CG 3.72Å; F101-E105 HydrophobicContact CE2-CG 3.89Å; F101-E105 HydrophobicContact CG-CG 4.18Å; F101-E105 HydrophobicContact CZ-CB 4.17Å; F101-E105 HydrophobicContact CZ-CG 3.67Å; F101-E105 WeakPolarHBondContact O-CB 3.45Å; F101-E105 WeakPolarHBondContact O-CG 3.36Å; F101-E105 PolarHBondContact O-N 2.77Å; F101-R107 VanDerWaalsContact CD1-O 3.26Å; F101-R107 WeakPolarHBondContact CD1-O 3.34Å; F101-R107 HydrophobicContact CE1-CG 4.25Å; F101-P109 HydrophobicContact CD1-CB 3.81Å; F101-P109 HydrophobicContact CD1-CG 4.24Å; F101-P109 HydrophobicContact CD2-CB 4.21Å; F101-P109 HydrophobicContact CE1-CB 3.89Å; F101-P109 HydrophobicContact CE2-CB 4.29Å; F101-P109 HydrophobicContact CG-CB 3.98Å; F101-P109 HydrophobicContact CG-CG 4.4Å; F101-P109 HydrophobicContact CZ-CB 4.13Å
102V90.6Very high86.8Confident71 Ų7165.1 Ų65.143%0.4333%0.334SS..Hα-helixtrans-62.1-41.8177.2172.30000111.6E98 R104 G106E98-V102 VanDerWaalsContact O-CG2 3.32Å; E98-V102 WeakPolarHBondContact O-CG2 3.32Å; E98-V102 PolarHBondContact O-N 2.91Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 3.12Å; V102-G106 VanDerWaalsContact O-CA 3.24Å; V102-G106 WeakPolarHBondContact O-CA 3.32Å; V102-G106 PolarHBondContact O-N 3.07Å
103I88.3Confident88.6Confident120 Ų12064.4 Ų64.462%0.61533%0.326SS*.Hα-helixtrans-62.7-39.4177.1-70165.9000111.4R99 F101R99-I103 HydrophobicContact CG-CD1 4.04Å; R99-I103 WeakPolarHBondContact O-CD1 3.26Å; R99-I103 VanDerWaalsContact O-CG1 3.24Å; R99-I103 WeakPolarHBondContact O-CG1 3.37Å; R99-I103 PolarHBondContact O-N 3.15Å; R99-I103 VanDerWaalsContact O-N 3.07Å; F101-I103 VanDerWaalsContact C-N 3.35Å; F101-I103 PolarHBondContact O-N 2.84Å
104R87.8Confident90.1Very high155 Ų15563.4 Ų63.459%0.58532%0.321SS*.Hα-helixtrans-80.4-43.2-176.8-177.1178.759.4-122.8-9.5113.3S100 F101 V102S100-R104 WeakPolarHBondContact O-CB 3.45Å; S100-R104 PolarHBondContact O-N 3.43Å; S100-R104 VanDerWaalsContact O-N 3.08Å; F101-R104 PolarHBondContact O-N 3.04Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 3.12Å
105E89.9Confident91.1Very high92 Ų9261.6 Ų61.643%0.4331%0.306SS..Hα-helixtrans-106-9.4-168.7-53.8-63.7154.800113.2F101 R107F101-E105 HydrophobicContact CD1-CB 4.08Å; F101-E105 HydrophobicContact CD1-CG 3.98Å; F101-E105 HydrophobicContact CD2-CG 4.14Å; F101-E105 HydrophobicContact CE1-CB 3.77Å; F101-E105 HydrophobicContact CE1-CG 3.72Å; F101-E105 HydrophobicContact CE2-CG 3.89Å; F101-E105 HydrophobicContact CG-CG 4.18Å; F101-E105 HydrophobicContact CZ-CB 4.17Å; F101-E105 HydrophobicContact CZ-CG 3.67Å; F101-E105 WeakPolarHBondContact O-CB 3.45Å; F101-E105 WeakPolarHBondContact O-CG 3.36Å; F101-E105 PolarHBondContact O-N 2.77Å; E105-R107 HydrophobicContact CB-CG 4.2Å; E105-R107 PolarHBondContact O-N 3.32Å; E105-R107 VanDerWaalsContact O-N 3.13Å
106G91.1Very high91.6Very high69 Ų6961.6 Ų61.671%0.71131%0.306SS*.SBendtrans67.68.2-178.600000115.1V102V102-G106 VanDerWaalsContact O-CA 3.24Å; V102-G106 WeakPolarHBondContact O-CA 3.32Å; V102-G106 PolarHBondContact O-N 3.07Å
107R91.7Very high91.9Very high159 Ų15960.8 Ų60.860%0.630%0.302SS*.SBendtrans-142.5163.6-178.465.6179.1178.7141.4-1.1112.1F101 E105F101-R107 VanDerWaalsContact CD1-O 3.26Å; F101-R107 WeakPolarHBondContact CD1-O 3.34Å; F101-R107 HydrophobicContact CE1-CG 4.25Å; E105-R107 HydrophobicContact CB-CG 4.2Å; E105-R107 PolarHBondContact O-N 3.32Å; E105-R107 VanDerWaalsContact O-N 3.13Å
108A89.9Confident92Very high75 Ų7559.4 Ų59.462%0.6230%0.298SS*.PPolyproline II helixtrans-70.2146.2172.800000111.2
109P91.5Very high91.8Very high13 Ų1354.8 Ų54.88%0.08428%0.276CS..PPolyproline II helixtrans-68.9146.4176.626.5-31.1000111.7Y97 F101 Y111 P248Y97-P109 HydrophobicContact CD1-CG 4.43Å; Y97-P109 HydrophobicContact CE1-CB 3.85Å; Y97-P109 HydrophobicContact CE1-CG 4.04Å; F101-P109 HydrophobicContact CD1-CB 3.81Å; F101-P109 HydrophobicContact CD1-CG 4.24Å; F101-P109 HydrophobicContact CD2-CB 4.21Å; F101-P109 HydrophobicContact CE1-CB 3.89Å; F101-P109 HydrophobicContact CE2-CB 4.29Å; F101-P109 HydrophobicContact CG-CB 3.98Å; F101-P109 HydrophobicContact CG-CG 4.4Å; F101-P109 HydrophobicContact CZ-CB 4.13Å; P109-Y111 HydrophobicContact CB-CE2 4.44Å; P109-Y111 HydrophobicContact CG-CE2 3.69Å; P109-Y111 VanDerWaalsContact O-CD2 3.32Å; P109-Y111 WeakPolarHBondContact O-CD2 3.28Å; P109-P248 HydrophobicContact CB-CB 4.13Å
110E91.4Very high92Very high85 Ų8549 Ų4940%0.39726%0.255SS..PPolyproline II helixtrans-80.1123172.8-173.4179.5-16400109.7R112 P248 R249E110-R112 IonicContact OE1-CZ 3.46Å; E110-R112 IonicContact OE1-NH1 3.48Å; E110-R112 PolarHBondContact OE1-NH1 3.34Å; E110-R112 IonicContact OE1-NH2 3.59Å; E110-R112 PolarHBondContact OE1-NH2 3.04Å; E110-R112 IonicContact OE2-NH2 3.54Å; E110-P248 WeakPolarHBondContact O-CA 3.19Å; E110-R249 PolarHBondContact O-N 3.09Å
111Y93.9Very high92.3Very high43 Ų4347.9 Ų47.917%0.16925%0.246CC..EExtended strand (participates in β ladder)trans-99.4144.7-179.5-74.7-81000111.5E98 P109 G229 R246 P248E98-Y111 WeakPolarHBondContact CG-OH 3.37Å; E98-Y111 PolarHBondContact OE1-OH 2.79Å; P109-Y111 HydrophobicContact CB-CE2 4.44Å; P109-Y111 HydrophobicContact CG-CE2 3.69Å; P109-Y111 VanDerWaalsContact O-CD2 3.32Å; P109-Y111 WeakPolarHBondContact O-CD2 3.28Å; Y111-G229 VanDerWaalsContact CE1-O 3.28Å; Y111-G229 WeakPolarHBondContact CE1-O 3.31Å; Y111-R246 HydrophobicContact CD1-CG 3.84Å; Y111-R246 HydrophobicContact CG-CG 4.28Å; Y111-P248 HydrophobicContact CD1-CB 4.39Å; Y111-P248 HydrophobicContact CE1-CB 4.17Å; Y111-P248 HydrophobicContact CE1-CG 4.43Å
112R95Very high92.6Very high78 Ų7846.7 Ų46.729%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-122158.4168.5-65.6-62.6-168.7-116.4-8.4110.5E110 F125 R246 S247 L252E110-R112 IonicContact OE1-CZ 3.46Å; E110-R112 IonicContact OE1-NH1 3.48Å; E110-R112 PolarHBondContact OE1-NH1 3.34Å; E110-R112 IonicContact OE1-NH2 3.59Å; E110-R112 PolarHBondContact OE1-NH2 3.04Å; E110-R112 IonicContact OE2-NH2 3.54Å; R112-F125 HydrophobicContact CB-CB 4Å; R112-F125 HydrophobicContact CB-CD1 3.8Å; R112-F125 HydrophobicContact CB-CG 4.27Å; R112-F125 VanDerWaalsContact CD-O 3.31Å; R112-F125 WeakPolarHBondContact CD-O 3.38Å; R112-R246 WeakPolarHBondContact O-CA 3.34Å; R112-S247 PolarHBondContact N-O 2.96Å; R112-S247 PolarHBondContact O-N 3Å; R112-S247 VanDerWaalsContact O-N 3.08Å; R112-L252 HydrophobicContact CB-CD1 3.79Å; R112-L252 HydrophobicContact CG-CD1 4.49Å
113H95.4Very high92.8Very high1 Ų143.3 Ų43.31%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-124.9133.1-178174.754000110.8V245 M331 T332H113-V245 CarbonylContact C-O 3.6Å; H113-V245 VanDerWaalsContact CA-O 3.24Å; H113-V245 WeakPolarHBondContact CA-O 3.46Å; H113-V245 PolarHBondContact ND1-O 3.26Å; H113-M331 HydrophobicContact CB-CB 4.42Å; H113-M331 VanDerWaalsContact CE1-SD 3.57Å; H113-M331 PolarHBondContact ND1-SD 3.12Å; H113-T332 HydrophobicContact CB-CG2 3.83Å
114C96.8Very high93.2Very high1 Ų137.6 Ų37.61%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-123.2147.5168.6171.90000108.6R123 F125 V245 C264C114-R123 CarbonylContact C-O 3.56Å; C114-R123 WeakPolarHBondContact CA-O 3.4Å; C114-R123 PolarHBondContact SG-O 3.4Å; C114-F125 HydrophobicContact CB-CD1 3.6Å; C114-F125 HydrophobicContact CB-CD2 4.35Å; C114-F125 HydrophobicContact CB-CE1 3.31Å; C114-F125 HydrophobicContact CB-CE2 4.11Å; C114-F125 HydrophobicContact CB-CG 4.1Å; C114-F125 HydrophobicContact CB-CZ 3.58Å; C114-V245 PolarHBondContact N-O 3.15Å; C114-V245 PolarHBondContact O-N 3.44Å; C114-C264 HydrophobicContact CB-CB 3.64Å; C114-C264 WeakPolarHBondContact CB-SG 3.5Å; C114-C264 WeakPolarHBondContact SG-CA 3.41Å; C114-C264 WeakPolarHBondContact SG-CB 3.43Å; C114-C264 CovalentContact SG-SG 2.03Å; C114-C264 PolarHBondContact SG-SG 3.3Å
115S96.9Very high93.4Very high1 Ų130.9 Ų30.91%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-142.1145.4171.464.60000112I122 R123 L243S115-I122 WeakPolarHBondContact O-CA 3.36Å; S115-R123 PolarHBondContact N-O 2.99Å; S115-R123 PolarHBondContact O-N 3.47Å; S115-R123 WeakPolarHBondContact OG-CB 3.4Å; S115-L243 CarbonylContact C-O 3.59Å; S115-L243 WeakPolarHBondContact CA-O 3Å
116V97.4Very high93.5Very high1 Ų130.4 Ų30.41%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-122.6133.6162.565.70000110P120 H121 I122 L140 V150 V164 G242 L243V116-P120 HydrophobicContact CG2-CB 3.53Å; V116-H121 VanDerWaalsContact CA-O 3.26Å; V116-H121 WeakPolarHBondContact CA-O 3.42Å; V116-I122 HydrophobicContact CB-CG1 4.04Å; V116-I122 HydrophobicContact CG2-CD1 4.34Å; V116-I122 HydrophobicContact CG2-CG1 3.74Å; V116-L140 HydrophobicContact CB-CD1 4.39Å; V116-L140 HydrophobicContact CB-CD2 4.34Å; V116-L140 HydrophobicContact CG1-CD1 3.57Å; V116-L140 HydrophobicContact CG1-CD2 4.27Å; V116-V150 HydrophobicContact CG1-CG1 4.12Å; V116-V164 HydrophobicContact CG2-CG2 4.13Å; V116-G242 CarbonylContact O-C 3.59Å; V116-G242 WeakPolarHBondContact O-CA 3.49Å; V116-L243 HydrophobicContact CG1-CB 3.98Å; V116-L243 PolarHBondContact N-O 3.33Å; V116-L243 PolarHBondContact O-N 3Å
117F96.2Very high93.5Very high6 Ų629.8 Ų29.83%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-159.7164.5-178.260.7-86.1000111P120 H121 F129 Y301 A304 A320 A321 A324F117-P120 WeakPolarHBondContact O-CA 3.42Å; F117-H121 HydrophobicContact CD1-CB 4.33Å; F117-H121 HydrophobicContact CD2-CB 4.1Å; F117-H121 HydrophobicContact CE1-CB 4Å; F117-H121 HydrophobicContact CE2-CB 3.76Å; F117-H121 AromaticContact CE2-CD2 3.93Å; F117-H121 HydrophobicContact CG-CB 4.38Å; F117-H121 HydrophobicContact CZ-CB 3.71Å; F117-H121 PolarHBondContact N-O 3.16Å; F117-H121 VanDerWaalsContact N-O 3.13Å; F117-H121 WeakPolarHBondContact O-CB 3.37Å; F117-H121 PolarHBondContact O-N 2.94Å; F117-F129 HydrophobicContact CE1-CE2 4.27Å; F117-F129 AromaticContact CZ-CE2 3.92Å; F117-F129 HydrophobicContact CZ-CE2 3.92Å; F117-F129 HydrophobicContact CZ-CZ 4.35Å; F117-Y301 HydrophobicContact CE1-CD1 4.24Å; F117-Y301 HydrophobicContact CE1-CE1 4.03Å; F117-Y301 HydrophobicContact CE2-CD1 4.37Å; F117-Y301 AromaticContact CZ-CD1 3.69Å; F117-Y301 HydrophobicContact CZ-CD1 3.69Å; F117-Y301 AromaticContact CZ-CE1 3.95Å; F117-Y301 HydrophobicContact CZ-CE1 3.95Å; F117-A304 HydrophobicContact CE2-CB 3.7Å; F117-A304 HydrophobicContact CZ-CB 4.17Å; F117-A320 HydrophobicContact CB-CB 4.45Å; F117-A320 HydrophobicContact CD2-CB 4.43Å; F117-A321 HydrophobicContact CE2-CB 4.17Å; F117-A324 HydrophobicContact CB-CB 4.14Å; F117-A324 HydrophobicContact CD1-CB 3.35Å; F117-A324 HydrophobicContact CD2-CB 3.87Å; F117-A324 HydrophobicContact CE1-CB 3.57Å; F117-A324 HydrophobicContact CE2-CB 4.05Å; F117-A324 HydrophobicContact CG-CB 3.51Å; F117-A324 HydrophobicContact CZ-CB 3.92Å
118G92.3Very high93.5Very high4 Ų426 Ų264%0.04115%0.145CC..THydrogen-bonded Turntrans60-141.6177.500000112.6S240 D308G118-S240 PolarHBondContact O-OG 2.74Å; G118-D308 WeakPolarHBondContact CA-OD2 3.28Å
119D85.9Confident93.6Very high6 Ų624.4 Ų24.43%0.03212%0.124CC..THydrogen-bonded Turntrans-8499172.5-171.20.3000111.2H121 H161 T162 F307 D308D119-H121 VanDerWaalsContact C-N 3.28Å; D119-H121 PolarHBondContact O-N 2.9Å; D119-H121 PolarHBondContact O-ND1 2.89Å; D119-H161 WeakPolarHBondContact OD2-CA 3.17Å; D119-H161 WeakPolarHBondContact OD2-CB 3.46Å; D119-H161 IonicContact OD2-CG 3.54Å; D119-H161 IonicContact OD2-ND1 2.87Å; D119-H161 PolarHBondContact OD2-ND1 3.35Å; D119-T162 WeakPolarHBondContact CA-O 3.05Å; D119-T162 WeakPolarHBondContact CB-O 3.42Å; D119-T162 VanDerWaalsContact CG-N 3.34Å; D119-T162 WeakPolarHBondContact OD1-CA 3.42Å; D119-T162 PolarHBondContact OD1-N 2.94Å; D119-T162 PolarHBondContact OD1-OG1 3.4Å; D119-T162 PolarHBondContact OD2-N 3.4Å; D119-F307 HydrophobicContact CB-CD1 4.35Å; D119-F307 HydrophobicContact CB-CE1 3.93Å; D119-F307 VanDerWaalsContact OD2-CE1 3.28Å; D119-F307 WeakPolarHBondContact OD2-CE1 3.32Å; D119-D308 WeakPolarHBondContact CB-OD1 3.46Å; D119-D308 PolarHBondContact N-OD1 2.88Å
120P92.4Very high93.7Very high1 Ų125.1 Ų25.11%0.00613%0.127CC..THydrogen-bonded Turn-49.498.8-119.921.9-31000110.7V116 F117 C132 V134 T162 V164V116-P120 HydrophobicContact CG2-CB 3.53Å; F117-P120 WeakPolarHBondContact O-CA 3.42Å; P120-C132 VanDerWaalsContact CD-O 3.28Å; P120-C132 WeakPolarHBondContact CD-O 3.35Å; P120-C132 HydrophobicContact CG-CB 4.39Å; P120-C132 VanDerWaalsContact CG-O 3.27Å; P120-C132 WeakPolarHBondContact CG-O 3.24Å; P120-C132 PolarHBondContact O-N 2.84Å; P120-V134 HydrophobicContact CB-CG2 4.5Å; P120-V134 HydrophobicContact CG-CG2 3.57Å; P120-T162 WeakPolarHBondContact CD-OG1 3.42Å; P120-V164 HydrophobicContact CB-CG2 4.06Å
121H94.7Very high93.7Very high0 Ų021.2 Ų21.20%011%0.109CC..EExtended strand (participates in β ladder)trans-77.8119.6169.9-63.8-55.1000107.7V116 F117 D119 F129 H130 T131 A304 F307 D308V116-H121 VanDerWaalsContact CA-O 3.26Å; V116-H121 WeakPolarHBondContact CA-O 3.42Å; F117-H121 HydrophobicContact CD1-CB 4.33Å; F117-H121 HydrophobicContact CD2-CB 4.1Å; F117-H121 HydrophobicContact CE1-CB 4Å; F117-H121 HydrophobicContact CE2-CB 3.76Å; F117-H121 AromaticContact CE2-CD2 3.93Å; F117-H121 HydrophobicContact CG-CB 4.38Å; F117-H121 HydrophobicContact CZ-CB 3.71Å; F117-H121 PolarHBondContact N-O 3.16Å; F117-H121 VanDerWaalsContact N-O 3.13Å; F117-H121 WeakPolarHBondContact O-CB 3.37Å; F117-H121 PolarHBondContact O-N 2.94Å; D119-H121 VanDerWaalsContact C-N 3.28Å; D119-H121 PolarHBondContact O-N 2.9Å; D119-H121 PolarHBondContact O-ND1 2.89Å; H121-F129 HydrophobicContact CB-CE2 3.96Å; H121-F129 HydrophobicContact CB-CZ 3.62Å; H121-F129 AromaticContact CG-CZ 3.92Å; H121-F129 AromaticContact ND1-CZ 3.94Å; H121-H130 CarbonylContact C-O 3.52Å; H121-H130 WeakPolarHBondContact CA-O 3.46Å; H121-T131 PolarHBondContact CE1-OG1 3.28Å; H121-T131 VanDerWaalsContact CE1-OG1 3.3Å; H121-T131 PolarHBondContact ND1-OG1 3.46Å; H121-A304 HydrophobicContact CB-CB 4.43Å; H121-A304 VanDerWaalsContact CD2-CB 3.42Å; H121-A304 WeakPolarHBondContact CD2-CB 3.47Å; H121-A304 WeakPolarHBondContact NE2-CA 3.18Å; H121-A304 PolarHBondContact NE2-O 2.88Å; H121-F307 AromaticContact CE1-CD1 3.59Å; H121-F307 AromaticContact NE2-CD1 3.89Å; H121-D308 IonicContact CD2-OD1 3.86Å; H121-D308 IonicContact CD2-OD2 3.67Å; H121-D308 IonicContact NE2-OD1 3.22Å; H121-D308 PolarHBondContact NE2-OD1 3.39Å; H121-D308 IonicContact NE2-OD2 3.59Å
122I95.4Very high93.4Very high0 Ų019.2 Ų19.20%010%0.101CC..EExtended strand (participates in β ladder)trans-114.2119.7-175-70.5161.3000109.3S115 V116 T124 F129 H130 C132 L263 C268S115-I122 WeakPolarHBondContact O-CA 3.36Å; V116-I122 HydrophobicContact CB-CG1 4.04Å; V116-I122 HydrophobicContact CG2-CD1 4.34Å; V116-I122 HydrophobicContact CG2-CG1 3.74Å; I122-T124 HydrophobicContact CG2-CG2 4.3Å; I122-F129 CarbonylContact O-C 3.55Å; I122-F129 WeakPolarHBondContact O-CA 3.46Å; I122-H130 PolarHBondContact N-O 3.17Å; I122-H130 PolarHBondContact O-N 3.24Å; I122-C132 HydrophobicContact CD1-CB 4.4Å; I122-L263 HydrophobicContact CD1-CB 4.03Å; I122-L263 HydrophobicContact CD1-CD1 3.77Å; I122-L263 HydrophobicContact CD1-CG 4.38Å; I122-C268 WeakPolarHBondContact CD1-SG 3.44Å
123R95.3Very high93.1Very high0 Ų016.6 Ų16.60%010%0.096CC..EExtended strand (participates in β ladder)trans-95.7118.8162177.8-176.91751343.6108.3C114 S115 D127 D128 F129 Y301 G337 V338 L340C114-R123 CarbonylContact C-O 3.56Å; C114-R123 WeakPolarHBondContact CA-O 3.4Å; C114-R123 PolarHBondContact SG-O 3.4Å; S115-R123 PolarHBondContact N-O 2.99Å; S115-R123 PolarHBondContact O-N 3.47Å; S115-R123 WeakPolarHBondContact OG-CB 3.4Å; R123-D127 IonicContact CZ-OD1 2.75Å; R123-D127 IonicContact NE-OD1 2.73Å; R123-D127 PolarHBondContact NE-OD1 3.34Å; R123-D127 IonicContact NH2-OD1 2.98Å; R123-D127 PolarHBondContact NH2-OD1 3.25Å; R123-D127 IonicContact NH2-OD2 3.4Å; R123-D128 CarbonylContact C-O 3.57Å; R123-D128 VanDerWaalsContact CA-O 3.29Å; R123-D128 WeakPolarHBondContact CA-O 3.22Å; R123-F129 HydrophobicContact CB-CD2 4.49Å; R123-Y301 PolarHBondContact NH1-OH 2.8Å; R123-Y301 VanDerWaalsContact NH1-OH 3.09Å; R123-G337 PolarHBondContact NH1-O 3.2Å; R123-G337 VanDerWaalsContact NH1-O 3.16Å; R123-G337 PolarHBondContact NH2-O 3.32Å; R123-V338 PolarHBondContact NH1-O 3.35Å; R123-L340 HydrophobicContact CG-CD1 4.07Å
124T95.2Very high92.6Very high0 Ų016.6 Ų16.60%010%0.096CC..  trans-79.3167.8178.672.80000111.4I122 S126 D127 D128 C264I122-T124 HydrophobicContact CG2-CG2 4.3Å; T124-S126 PolarHBondContact O-N 2.94Å; T124-S126 PolarHBondContact OG1-N 2.96Å; T124-D127 PolarHBondContact O-N 2.76Å; T124-D128 HydrophobicContact CG2-CB 4.01Å; T124-D128 PolarHBondContact N-O 2.99Å; T124-D128 WeakPolarHBondContact OG1-CB 3.36Å; T124-D128 PolarHBondContact OG1-N 3.25Å; T124-D128 PolarHBondContact OG1-OD2 3.11Å; T124-C264 CarbonylContact C-O 3.53Å; T124-C264 WeakPolarHBondContact CA-O 3.22Å; T124-C264 WeakPolarHBondContact CB-O 3.27Å
125F93.8Very high92.3Very high14 Ų1422.7 Ų22.76%0.06112%0.124CC..THydrogen-bonded Turntrans-64.5-14.6171.7-66.9-56.3000114R112 C114 D127 I141 V245 L252 C264 V265R112-F125 HydrophobicContact CB-CB 4Å; R112-F125 HydrophobicContact CB-CD1 3.8Å; R112-F125 HydrophobicContact CB-CG 4.27Å; R112-F125 VanDerWaalsContact CD-O 3.31Å; R112-F125 WeakPolarHBondContact CD-O 3.38Å; C114-F125 HydrophobicContact CB-CD1 3.6Å; C114-F125 HydrophobicContact CB-CD2 4.35Å; C114-F125 HydrophobicContact CB-CE1 3.31Å; C114-F125 HydrophobicContact CB-CE2 4.11Å; C114-F125 HydrophobicContact CB-CG 4.1Å; C114-F125 HydrophobicContact CB-CZ 3.58Å; F125-D127 VanDerWaalsContact C-N 3.34Å; F125-I141 HydrophobicContact CE2-CD1 4.2Å; F125-I141 HydrophobicContact CE2-CG1 4.27Å; F125-I141 HydrophobicContact CZ-CD1 3.85Å; F125-I141 HydrophobicContact CZ-CG1 4.39Å; F125-V245 HydrophobicContact CE1-CG1 4.45Å; F125-V245 HydrophobicContact CZ-CG1 4.26Å; F125-L252 HydrophobicContact CB-CD1 4.27Å; F125-L252 HydrophobicContact CD1-CD1 3.49Å; F125-L252 VanDerWaalsContact CD1-CD1 3.49Å; F125-L252 HydrophobicContact CD2-CD1 3.81Å; F125-L252 HydrophobicContact CD2-CD2 4.01Å; F125-L252 HydrophobicContact CD2-CG 4.35Å; F125-L252 HydrophobicContact CE1-CD1 3.63Å; F125-L252 HydrophobicContact CE1-CD2 3.92Å; F125-L252 HydrophobicContact CE1-CG 4.41Å; F125-L252 HydrophobicContact CE2-CD1 3.94Å; F125-L252 HydrophobicContact CE2-CD2 3.34Å; F125-L252 HydrophobicContact CE2-CG 4.14Å; F125-L252 HydrophobicContact CG-CD1 3.6Å; F125-L252 HydrophobicContact CZ-CD1 3.86Å; F125-L252 HydrophobicContact CZ-CD2 3.3Å; F125-L252 HydrophobicContact CZ-CG 4.19Å; F125-C264 HydrophobicContact CD2-CB 3.76Å; F125-C264 VanDerWaalsContact CD2-O 3.24Å; F125-C264 WeakPolarHBondContact CD2-O 3.03Å; F125-C264 HydrophobicContact CE2-CB 3.38Å; F125-C264 HydrophobicContact CZ-CB 3.98Å; F125-C264 PolarHBondContact N-O 2.82Å; F125-V265 HydrophobicContact CD2-CG2 4.41Å
126S91.6Very high92.1Very high81 Ų8124 Ų2457%0.56614%0.137SC*.THydrogen-bonded Turntrans-94.97.8174.6-57.30000112.4T124 D128T124-S126 PolarHBondContact O-N 2.94Å; T124-S126 PolarHBondContact OG1-N 2.96Å; S126-D128 VanDerWaalsContact C-N 3.25Å; S126-D128 PolarHBondContact O-N 2.04Å
127D91.4Very high92Very high57 Ų5726.6 Ų26.631%0.30516%0.16SC..  trans64.824.1-177.6-59.5-39.7000114.5R123 T124 F125 L340R123-D127 IonicContact CZ-OD1 2.75Å; R123-D127 IonicContact NE-OD1 2.73Å; R123-D127 PolarHBondContact NE-OD1 3.34Å; R123-D127 IonicContact NH2-OD1 2.98Å; R123-D127 PolarHBondContact NH2-OD1 3.25Å; R123-D127 IonicContact NH2-OD2 3.4Å; T124-D127 PolarHBondContact O-N 2.76Å; F125-D127 VanDerWaalsContact C-N 3.34Å; D127-L340 HydrophobicContact CB-CD1 4.27Å; D127-L340 HydrophobicContact CB-CD2 3.83Å; D127-L340 VanDerWaalsContact O-CD1 3.32Å; D127-L340 WeakPolarHBondContact O-CD1 3.36Å
128D91.3Very high91.9Very high78 Ų7828 Ų2842%0.41717%0.165SC..  trans-78.4145.3166.4-55.8-59.7000110R123 T124 S126R123-D128 CarbonylContact C-O 3.57Å; R123-D128 VanDerWaalsContact CA-O 3.29Å; R123-D128 WeakPolarHBondContact CA-O 3.22Å; T124-D128 HydrophobicContact CG2-CB 4.01Å; T124-D128 PolarHBondContact N-O 2.99Å; T124-D128 WeakPolarHBondContact OG1-CB 3.36Å; T124-D128 PolarHBondContact OG1-N 3.25Å; T124-D128 PolarHBondContact OG1-OD2 3.11Å; S126-D128 VanDerWaalsContact C-N 3.25Å; S126-D128 PolarHBondContact O-N 2.04Å
129F92.6Very high92.1Very high42 Ų4228.8 Ų28.818%0.18417%0.169CC..EExtended strand (participates in β ladder)trans-120.7127.3178.1-172.4-92.2000111.7F117 H121 I122 R123 V300 A304F117-F129 HydrophobicContact CE1-CE2 4.27Å; F117-F129 AromaticContact CZ-CE2 3.92Å; F117-F129 HydrophobicContact CZ-CE2 3.92Å; F117-F129 HydrophobicContact CZ-CZ 4.35Å; H121-F129 HydrophobicContact CB-CE2 3.96Å; H121-F129 HydrophobicContact CB-CZ 3.62Å; H121-F129 AromaticContact CG-CZ 3.92Å; H121-F129 AromaticContact ND1-CZ 3.94Å; I122-F129 CarbonylContact O-C 3.55Å; I122-F129 WeakPolarHBondContact O-CA 3.46Å; R123-F129 HydrophobicContact CB-CD2 4.49Å; F129-V300 HydrophobicContact CB-CB 4.21Å; F129-V300 HydrophobicContact CB-CG1 3.65Å; F129-V300 HydrophobicContact CD1-CB 3.8Å; F129-V300 HydrophobicContact CD1-CG1 3.72Å; F129-V300 HydrophobicContact CD2-CB 3.67Å; F129-V300 HydrophobicContact CD2-CG1 4.09Å; F129-V300 HydrophobicContact CD2-CG2 3.81Å; F129-V300 HydrophobicContact CE1-CB 4.02Å; F129-V300 HydrophobicContact CE1-CG1 4.39Å; F129-V300 HydrophobicContact CE2-CB 3.89Å; F129-V300 HydrophobicContact CE2-CG2 4.12Å; F129-V300 HydrophobicContact CG-CB 3.6Å; F129-V300 HydrophobicContact CG-CG1 3.53Å; F129-V300 HydrophobicContact CG-CG2 4.16Å; F129-V300 HydrophobicContact CZ-CB 4.05Å; F129-A304 HydrophobicContact CZ-CB 4.07Å
130H91.9Very high92.6Very high29 Ų2928.6 Ų28.613%0.13417%0.168CC..EExtended strand (participates in β ladder)trans-134.2144.4179.4-56.9135.9000111.2H121 I122 G267 R273H121-H130 CarbonylContact C-O 3.52Å; H121-H130 WeakPolarHBondContact CA-O 3.46Å; I122-H130 PolarHBondContact N-O 3.17Å; I122-H130 PolarHBondContact O-N 3.24Å; H130-G267 WeakPolarHBondContact ND1-CA 3.32Å; H130-R273 PolarHBondContact CE1-NH2 2.85Å; H130-R273 PolarHBondContact NE2-NH1 2.86Å
131T91.3Very high92.8Very high3 Ų328.6 Ų28.62%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-104.6131.9165-60.10000108.6H121 V274 V276 F307H121-T131 PolarHBondContact CE1-OG1 3.28Å; H121-T131 VanDerWaalsContact CE1-OG1 3.3Å; H121-T131 PolarHBondContact ND1-OG1 3.46Å; T131-V274 HydrophobicContact CG2-CB 4.23Å; T131-V274 PolarHBondContact O-N 2.83Å; T131-V276 VanDerWaalsContact CB-CG2 3.48Å; T131-V276 HydrophobicContact CG2-CG2 4.23Å; T131-V276 WeakPolarHBondContact OG1-CG2 3.48Å; T131-F307 HydrophobicContact CG2-CD1 4.22Å; T131-F307 HydrophobicContact CG2-CE1 3.76Å; T131-F307 HydrophobicContact CG2-CE2 4.47Å; T131-F307 HydrophobicContact CG2-CZ 3.92Å
132C89.1Confident92.8Very high0 Ų030.1 Ų30.10%018%0.176CC..EExtended strand (participates in β ladder)trans-128.1125-163.8-52.40000112.6P120 I122 V134 C268 H272P120-C132 VanDerWaalsContact CD-O 3.28Å; P120-C132 WeakPolarHBondContact CD-O 3.35Å; P120-C132 HydrophobicContact CG-CB 4.39Å; P120-C132 VanDerWaalsContact CG-O 3.27Å; P120-C132 WeakPolarHBondContact CG-O 3.24Å; P120-C132 PolarHBondContact O-N 2.84Å; I122-C132 HydrophobicContact CD1-CB 4.4Å; C132-V134 HydrophobicContact CB-CG1 4.09Å; C132-V134 HydrophobicContact CB-CG2 3.9Å; C132-V134 PolarHBondContact O-N 2.89Å; C132-V134 VanDerWaalsContact O-N 3.08Å; C132-C268 HydrophobicContact CB-CB 3.81Å; C132-C268 WeakPolarHBondContact CB-SG 3.49Å; C132-C268 WeakPolarHBondContact SG-CB 3.22Å; C132-C268 CovalentContact SG-SG 1.99Å; C132-C268 PolarHBondContact SG-SG 2.88Å; C132-H272 CarbonylContact C-O 3.59Å; C132-H272 WeakPolarHBondContact CA-O 3.32Å
133A87.6Confident92.7Very high23 Ų2330.2 Ų30.219%0.1918%0.176CC..  trans-86.857.917100000110.3H160 H272 V274A133-H160 HydrophobicContact CB-CB 4.16Å; A133-H272 PolarHBondContact N-O 3.08Å; A133-V274 HydrophobicContact CB-CG2 3.62Å
134V85.4Confident92.5Very high1 Ų134.6 Ų34.61%0.00620%0.2CC..  trans-95117.9-177.7-74.30000110P120 C132 W138 S152 H272P120-V134 HydrophobicContact CB-CG2 4.5Å; P120-V134 HydrophobicContact CG-CG2 3.57Å; C132-V134 HydrophobicContact CB-CG1 4.09Å; C132-V134 HydrophobicContact CB-CG2 3.9Å; C132-V134 PolarHBondContact O-N 2.89Å; C132-V134 VanDerWaalsContact O-N 3.08Å; V134-W138 HydrophobicContact CB-CD2 3.99Å; V134-W138 HydrophobicContact CB-CG 4.08Å; V134-W138 HydrophobicContact CB-CZ2 4.12Å; V134-W138 HydrophobicContact CG1-CD2 3.96Å; V134-W138 HydrophobicContact CG1-CE3 4.29Å; V134-W138 HydrophobicContact CG1-CG 4.48Å; V134-W138 HydrophobicContact CG1-CH2 4.21Å; V134-W138 HydrophobicContact CG1-CZ2 3.88Å; V134-W138 HydrophobicContact CG1-CZ3 4.42Å; V134-S152 WeakPolarHBondContact O-CB 3.29Å; V134-H272 HydrophobicContact CG1-CB 3.83Å
135Q90.5Very high92.4Very high129 Ų12936.4 Ų36.460%0.60321%0.207SC*.  trans-103.7144.6176.5-177.1178.3-1.800110.8W138 P154Q135-W138 PolarHBondContact O-NE1 2.93Å; Q135-P154 HydrophobicContact CG-CG 4.39Å
136G93Very high92.5Very high28 Ų2835.9 Ų35.929%0.28921%0.205SC..EExtended strand (participates in β ladder)trans85.7-155.3178.700000112T151 S152G136-T151 CarbonylContact O-C 3.59Å; G136-T151 VanDerWaalsContact O-CA 3.28Å; G136-T151 WeakPolarHBondContact O-CA 2.97Å; G136-S152 PolarHBondContact N-O 2.88Å; G136-S152 PolarHBondContact O-N 3.32Å
137A94.4Very high92.7Very high57 Ų5734.6 Ų34.647%0.47119%0.188SC..EExtended strand (participates in β ladder)trans-91.3124.5-173.900000111.6Q149 V150A137-Q149 HydrophobicContact CB-CG 4.08Å; A137-V150 CarbonylContact C-O 3.57Å; A137-V150 WeakPolarHBondContact CA-O 3.24Å
138W95.1Very high93Very high36 Ų3631.9 Ų31.914%0.13617%0.173CC..EExtended strand (participates in β ladder)trans-128.3133.9-178.8-68.781.2000111.8V134 Q135 L140 Q149 V150 L261 L263 P269 H272V134-W138 HydrophobicContact CB-CD2 3.99Å; V134-W138 HydrophobicContact CB-CG 4.08Å; V134-W138 HydrophobicContact CB-CZ2 4.12Å; V134-W138 HydrophobicContact CG1-CD2 3.96Å; V134-W138 HydrophobicContact CG1-CE3 4.29Å; V134-W138 HydrophobicContact CG1-CG 4.48Å; V134-W138 HydrophobicContact CG1-CH2 4.21Å; V134-W138 HydrophobicContact CG1-CZ2 3.88Å; V134-W138 HydrophobicContact CG1-CZ3 4.42Å; Q135-W138 PolarHBondContact O-NE1 2.93Å; W138-L140 PolarHBondContact O-N 3.26Å; W138-Q149 WeakPolarHBondContact O-CA 3.34Å; W138-V150 HydrophobicContact CB-CG2 4.45Å; W138-V150 PolarHBondContact N-O 3.41Å; W138-V150 PolarHBondContact O-N 2.67Å; W138-L261 HydrophobicContact CE3-CD1 4.3Å; W138-L261 HydrophobicContact CE3-CD2 3.95Å; W138-L261 HydrophobicContact CE3-CG 4.49Å; W138-L261 HydrophobicContact CZ3-CD1 4.06Å; W138-L261 HydrophobicContact CZ3-CD2 3.96Å; W138-L263 HydrophobicContact CB-CD1 3.69Å; W138-L263 HydrophobicContact CE3-CD2 4.44Å; W138-L263 HydrophobicContact CG-CD1 4.35Å; W138-P269 HydrophobicContact CZ3-CG 4.22Å; W138-H272 AromaticContact CH2-CE1 3.96Å; W138-H272 AromaticContact CH2-NE2 3.83Å; W138-H272 AromaticContact CZ2-CD2 3.96Å; W138-H272 AromaticContact CZ2-NE2 3.8Å
139P95.8Very high93.3Very high20 Ų2030.3 Ų30.313%0.1316%0.164CC..EExtended strand (participates in β ladder)trans-75.6117.917630.7-34000110.7Y147 V148 L261 L263P139-Y147 HydrophobicContact CB-CE2 4.22Å; P139-V148 CarbonylContact C-O 3.55Å; P139-L261 HydrophobicContact CG-CB 4.22Å; P139-L261 HydrophobicContact CG-CD2 3.92Å; P139-L261 HydrophobicContact CG-CG 3.83Å; P139-L261 WeakPolarHBondContact CG-O 3.42Å; P139-L263 PolarHBondContact O-N 2.87Å
140L96.3Very high93.5Very high1 Ų128.4 Ų28.41%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-78.1-46169.5-69.7-175000111.2V116 W138 V148 V150 L243 Q262 L263 C264V116-L140 HydrophobicContact CB-CD1 4.39Å; V116-L140 HydrophobicContact CB-CD2 4.34Å; V116-L140 HydrophobicContact CG1-CD1 3.57Å; V116-L140 HydrophobicContact CG1-CD2 4.27Å; W138-L140 PolarHBondContact O-N 3.26Å; L140-V148 HydrophobicContact CB-CB 4.17Å; L140-V148 HydrophobicContact CB-CG1 3.95Å; L140-V148 HydrophobicContact CD1-CG1 3.87Å; L140-V148 HydrophobicContact CG-CG1 4.32Å; L140-V148 PolarHBondContact N-O 2.62Å; L140-V150 HydrophobicContact CD1-CG1 3.44Å; L140-V150 VanDerWaalsContact CD1-CG1 3.44Å; L140-V150 HydrophobicContact CD1-CG2 4.36Å; L140-V150 HydrophobicContact CD2-CG2 3.92Å; L140-V150 HydrophobicContact CG-CB 4.47Å; L140-V150 HydrophobicContact CG-CG1 3.82Å; L140-V150 HydrophobicContact CG-CG2 3.89Å; L140-L243 HydrophobicContact CD1-CD2 3.63Å; L140-Q262 CarbonylContact O-C 3.47Å; L140-L263 HydrophobicContact CD2-CB 3.77Å; L140-L263 HydrophobicContact CD2-CD1 3.98Å; L140-L263 HydrophobicContact CD2-CG 4.39Å; L140-L263 PolarHBondContact O-N 3.2Å; L140-C264 VanDerWaalsContact O-CB 3.29Å; L140-C264 WeakPolarHBondContact O-CB 3.07Å; L140-C264 PolarHBondContact O-N 3.42Å
141I96.6Very high93.8Very high2 Ų228.1 Ų28.11%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-138.1130.4-176.8-56.9175.1000107.3F125 L146 Y147 V148 V245 C264F125-I141 HydrophobicContact CE2-CD1 4.2Å; F125-I141 HydrophobicContact CE2-CG1 4.27Å; F125-I141 HydrophobicContact CZ-CD1 3.85Å; F125-I141 HydrophobicContact CZ-CG1 4.39Å; I141-L146 HydrophobicContact CD1-CD2 4.38Å; I141-Y147 CarbonylContact O-C 3.51Å; I141-Y147 WeakPolarHBondContact O-CA 3.34Å; I141-V148 HydrophobicContact CB-CB 4.04Å; I141-V148 HydrophobicContact CB-CG2 4.03Å; I141-V148 HydrophobicContact CD1-CG2 4.1Å; I141-V148 HydrophobicContact CG1-CB 4.39Å; I141-V148 HydrophobicContact CG1-CG2 4.36Å; I141-V148 PolarHBondContact N-O 3.37Å; I141-V148 PolarHBondContact O-N 3.15Å; I141-V245 HydrophobicContact CD1-CB 4.32Å; I141-V245 HydrophobicContact CD1-CG1 3.88Å; I141-V245 HydrophobicContact CD1-CG2 4.1Å; I141-C264 HydrophobicContact CG1-CB 4.02Å
142D95Very high93.9Very high31 Ų3128 Ų2817%0.16616%0.155CC..EExtended strand (participates in β ladder)trans-141.990169.2-173.911.1000109.5Y147 K172 F255 H259 Q262D142-Y147 HydrophobicContact CB-CD2 3.84Å; D142-Y147 HydrophobicContact CB-CE2 4.22Å; D142-K172 IonicContact OD1-NZ 2.99Å; D142-K172 PolarHBondContact OD1-NZ 2.78Å; D142-F255 WeakPolarHBondContact O-CB 3.5Å; D142-H259 PolarHBondContact O-ND1 3.3Å; D142-H259 IonicContact OD1-CE1 2.89Å; D142-H259 PolarHBondContact OD1-CE1 3.48Å; D142-H259 IonicContact OD1-ND1 3.44Å; D142-H259 IonicContact OD2-CD2 3.58Å; D142-H259 IonicContact OD2-CE1 3.21Å; D142-H259 IonicContact OD2-CG 3.86Å; D142-H259 IonicContact OD2-ND1 2.82Å; D142-H259 PolarHBondContact OD2-ND1 2.91Å; D142-H259 IonicContact OD2-NE2 3.5Å; D142-Q262 HydrophobicContact CB-CG 4.19Å; D142-Q262 PolarHBondContact O-NE2 2.87Å; D142-Q262 PolarHBondContact O-OE1 2.9Å
143N92.7Very high94Very high2 Ų230.7 Ų30.71%0.01117%0.171CC..SBendtrans-126.8-179.2-179.571.728.9000111Y145 L146 K172 V251 A254 F255N143-Y145 PolarHBondContact O-N 2.7Å; N143-Y145 WeakPolarHBondContact OD1-CA 3.34Å; N143-Y145 WeakPolarHBondContact OD1-CB 3.12Å; N143-Y145 PolarHBondContact OD1-N 3.09Å; N143-L146 PolarHBondContact N-O 3.15Å; N143-L146 VanDerWaalsContact N-O 3.08Å; N143-L146 PolarHBondContact OD1-N 2.85Å; N143-L146 PolarHBondContact OD1-O 3.44Å; N143-K172 WeakPolarHBondContact O-CE 3.45Å; N143-K172 PolarHBondContact O-NZ 3.16Å; N143-V251 PolarHBondContact ND2-O 3.06Å; N143-V251 VanDerWaalsContact ND2-O 3.17Å; N143-A254 WeakPolarHBondContact CB-O 3.34Å; N143-F255 HydrophobicContact CB-CB 3.93Å
144D91.4Very high94Very high92 Ų9232.2 Ų32.249%0.49218%0.18SC..SBendtrans-61.5-15.9-175.6-70.9-12.4000114.1A254D144-A254 WeakPolarHBondContact CB-O 3.28Å; D144-A254 VanDerWaalsContact CG-O 3.24Å; D144-A254 PolarHBondContact N-O 3.34Å
145Y93.8Very high93.6Very high38 Ų3834.6 Ų34.615%0.14920%0.199CC..SBendtrans-112.7-33.9-171.5-56.3-83.3000114.2N143 K172 W174 I228 V251 A254N143-Y145 PolarHBondContact O-N 2.7Å; N143-Y145 WeakPolarHBondContact OD1-CA 3.34Å; N143-Y145 WeakPolarHBondContact OD1-CB 3.12Å; N143-Y145 PolarHBondContact OD1-N 3.09Å; Y145-K172 WeakPolarHBondContact O-CB 3.35Å; Y145-K172 PolarHBondContact O-N 3.38Å; Y145-W174 AromaticContact CD1-CD2 3.92Å; Y145-W174 HydrophobicContact CD1-CD2 3.92Å; Y145-W174 AromaticContact CD1-CE3 3.63Å; Y145-W174 HydrophobicContact CD1-CE3 3.63Å; Y145-W174 HydrophobicContact CD1-CH2 4.25Å; Y145-W174 AromaticContact CD1-CZ3 3.8Å; Y145-W174 HydrophobicContact CD1-CZ3 3.8Å; Y145-W174 AromaticContact CE1-CD2 3.71Å; Y145-W174 HydrophobicContact CE1-CD2 3.71Å; Y145-W174 AromaticContact CE1-CE2 3.69Å; Y145-W174 AromaticContact CE1-CE3 3.47Å; Y145-W174 HydrophobicContact CE1-CE3 3.47Å; Y145-W174 VanDerWaalsContact CE1-CE3 3.47Å; Y145-W174 AromaticContact CE1-CH2 3.26Å; Y145-W174 HydrophobicContact CE1-CH2 3.26Å; Y145-W174 AromaticContact CE1-CZ2 3.51Å; Y145-W174 HydrophobicContact CE1-CZ2 3.51Å; Y145-W174 AromaticContact CE1-CZ3 3.23Å; Y145-W174 HydrophobicContact CE1-CZ3 3.23Å; Y145-W174 AromaticContact CZ-CH2 3.71Å; Y145-W174 AromaticContact CZ-CZ3 3.9Å; Y145-W174 WeakPolarHBondContact OH-CH2 3.16Å; Y145-I228 HydrophobicContact CD1-CG2 3.34Å; Y145-I228 HydrophobicContact CE1-CG2 3.92Å; Y145-I228 HydrophobicContact CG-CG2 3.82Å; Y145-V251 HydrophobicContact CD2-CB 4.35Å; Y145-V251 HydrophobicContact CD2-CG1 3.71Å; Y145-V251 HydrophobicContact CD2-CG2 4.46Å; Y145-V251 HydrophobicContact CE2-CB 4.44Å; Y145-V251 HydrophobicContact CE2-CG1 4.28Å; Y145-V251 HydrophobicContact CE2-CG2 4.3Å; Y145-V251 HydrophobicContact CG-CG1 4.16Å; Y145-A254 HydrophobicContact CD2-CB 4.28Å; Y145-A254 HydrophobicContact CE2-CB 3.59Å
146L94.8Very high92.7Very high4 Ų432.1 Ų32.12%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-144.1138-167.7-166.475.4000110I141 N143 V148 I169 I170 F171 L232I141-L146 HydrophobicContact CD1-CD2 4.38Å; N143-L146 PolarHBondContact N-O 3.15Å; N143-L146 VanDerWaalsContact N-O 3.08Å; N143-L146 PolarHBondContact OD1-N 2.85Å; N143-L146 PolarHBondContact OD1-O 3.44Å; L146-V148 HydrophobicContact CD2-CG2 3.47Å; L146-V148 VanDerWaalsContact CD2-CG2 3.47Å; L146-V148 HydrophobicContact CG-CG2 3.79Å; L146-I169 HydrophobicContact CD1-CG2 3.66Å; L146-I169 HydrophobicContact CG-CG2 4.35Å; L146-I170 WeakPolarHBondContact CA-O 3.28Å; L146-F171 HydrophobicContact CD1-CD1 3.39Å; L146-F171 HydrophobicContact CD1-CE1 3.5Å; L146-F171 HydrophobicContact CD1-CG 3.95Å; L146-F171 HydrophobicContact CD1-CZ 4.14Å; L146-L232 HydrophobicContact CD2-CD2 3.92Å
147Y96.8Very high91.1Very high53 Ų5340.5 Ų40.521%0.20823%0.227CC..EExtended strand (participates in β ladder)trans-118.4126.4165.1177.3-98000109P139 I141 D142 Q149 I169 I170P139-Y147 HydrophobicContact CB-CE2 4.22Å; I141-Y147 CarbonylContact O-C 3.51Å; I141-Y147 WeakPolarHBondContact O-CA 3.34Å; D142-Y147 HydrophobicContact CB-CD2 3.84Å; D142-Y147 HydrophobicContact CB-CE2 4.22Å; Y147-Q149 HydrophobicContact CE1-CB 3.69Å; Y147-Q149 PolarHBondContact OH-OE1 2.86Å; Y147-I169 CarbonylContact O-C 3.53Å; Y147-I169 WeakPolarHBondContact O-CA 3.33Å; Y147-I170 HydrophobicContact CD1-CD1 3.86Å; Y147-I170 HydrophobicContact CD1-CG1 4.24Å; Y147-I170 PolarHBondContact N-O 3.36Å; Y147-I170 PolarHBondContact O-N 2.61Å
148V98.3Very high89.4Confident0 Ų041.9 Ų41.90%025%0.248CC..EExtended strand (participates in β ladder)trans-125.8123.6178.8-178.60000108.3P139 L140 I141 L146 T168 I169 L232 L243P139-V148 CarbonylContact C-O 3.55Å; L140-V148 HydrophobicContact CB-CB 4.17Å; L140-V148 HydrophobicContact CB-CG1 3.95Å; L140-V148 HydrophobicContact CD1-CG1 3.87Å; L140-V148 HydrophobicContact CG-CG1 4.32Å; L140-V148 PolarHBondContact N-O 2.62Å; I141-V148 HydrophobicContact CB-CB 4.04Å; I141-V148 HydrophobicContact CB-CG2 4.03Å; I141-V148 HydrophobicContact CD1-CG2 4.1Å; I141-V148 HydrophobicContact CG1-CB 4.39Å; I141-V148 HydrophobicContact CG1-CG2 4.36Å; I141-V148 PolarHBondContact N-O 3.37Å; I141-V148 PolarHBondContact O-N 3.15Å; L146-V148 HydrophobicContact CD2-CG2 3.47Å; L146-V148 VanDerWaalsContact CD2-CG2 3.47Å; L146-V148 HydrophobicContact CG-CG2 3.79Å; V148-T168 WeakPolarHBondContact CA-O 3.38Å; V148-I169 HydrophobicContact CG1-CG1 4.28Å; V148-I169 HydrophobicContact CG2-CG1 4.37Å; V148-I169 HydrophobicContact CG2-CG2 4.23Å; V148-L232 HydrophobicContact CG2-CD2 4.29Å; V148-L243 HydrophobicContact CG1-CD2 3.39Å
149Q97.6Very high87.9Confident46 Ų4643 Ų4322%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-123.2138.5177.4-174.4-175.3-93.900109.8A137 W138 Y147 T168A137-Q149 HydrophobicContact CB-CG 4.08Å; W138-Q149 WeakPolarHBondContact O-CA 3.34Å; Y147-Q149 HydrophobicContact CE1-CB 3.69Å; Y147-Q149 PolarHBondContact OH-OE1 2.86Å; Q149-T168 PolarHBondContact N-O 2.69Å; Q149-T168 PolarHBondContact O-N 3.16Å
150V97.3Very high86.8Confident2 Ų249.1 Ų49.11%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-116142170.6-65.30000110V116 A137 W138 L140 V164 K166 I167V116-V150 HydrophobicContact CG1-CG1 4.12Å; A137-V150 CarbonylContact C-O 3.57Å; A137-V150 WeakPolarHBondContact CA-O 3.24Å; W138-V150 HydrophobicContact CB-CG2 4.45Å; W138-V150 PolarHBondContact N-O 3.41Å; W138-V150 PolarHBondContact O-N 2.67Å; L140-V150 HydrophobicContact CD1-CG1 3.44Å; L140-V150 VanDerWaalsContact CD1-CG1 3.44Å; L140-V150 HydrophobicContact CD1-CG2 4.36Å; L140-V150 HydrophobicContact CD2-CG2 3.92Å; L140-V150 HydrophobicContact CG-CB 4.47Å; L140-V150 HydrophobicContact CG-CG1 3.82Å; L140-V150 HydrophobicContact CG-CG2 3.89Å; V150-V164 HydrophobicContact CB-CG1 3.99Å; V150-V164 HydrophobicContact CG1-CG1 4.25Å; V150-K166 CarbonylContact C-O 3.54Å; V150-K166 WeakPolarHBondContact CA-O 3.34Å; V150-I167 HydrophobicContact CG1-CG1 4.07Å
151T96.4Very high86.1Confident23 Ų2351.1 Ų51.114%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-111.2123.2172.7-48.10000108.9G136 T165 K166G136-T151 CarbonylContact O-C 3.59Å; G136-T151 VanDerWaalsContact O-CA 3.28Å; G136-T151 WeakPolarHBondContact O-CA 2.97Å; T151-T165 PolarHBondContact O-N 3.29Å; T151-T165 PolarHBondContact O-OG1 3.33Å; T151-K166 PolarHBondContact N-O 3.03Å; T151-K166 PolarHBondContact O-N 3.01Å; T151-K166 WeakPolarHBondContact OG1-CE 3.46Å
152S93.9Very high85.7Confident1 Ų151.4 Ų51.41%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-110.7136.9178.6-63.90000110.6V134 G136 V163V134-S152 WeakPolarHBondContact O-CB 3.29Å; G136-S152 PolarHBondContact N-O 2.88Å; G136-S152 PolarHBondContact O-N 3.32Å; S152-V163 CarbonylContact C-O 3.54Å; S152-V163 VanDerWaalsContact CA-O 3.24Å; S152-V163 WeakPolarHBondContact CA-O 3.33Å
153T91.5Very high85.5Confident55 Ų5551.4 Ų51.434%0.33730%0.297SS..EExtended strand (participates in β ladder)trans-121.9147.2177.155.20000110.4A155 T162 V163 T165T153-A155 PolarHBondContact O-N 3.18Å; T153-T162 CarbonylContact O-C 3.58Å; T153-T162 VanDerWaalsContact O-CA 3.31Å; T153-T162 WeakPolarHBondContact O-CA 3.47Å; T153-V163 PolarHBondContact N-O 2.78Å; T153-V163 PolarHBondContact O-N 3.08Å; T153-T165 HydrophobicContact CG2-CG2 4.41Å; T153-T165 WeakPolarHBondContact OG1-CG2 3.1Å
154P87.1Confident85.6Confident56 Ų5651.3 Ų51.336%0.36430%0.297SS..EExtended strand (participates in β ladder)trans-57.6132.7174.4-22.233.6000111.1Q135 S156 H161Q135-P154 HydrophobicContact CG-CG 4.39Å; P154-S156 VanDerWaalsContact C-N 3.33Å; P154-H161 CarbonylContact C-O 3.59Å; P154-H161 WeakPolarHBondContact CA-O 3.43Å
155A78.4Confident85.8Confident51 Ų5148.3 Ų48.342%0.42128%0.281SS..SBendtrans-74.3-26.7178.100000112.1T153 H161 V163T153-A155 PolarHBondContact O-N 3.18Å; A155-H161 HydrophobicContact CB-CB 4.42Å; A155-H161 PolarHBondContact N-O 3.02Å; A155-V163 HydrophobicContact CB-CG1 4.26Å
156S70.9Confident86Confident76 Ų7649.6 Ų49.653%0.53129%0.288SS..SBendtrans-152.9155.3177.3-75.40000110.7P154 G158 T159P154-S156 VanDerWaalsContact C-N 3.33Å; S156-G158 PolarHBondContact O-N 2.72Å; S156-T159 PolarHBondContact O-OG1 3.34Å
157H58.4Low86.2Confident204 Ų20449.4 Ų49.494%0.94429%0.287SS*.THydrogen-bonded Turntrans-64.3124.6-179.9-99.7-89.3000111
158G59.3Low86.3Confident87 Ų8747.6 Ų47.690%0.89728%0.281SS*.THydrogen-bonded Turntrans87.40.3170.800000116.2S156S156-G158 PolarHBondContact O-N 2.72Å
159T64.4Low86.3Confident59 Ų5947.6 Ų47.636%0.36228%0.281SS..SBendtrans-97.7150173.655.50000111.6S156 H161S156-T159 PolarHBondContact O-OG1 3.34Å; T159-H161 PolarHBondContact O-N 3.23Å; T159-H161 VanDerWaalsContact O-N 3.12Å
160H72.1Confident86.3Confident148 Ų14847.6 Ų47.669%0.68528%0.282SS*.SBendtrans-69.2-0.2168.2-67.6-64.4000113.3A133 T162A133-H160 HydrophobicContact CB-CB 4.16Å; H160-T162 PolarHBondContact O-N 3.2Å
161H81.1Confident86.3Confident44 Ų4447.5 Ų47.520%0.20428%0.282CS..  trans-75.6120.1-179.3-58.8-54.3000112.5D119 P154 A155 T159 F307 A311D119-H161 WeakPolarHBondContact OD2-CA 3.17Å; D119-H161 WeakPolarHBondContact OD2-CB 3.46Å; D119-H161 IonicContact OD2-CG 3.54Å; D119-H161 IonicContact OD2-ND1 2.87Å; D119-H161 PolarHBondContact OD2-ND1 3.35Å; P154-H161 CarbonylContact C-O 3.59Å; P154-H161 WeakPolarHBondContact CA-O 3.43Å; A155-H161 HydrophobicContact CB-CB 4.42Å; A155-H161 PolarHBondContact N-O 3.02Å; T159-H161 PolarHBondContact O-N 3.23Å; T159-H161 VanDerWaalsContact O-N 3.12Å; H161-F307 AromaticContact CE1-CZ 3.7Å; H161-F307 AromaticContact ND1-CE1 3.85Å; H161-F307 AromaticContact ND1-CZ 3.83Å; H161-A311 WeakPolarHBondContact CE1-CB 3.19Å; H161-A311 VanDerWaalsContact ND1-CB 3.27Å; H161-A311 WeakPolarHBondContact ND1-CB 3.03Å; H161-A311 WeakPolarHBondContact NE2-CB 3.36Å
162T88Confident86.1Confident7 Ų748.9 Ų48.94%0.04329%0.286CS..EExtended strand (participates in β ladder)trans-121.4160.3177.962.80000110.4D119 P120 T153 H160D119-T162 WeakPolarHBondContact CA-O 3.05Å; D119-T162 WeakPolarHBondContact CB-O 3.42Å; D119-T162 VanDerWaalsContact CG-N 3.34Å; D119-T162 WeakPolarHBondContact OD1-CA 3.42Å; D119-T162 PolarHBondContact OD1-N 2.94Å; D119-T162 PolarHBondContact OD1-OG1 3.4Å; D119-T162 PolarHBondContact OD2-N 3.4Å; P120-T162 WeakPolarHBondContact CD-OG1 3.42Å; T153-T162 CarbonylContact O-C 3.58Å; T153-T162 VanDerWaalsContact O-CA 3.31Å; T153-T162 WeakPolarHBondContact O-CA 3.47Å; H160-T162 PolarHBondContact O-N 3.2Å
163V90.9Very high85.8Confident32 Ų3252.4 Ų52.419%0.19431%0.311CS..EExtended strand (participates in β ladder)trans-136145.3173.2-71.80000109.1S152 T153 A155 T165S152-V163 CarbonylContact C-O 3.54Å; S152-V163 VanDerWaalsContact CA-O 3.24Å; S152-V163 WeakPolarHBondContact CA-O 3.33Å; T153-V163 PolarHBondContact N-O 2.78Å; T153-V163 PolarHBondContact O-N 3.08Å; A155-V163 HydrophobicContact CB-CG1 4.26Å; V163-T165 HydrophobicContact CG2-CG2 3.99Å; V163-T165 PolarHBondContact O-N 2.85Å
164V95.3Very high85.5Confident0 Ų052.3 Ų52.30%030%0.304CS..EExtended strand (participates in β ladder)trans-76.3118.5176.5-1760000108.5V116 P120 V150 I167 S240 L241V116-V164 HydrophobicContact CG2-CG2 4.13Å; P120-V164 HydrophobicContact CB-CG2 4.06Å; V150-V164 HydrophobicContact CB-CG1 3.99Å; V150-V164 HydrophobicContact CG1-CG1 4.25Å; V164-I167 HydrophobicContact CG1-CG1 4.04Å; V164-S240 PolarHBondContact N-OG 2.93Å; V164-L241 HydrophobicContact CB-CB 4.38Å; V164-L241 HydrophobicContact CG1-CB 4.12Å; V164-L241 WeakPolarHBondContact O-CB 3.41Å; V164-L241 PolarHBondContact O-N 3.41Å
165T95.7Very high85.1Confident28 Ų2855.2 Ų55.217%0.17231%0.308CS..EExtended strand (participates in β ladder)trans-111.8-17.7-17653.60000113.8T151 T153 V163 E186 L187 L241T151-T165 PolarHBondContact O-N 3.29Å; T151-T165 PolarHBondContact O-OG1 3.33Å; T153-T165 HydrophobicContact CG2-CG2 4.41Å; T153-T165 WeakPolarHBondContact OG1-CG2 3.1Å; V163-T165 HydrophobicContact CG2-CG2 3.99Å; V163-T165 PolarHBondContact O-N 2.85Å; T165-E186 WeakPolarHBondContact O-CA 3.42Å; T165-L187 HydrophobicContact CG2-CD1 3.79Å; T165-L187 HydrophobicContact CG2-CG 4.3Å; T165-L187 PolarHBondContact O-N 3.03Å; T165-L241 WeakPolarHBondContact O-CD1 3.26Å
166K97.9Very high85.1Confident65 Ų6558.4 Ų58.428%0.28331%0.314SS..EExtended strand (participates in β ladder)trans-143.7137.6175.9-178.2171.265.5-176.90111.5V150 T151 Q184 A185 E186V150-K166 CarbonylContact C-O 3.54Å; V150-K166 WeakPolarHBondContact CA-O 3.34Å; T151-K166 PolarHBondContact N-O 3.03Å; T151-K166 PolarHBondContact O-N 3.01Å; T151-K166 WeakPolarHBondContact OG1-CE 3.46Å; K166-Q184 HydrophobicContact CD-CG 4.44Å; K166-Q184 HydrophobicContact CG-CG 4.37Å; K166-A185 CarbonylContact C-O 3.54Å; K166-A185 WeakPolarHBondContact CA-O 3.39Å; K166-E186 HydrophobicContact CB-CG 4.21Å; K166-E186 HydrophobicContact CD-CG 4.05Å; K166-E186 WeakPolarHBondContact CD-OE1 3.33Å; K166-E186 HydrophobicContact CG-CG 3.89Å
167I98.5Very high85.7Confident0 Ų054.9 Ų54.90%029%0.289CS..EExtended strand (participates in β ladder)trans-120.4130172.8-65.5163.6000108V150 V164 I169 Q184 A185 V234 L241 L243V150-I167 HydrophobicContact CG1-CG1 4.07Å; V164-I167 HydrophobicContact CG1-CG1 4.04Å; I167-I169 HydrophobicContact CG2-CD1 4.08Å; I167-I169 HydrophobicContact CG2-CG1 3.93Å; I167-Q184 WeakPolarHBondContact O-CA 3.38Å; I167-A185 PolarHBondContact N-O 3.08Å; I167-A185 PolarHBondContact O-N 2.82Å; I167-V234 HydrophobicContact CD1-CG1 3.74Å; I167-V234 HydrophobicContact CD1-CG2 4.43Å; I167-V234 HydrophobicContact CG2-CG2 4.37Å; I167-L241 HydrophobicContact CD1-CB 3.66Å; I167-L241 HydrophobicContact CD1-CD1 4.1Å; I167-L241 HydrophobicContact CD1-CG 4.49Å; I167-L241 HydrophobicContact CG1-CB 4.25Å; I167-L241 HydrophobicContact CG1-CD1 4.1Å; I167-L243 HydrophobicContact CD1-CB 4.05Å; I167-L243 HydrophobicContact CG2-CD1 4.46Å
168T98.5Very high87Confident16 Ų1645.5 Ų45.510%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-124.5125.6176.1-55.40000108.9V148 Q149 L182V148-T168 WeakPolarHBondContact CA-O 3.38Å; Q149-T168 PolarHBondContact N-O 2.69Å; Q149-T168 PolarHBondContact O-N 3.16Å; T168-L182 HydrophobicContact CG2-CD1 3.69Å
169I98.6Very high88.4Confident0 Ų047.3 Ų47.30%024%0.235CC..EExtended strand (participates in β ladder)trans-125.3122.5-179-56164.9000107.9L146 Y147 V148 I167 F171 Y183 I223 L232 V234 L243L146-I169 HydrophobicContact CD1-CG2 3.66Å; L146-I169 HydrophobicContact CG-CG2 4.35Å; Y147-I169 CarbonylContact O-C 3.53Å; Y147-I169 WeakPolarHBondContact O-CA 3.33Å; V148-I169 HydrophobicContact CG1-CG1 4.28Å; V148-I169 HydrophobicContact CG2-CG1 4.37Å; V148-I169 HydrophobicContact CG2-CG2 4.23Å; I167-I169 HydrophobicContact CG2-CD1 4.08Å; I167-I169 HydrophobicContact CG2-CG1 3.93Å; I169-F171 HydrophobicContact CB-CE2 4.34Å; I169-F171 HydrophobicContact CG2-CD2 4.1Å; I169-F171 HydrophobicContact CG2-CE1 4.29Å; I169-F171 HydrophobicContact CG2-CE2 3.5Å; I169-F171 HydrophobicContact CG2-CZ 3.6Å; I169-Y183 HydrophobicContact CD1-CD1 3.85Å; I169-Y183 HydrophobicContact CD1-CE1 4.5Å; I169-Y183 HydrophobicContact CG1-CD1 4.43Å; I169-Y183 PolarHBondContact N-O 3.01Å; I169-Y183 PolarHBondContact O-N 3.13Å; I169-I223 HydrophobicContact CD1-CD1 3.93Å; I169-L232 HydrophobicContact CD1-CD2 3.94Å; I169-L232 HydrophobicContact CG1-CD2 4.48Å; I169-L232 HydrophobicContact CG2-CD2 4.22Å; I169-V234 HydrophobicContact CD1-CG2 4.15Å; I169-L243 HydrophobicContact CD1-CD1 4.09Å
170I97.8Very high89.8Confident45 Ų4550.6 Ų50.623%0.23125%0.247CC..EExtended strand (participates in β ladder)trans-112111.2175-53175.5000108L146 Y147 K172 Q180 Q181 L182L146-I170 WeakPolarHBondContact CA-O 3.28Å; Y147-I170 HydrophobicContact CD1-CD1 3.86Å; Y147-I170 HydrophobicContact CD1-CG1 4.24Å; Y147-I170 PolarHBondContact N-O 3.36Å; Y147-I170 PolarHBondContact O-N 2.61Å; I170-K172 PolarHBondContact O-N 3.13Å; I170-Q180 HydrophobicContact CG2-CG 3.92Å; I170-Q181 WeakPolarHBondContact CA-O 3.47Å; I170-L182 HydrophobicContact CG1-CD1 3.9Å
171F96.8Very high90.9Very high0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-79.2108.7167.5-62.7-84.6000107.6L146 I169 Q180 Q181 F194 L210 I223 A225 L232L146-F171 HydrophobicContact CD1-CD1 3.39Å; L146-F171 HydrophobicContact CD1-CE1 3.5Å; L146-F171 HydrophobicContact CD1-CG 3.95Å; L146-F171 HydrophobicContact CD1-CZ 4.14Å; I169-F171 HydrophobicContact CB-CE2 4.34Å; I169-F171 HydrophobicContact CG2-CD2 4.1Å; I169-F171 HydrophobicContact CG2-CE1 4.29Å; I169-F171 HydrophobicContact CG2-CE2 3.5Å; I169-F171 HydrophobicContact CG2-CZ 3.6Å; F171-Q180 VanDerWaalsContact O-CA 3.26Å; F171-Q180 WeakPolarHBondContact O-CA 3.22Å; F171-Q180 WeakPolarHBondContact O-CG 3.33Å; F171-Q181 HydrophobicContact CB-CB 4.16Å; F171-Q181 HydrophobicContact CD2-CB 4.3Å; F171-Q181 PolarHBondContact N-O 3.01Å; F171-Q181 PolarHBondContact O-N 2.85Å; F171-F194 HydrophobicContact CD2-CE1 4.1Å; F171-F194 AromaticContact CE2-CE1 3.86Å; F171-F194 HydrophobicContact CE2-CE1 3.86Å; F171-L210 HydrophobicContact CB-CD2 3.97Å; F171-L210 HydrophobicContact CD1-CD1 3.89Å; F171-L210 HydrophobicContact CD1-CD2 4.21Å; F171-L210 HydrophobicContact CD2-CD1 4.38Å; F171-L210 HydrophobicContact CD2-CD2 4.04Å; F171-L210 HydrophobicContact CE1-CD1 3.81Å; F171-L210 HydrophobicContact CE2-CD1 4.3Å; F171-L210 HydrophobicContact CG-CD1 4.19Å; F171-L210 HydrophobicContact CG-CD2 3.79Å; F171-L210 HydrophobicContact CZ-CD1 4.03Å; F171-I223 HydrophobicContact CE1-CG2 4.3Å; F171-I223 HydrophobicContact CE2-CG2 3.93Å; F171-I223 HydrophobicContact CZ-CB 4.33Å; F171-I223 HydrophobicContact CZ-CD1 4.46Å; F171-I223 HydrophobicContact CZ-CG2 3.46Å; F171-I223 VanDerWaalsContact CZ-CG2 3.46Å; F171-A225 HydrophobicContact CD1-CB 4.13Å; F171-A225 HydrophobicContact CE1-CB 3.83Å; F171-L232 HydrophobicContact CE1-CD1 3.89Å; F171-L232 HydrophobicContact CZ-CD1 3.92Å
172K92.4Very high91.6Very high53 Ų5345.4 Ų45.423%0.2322%0.224CC..  trans-68.2144.7179.4-59.8179.3-178.1177.10108.7D142 N143 Y145 I170 W174D142-K172 IonicContact OD1-NZ 2.99Å; D142-K172 PolarHBondContact OD1-NZ 2.78Å; N143-K172 WeakPolarHBondContact O-CE 3.45Å; N143-K172 PolarHBondContact O-NZ 3.16Å; Y145-K172 WeakPolarHBondContact O-CB 3.35Å; Y145-K172 PolarHBondContact O-N 3.38Å; I170-K172 PolarHBondContact O-N 3.13Å; K172-W174 PolarHBondContact O-N 3.19Å
173S89.1Confident92.1Very high75 Ų7545 Ų4552%0.52422%0.222SC..  trans-59.9135.9178.257.50000110.1
174W83.4Confident92.5Very high53 Ų5346.9 Ų46.920%0.20123%0.229CC..BIsolated β-bridgetrans-132.7111.2-175.9-175.6-107000111.5Y145 K172 Q176 C177 T178 Y227Y145-W174 AromaticContact CD1-CD2 3.92Å; Y145-W174 HydrophobicContact CD1-CD2 3.92Å; Y145-W174 AromaticContact CD1-CE3 3.63Å; Y145-W174 HydrophobicContact CD1-CE3 3.63Å; Y145-W174 HydrophobicContact CD1-CH2 4.25Å; Y145-W174 AromaticContact CD1-CZ3 3.8Å; Y145-W174 HydrophobicContact CD1-CZ3 3.8Å; Y145-W174 AromaticContact CE1-CD2 3.71Å; Y145-W174 HydrophobicContact CE1-CD2 3.71Å; Y145-W174 AromaticContact CE1-CE2 3.69Å; Y145-W174 AromaticContact CE1-CE3 3.47Å; Y145-W174 HydrophobicContact CE1-CE3 3.47Å; Y145-W174 VanDerWaalsContact CE1-CE3 3.47Å; Y145-W174 AromaticContact CE1-CH2 3.26Å; Y145-W174 HydrophobicContact CE1-CH2 3.26Å; Y145-W174 AromaticContact CE1-CZ2 3.51Å; Y145-W174 HydrophobicContact CE1-CZ2 3.51Å; Y145-W174 AromaticContact CE1-CZ3 3.23Å; Y145-W174 HydrophobicContact CE1-CZ3 3.23Å; Y145-W174 AromaticContact CZ-CH2 3.71Å; Y145-W174 AromaticContact CZ-CZ3 3.9Å; Y145-W174 WeakPolarHBondContact OH-CH2 3.16Å; K172-W174 PolarHBondContact O-N 3.19Å; W174-Q176 PolarHBondContact O-N 2.61Å; W174-C177 WeakPolarHBondContact O-CB 3.38Å; W174-C177 PolarHBondContact O-N 3.32Å; W174-T178 PolarHBondContact N-O 3.06Å; W174-Y227 HydrophobicContact CB-CD2 3.83Å; W174-Y227 HydrophobicContact CB-CE2 3.65Å; W174-Y227 AromaticContact CD1-CD2 3.73Å; W174-Y227 AromaticContact CG-CD2 3.97Å; W174-Y227 HydrophobicContact CG-CD2 3.97Å; W174-Y227 HydrophobicContact CG-CE2 4.16Å
175R78.7Confident92.6Very high117 Ų11746.9 Ų46.944%0.44223%0.229SC..THydrogen-bonded Turntrans52.8-126.1177.3-45.8-165.3158-119.36.3110.1Q87Q87-R175 VanDerWaalsContact CG-NH1 3.32Å
176Q79.4Confident92.7Very high117 Ų11749.4 Ų49.455%0.54724%0.239SC..THydrogen-bonded Turntrans-105.210.9170.2-55.9175.53.600111.1W174 R204W174-Q176 PolarHBondContact O-N 2.61Å; Q176-R204 PolarHBondContact O-NE 3.02Å; Q176-R204 PolarHBondContact O-NH2 3.44Å
177C82.8Confident92.5Very high2 Ų248.5 Ų48.51%0.01424%0.237CC..THydrogen-bonded Turntrans-78.4-45.2-171.2-57.80000112.2C95 W174 G202 V209 Y227C95-C177 WeakPolarHBondContact CA-SG 3.49Å; C95-C177 HydrophobicContact CB-CB 3.69Å; C95-C177 WeakPolarHBondContact CB-SG 3.32Å; C95-C177 WeakPolarHBondContact SG-CA 3.48Å; C95-C177 WeakPolarHBondContact SG-CB 3.5Å; C95-C177 CovalentContact SG-SG 2.04Å; C95-C177 PolarHBondContact SG-SG 3.17Å; W174-C177 WeakPolarHBondContact O-CB 3.38Å; W174-C177 PolarHBondContact O-N 3.32Å; C177-G202 WeakPolarHBondContact O-CA 3.45Å; C177-V209 VanDerWaalsContact O-CG2 3.28Å; C177-V209 WeakPolarHBondContact O-CG2 3.45Å; C177-Y227 HydrophobicContact CB-CG 4.43Å
178T87.2Confident92.2Very high7 Ų754.5 Ų54.54%0.04327%0.269CS..BIsolated β-bridgetrans-155.8145.7-179-174.50000109.7W174 S201 Y227W174-T178 PolarHBondContact N-O 3.06Å; T178-S201 PolarHBondContact OG1-OG 2.86Å; T178-Y227 HydrophobicContact CG2-CD1 4Å; T178-Y227 HydrophobicContact CG2-CD2 4.31Å; T178-Y227 HydrophobicContact CG2-CE1 3.61Å; T178-Y227 HydrophobicContact CG2-CE2 3.95Å; T178-Y227 HydrophobicContact CG2-CG 4.35Å
179D88.2Confident92Very high126 Ų12659.2 Ų59.267%0.67429%0.289SS*.  trans-73.8169167.4-63.9-45.4000110.4Q181D179-Q181 PolarHBondContact O-N 2.84Å
180Q93Very high92Very high127 Ų12759.2 Ų59.259%0.59329%0.289SS*.  trans-62.1132.3176.9-174.4-178.1-72.900110I170 F171I170-Q180 HydrophobicContact CG2-CG 3.92Å; F171-Q180 VanDerWaalsContact O-CA 3.26Å; F171-Q180 WeakPolarHBondContact O-CA 3.22Å; F171-Q180 WeakPolarHBondContact O-CG 3.33Å
181Q95.4Very high91.9Very high21 Ų2158.3 Ų58.310%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-127.7141.3-179.9-78.1-67.1-21.300111.4I170 F171 D179 F194 D196 L210I170-Q181 WeakPolarHBondContact CA-O 3.47Å; F171-Q181 HydrophobicContact CB-CB 4.16Å; F171-Q181 HydrophobicContact CD2-CB 4.3Å; F171-Q181 PolarHBondContact N-O 3.01Å; F171-Q181 PolarHBondContact O-N 2.85Å; D179-Q181 PolarHBondContact O-N 2.84Å; Q181-F194 HydrophobicContact CB-CD1 4.22Å; Q181-F194 HydrophobicContact CB-CE1 4.46Å; Q181-D196 PolarHBondContact NE2-OD2 3.21Å; Q181-D196 PolarHBondContact OE1-OD2 3.44Å; Q181-L210 HydrophobicContact CB-CD2 3.8Å; Q181-L210 HydrophobicContact CG-CD2 4Å
182L96.9Very high91.9Very high62 Ų6259.7 Ų59.733%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-114.4127-179.5174.966000109T168 I170 F194 A195T168-L182 HydrophobicContact CG2-CD1 3.69Å; I170-L182 HydrophobicContact CG1-CD1 3.9Å; L182-F194 WeakPolarHBondContact O-CB 3.21Å; L182-A195 HydrophobicContact CB-CB 4.08Å; L182-A195 HydrophobicContact CD2-CB 3.89Å; L182-A195 HydrophobicContact CG-CB 3.95Å; L182-A195 WeakPolarHBondContact O-CB 3.37Å; L182-A195 PolarHBondContact O-N 3.08Å
183Y98.6Very high92.1Very high0 Ų058.2 Ų58.20%030%0.295CS..EExtended strand (participates in β ladder)trans-116.9135.5167.8178.9-86.7000109.3I169 A185 V190 P191 A193 V212 A221 I223 V234I169-Y183 HydrophobicContact CD1-CD1 3.85Å; I169-Y183 HydrophobicContact CD1-CE1 4.5Å; I169-Y183 HydrophobicContact CG1-CD1 4.43Å; I169-Y183 PolarHBondContact N-O 3.01Å; I169-Y183 PolarHBondContact O-N 3.13Å; Y183-A185 HydrophobicContact CE1-CB 3.81Å; Y183-V190 WeakPolarHBondContact OH-CG1 3.39Å; Y183-P191 HydrophobicContact CE2-CG 4.02Å; Y183-P191 VanDerWaalsContact CE2-O 3.24Å; Y183-P191 WeakPolarHBondContact CE2-O 3.31Å; Y183-P191 PolarHBondContact OH-O 3.33Å; Y183-A193 WeakPolarHBondContact CD2-O 3.29Å; Y183-A193 WeakPolarHBondContact CE2-O 3.21Å; Y183-V212 HydrophobicContact CE2-CG2 4.15Å; Y183-A221 HydrophobicContact CE2-CB 4.18Å; Y183-A221 WeakPolarHBondContact OH-CB 3.34Å; Y183-I223 HydrophobicContact CD1-CD1 3.63Å; Y183-I223 HydrophobicContact CD2-CD1 3.63Å; Y183-I223 HydrophobicContact CD2-CG1 4.46Å; Y183-I223 HydrophobicContact CE1-CD1 3.96Å; Y183-I223 HydrophobicContact CE2-CD1 3.96Å; Y183-I223 HydrophobicContact CG-CD1 3.45Å; Y183-I223 VanDerWaalsContact CG-CD1 3.45Å; Y183-V234 HydrophobicContact CE1-CB 4.45Å; Y183-V234 HydrophobicContact CE1-CG2 3.93Å
184Q98.4Very high92.5Very high70 Ų7055 Ų5533%0.32727%0.272SS..EExtended strand (participates in β ladder)trans-136.4134.6176.5-176.3169.6-38.200109.4K166 I167 E186 P191K166-Q184 HydrophobicContact CD-CG 4.44Å; K166-Q184 HydrophobicContact CG-CG 4.37Å; I167-Q184 WeakPolarHBondContact O-CA 3.38Å; Q184-E186 PolarHBondContact NE2-OE1 3.41Å; Q184-P191 WeakPolarHBondContact O-CD 3.2Å; Q184-P191 VanDerWaalsContact O-CG 3.29Å; Q184-P191 WeakPolarHBondContact O-CG 3.42Å
185A98.1Very high93Very high0 Ų055.8 Ų55.80%029%0.29CS..EExtended strand (participates in β ladder)trans-127.714117200000109.4K166 I167 Y183 H189 V190 V234 L241K166-A185 CarbonylContact C-O 3.54Å; K166-A185 WeakPolarHBondContact CA-O 3.39Å; I167-A185 PolarHBondContact N-O 3.08Å; I167-A185 PolarHBondContact O-N 2.82Å; Y183-A185 HydrophobicContact CE1-CB 3.81Å; A185-H189 WeakPolarHBondContact CA-O 3.36Å; A185-V190 HydrophobicContact CB-CG1 4.37Å; A185-V190 HydrophobicContact CB-CG2 4.41Å; A185-V234 HydrophobicContact CB-CG1 3.83Å; A185-L241 HydrophobicContact CB-CD1 4.45Å
186E97.1Very high93.5Very high82 Ų8254.9 Ų54.938%0.38329%0.294SS..EExtended strand (participates in β ladder)trans-128.7168.4175.5-67.3-176.5-177.900108.9T165 K166 Q184 D188 H189T165-E186 WeakPolarHBondContact O-CA 3.42Å; K166-E186 HydrophobicContact CB-CG 4.21Å; K166-E186 HydrophobicContact CD-CG 4.05Å; K166-E186 WeakPolarHBondContact CD-OE1 3.33Å; K166-E186 HydrophobicContact CG-CG 3.89Å; Q184-E186 PolarHBondContact NE2-OE1 3.41Å; E186-D188 PolarHBondContact O-N 2.91Å; E186-H189 PolarHBondContact N-O 3.23Å; E186-H189 CarbonylContact O-C 3.57Å; E186-H189 VanDerWaalsContact O-C 3.23Å; E186-H189 PolarHBondContact O-N 2.98Å; E186-H189 VanDerWaalsContact O-O 3.08Å
187L93.4Very high94.1Very high46 Ų4652 Ų5224%0.24130%0.295CS..THydrogen-bonded Turntrans-55.5136.4172.5-67.2179.4000110.6T165 H189 Q236 R239 L241T165-L187 HydrophobicContact CG2-CD1 3.79Å; T165-L187 HydrophobicContact CG2-CG 4.3Å; T165-L187 PolarHBondContact O-N 3.03Å; L187-H189 PolarHBondContact O-N 3.27Å; L187-H189 VanDerWaalsContact O-N 3.1Å; L187-Q236 HydrophobicContact CD2-CG 4.38Å; L187-R239 WeakPolarHBondContact CD2-O 3Å; L187-L241 HydrophobicContact CD2-CD2 4.15Å; L187-L241 HydrophobicContact CD2-CG 4.02Å
188D92Very high94.5Very high125 Ų12553.3 Ų53.367%0.66831%0.305SS*.THydrogen-bonded Turntrans62.48.2-176.3-50.6-47.1000114.4E186 Q236E186-D188 PolarHBondContact O-N 2.91Å; D188-Q236 VanDerWaalsContact CA-OE1 3.31Å; D188-Q236 PolarHBondContact OD1-NE2 3.36Å
189H94.8Very high94.9Very high115 Ų11558.5 Ų58.553%0.53233%0.328SS..BIsolated β-bridgetrans-142.679.1179-167.574.1000111.7A185 E186 L187 P191A185-H189 WeakPolarHBondContact CA-O 3.36Å; E186-H189 PolarHBondContact N-O 3.23Å; E186-H189 CarbonylContact O-C 3.57Å; E186-H189 VanDerWaalsContact O-C 3.23Å; E186-H189 PolarHBondContact O-N 2.98Å; E186-H189 VanDerWaalsContact O-O 3.08Å; L187-H189 PolarHBondContact O-N 3.27Å; L187-H189 VanDerWaalsContact O-N 3.1Å; H189-P191 WeakPolarHBondContact O-CD 3.44Å
190V97.8Very high95.2Very high1 Ų157.1 Ų57.11%0.00631%0.314CS..BIsolated β-bridgetrans-101.292.9167.6-172.30000109.2Y183 A185 G218 A221 V234 Q236 L241Y183-V190 WeakPolarHBondContact OH-CG1 3.39Å; A185-V190 HydrophobicContact CB-CG1 4.37Å; A185-V190 HydrophobicContact CB-CG2 4.41Å; V190-G218 WeakPolarHBondContact CB-O 3.42Å; V190-G218 PolarHBondContact N-O 2.67Å; V190-G218 VanDerWaalsContact N-O 3.11Å; V190-G218 WeakPolarHBondContact O-CA 3.38Å; V190-G218 PolarHBondContact O-N 3.49Å; V190-A221 HydrophobicContact CG1-CB 3.85Å; V190-V234 HydrophobicContact CG1-CB 4.24Å; V190-V234 HydrophobicContact CG1-CG1 3.83Å; V190-Q236 HydrophobicContact CG2-CB 4.13Å; V190-L241 HydrophobicContact CG2-CD2 4Å
191P97.2Very high95.2Very high26 Ų2651.7 Ų51.717%0.16929%0.29CS..  trans-75.3151.2-173.729.9-35.3000112Y183 Q184 H189 A193 A221Y183-P191 HydrophobicContact CE2-CG 4.02Å; Y183-P191 VanDerWaalsContact CE2-O 3.24Å; Y183-P191 WeakPolarHBondContact CE2-O 3.31Å; Y183-P191 PolarHBondContact OH-O 3.33Å; Q184-P191 WeakPolarHBondContact O-CD 3.2Å; Q184-P191 VanDerWaalsContact O-CG 3.29Å; Q184-P191 WeakPolarHBondContact O-CG 3.42Å; H189-P191 WeakPolarHBondContact O-CD 3.44Å; P191-A193 PolarHBondContact O-N 3.38Å; P191-A221 WeakPolarHBondContact O-CB 3.46Å
192A96.3Very high94.8Very high29 Ų2951.5 Ų51.524%0.2429%0.294CS..SBendtrans-93.532.6169.500000111.9V212 T214A192-V212 WeakPolarHBondContact O-CG1 3.26Å; A192-T214 HydrophobicContact CB-CG2 3.45Å; A192-T214 VanDerWaalsContact CB-CG2 3.45Å
193A96.9Very high94.3Very high21 Ų2152.9 Ų52.917%0.17430%0.299CS..SBendtrans-149157.8-176.500000109.9Y183 P191 S198Y183-A193 WeakPolarHBondContact CD2-O 3.29Å; Y183-A193 WeakPolarHBondContact CE2-O 3.21Å; P191-A193 PolarHBondContact O-N 3.38Å; A193-S198 CarbonylContact C-O 3.59Å; A193-S198 VanDerWaalsContact CA-O 3.3Å; A193-S198 WeakPolarHBondContact CA-O 3.41Å
194F96.9Very high93.5Very high7 Ų756.9 Ų56.93%0.03131%0.314CS..  trans-72.8169.7166.2-61.9-69.4000110.4F171 Q181 L182 D196 G197 S198 L210 V212 I223F171-F194 HydrophobicContact CD2-CE1 4.1Å; F171-F194 AromaticContact CE2-CE1 3.86Å; F171-F194 HydrophobicContact CE2-CE1 3.86Å; Q181-F194 HydrophobicContact CB-CD1 4.22Å; Q181-F194 HydrophobicContact CB-CE1 4.46Å; L182-F194 WeakPolarHBondContact O-CB 3.21Å; F194-D196 WeakPolarHBondContact CB-OD1 3.31Å; F194-D196 PolarHBondContact O-N 3.36Å; F194-D196 VanDerWaalsContact O-N 3.15Å; F194-G197 WeakPolarHBondContact O-CA 3.45Å; F194-G197 PolarHBondContact O-N 2.84Å; F194-S198 VanDerWaalsContact CD2-O 3.28Å; F194-S198 WeakPolarHBondContact CD2-O 3.33Å; F194-S198 WeakPolarHBondContact CD2-OG 3.33Å; F194-S198 PolarHBondContact N-O 3.01Å; F194-L210 HydrophobicContact CE1-CD1 4.39Å; F194-L210 HydrophobicContact CE1-CD2 4.18Å; F194-L210 HydrophobicContact CE1-CG 4.24Å; F194-L210 HydrophobicContact CE2-CD2 4.5Å; F194-L210 HydrophobicContact CE2-CG 4.17Å; F194-L210 HydrophobicContact CZ-CD1 3.89Å; F194-L210 HydrophobicContact CZ-CD2 3.88Å; F194-L210 HydrophobicContact CZ-CG 3.53Å; F194-V212 HydrophobicContact CD2-CG1 4.16Å; F194-V212 HydrophobicContact CE2-CB 4.47Å; F194-V212 HydrophobicContact CE2-CG1 3.89Å; F194-V212 HydrophobicContact CZ-CB 4.28Å; F194-V212 HydrophobicContact CZ-CG1 4.16Å; F194-I223 HydrophobicContact CE1-CG2 4.18Å; F194-I223 HydrophobicContact CZ-CG2 4.18Å
195A93.3Very high92.5Very high71 Ų7161.2 Ų61.259%0.58733%0.327SS*.THydrogen-bonded Turntrans-61.6-22.6-178.300000113.4L182 G197L182-A195 HydrophobicContact CB-CB 4.08Å; L182-A195 HydrophobicContact CD2-CB 3.89Å; L182-A195 HydrophobicContact CG-CB 3.95Å; L182-A195 WeakPolarHBondContact O-CB 3.37Å; L182-A195 PolarHBondContact O-N 3.08Å; A195-G197 VanDerWaalsContact C-N 3.27Å
196D89.8Confident91.8Very high98 Ų9864.1 Ų64.152%0.52436%0.357SS..THydrogen-bonded Turntrans-831.2173.566.73.5000113.6Q181 F194 S198Q181-D196 PolarHBondContact NE2-OD2 3.21Å; Q181-D196 PolarHBondContact OE1-OD2 3.44Å; F194-D196 WeakPolarHBondContact CB-OD1 3.31Å; F194-D196 PolarHBondContact O-N 3.36Å; F194-D196 VanDerWaalsContact O-N 3.15Å; D196-S198 VanDerWaalsContact C-N 3.29Å; D196-S198 PolarHBondContact O-N 2.9Å; D196-S198 WeakPolarHBondContact OD1-CB 3.36Å; D196-S198 PolarHBondContact OD1-N 2.69Å; D196-S198 PolarHBondContact OD1-OG 2.92Å; D196-S198 PolarHBondContact OD2-OG 3.41Å
197G92.3Very high91.3Very high55 Ų5567.3 Ų67.357%0.56737%0.366SS*.SBendtrans83-3.4-177.700000114.5F194 A195F194-G197 WeakPolarHBondContact O-CA 3.45Å; F194-G197 PolarHBondContact O-N 2.84Å; A195-G197 VanDerWaalsContact C-N 3.27Å
198S91.6Very high91.2Very high31 Ų3171.6 Ų71.622%0.21738%0.378CS..  trans-74.6147.4178.272.20000111.6A193 F194 D196A193-S198 CarbonylContact C-O 3.59Å; A193-S198 VanDerWaalsContact CA-O 3.3Å; A193-S198 WeakPolarHBondContact CA-O 3.41Å; F194-S198 VanDerWaalsContact CD2-O 3.28Å; F194-S198 WeakPolarHBondContact CD2-O 3.33Å; F194-S198 WeakPolarHBondContact CD2-OG 3.33Å; F194-S198 PolarHBondContact N-O 3.01Å; D196-S198 VanDerWaalsContact C-N 3.29Å; D196-S198 PolarHBondContact O-N 2.9Å; D196-S198 WeakPolarHBondContact OD1-CB 3.36Å; D196-S198 PolarHBondContact OD1-N 2.69Å; D196-S198 PolarHBondContact OD1-OG 2.92Å; D196-S198 PolarHBondContact OD2-OG 3.41Å
199Q95.3Very high91.3Very high116 Ų11665.7 Ų65.754%0.54235%0.347SS..SBendtrans-96.9-5.3175-62.4-178.3-11.200112.5T211 V212Q199-T211 WeakPolarHBondContact O-CA 3.35Å; Q199-V212 HydrophobicContact CB-CG1 4.45Å; Q199-V212 WeakPolarHBondContact O-CG1 3.33Å; Q199-V212 PolarHBondContact O-N 3.12Å
200W94.9Very high91.4Very high96 Ų9660.2 Ų60.236%0.36432%0.322SS..EExtended strand (participates in β ladder)trans-159.6153.7-178.464.6-84.7000110.1E203 R208 L210 T211W200-E203 HydrophobicContact CZ3-CB 3.96Å; W200-R208 HydrophobicContact CB-CB 4.3Å; W200-R208 HydrophobicContact CB-CG 4.21Å; W200-R208 HydrophobicContact CD2-CG 3.96Å; W200-R208 HydrophobicContact CE3-CG 3.96Å; W200-R208 HydrophobicContact CG-CG 4.08Å; W200-L210 CarbonylContact C-O 3.6Å; W200-L210 WeakPolarHBondContact CA-O 3.45Å; W200-L210 WeakPolarHBondContact CB-O 3.46Å; W200-T211 HydrophobicContact CB-CG2 3.99Å
201S91.8Very high91.4Very high13 Ų1361.1 Ų61.19%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-139.6138.5173.2177.80000110.3T178 L210T178-S201 PolarHBondContact OG1-OG 2.86Å; S201-L210 PolarHBondContact N-O 3.41Å; S201-L210 WeakPolarHBondContact O-CB 3.35Å; S201-L210 PolarHBondContact O-N 2.88Å; S201-L210 VanDerWaalsContact O-N 3.14Å
202G87Confident91.4Very high18 Ų1860.2 Ų60.219%0.18632%0.321CS..EExtended strand (participates in β ladder)trans73.1134.7-177.600000113.8C177 R208 V209C177-G202 WeakPolarHBondContact O-CA 3.45Å; G202-R208 WeakPolarHBondContact O-CA 2.96Å; G202-V209 PolarHBondContact O-N 3.16Å
203E86.4Confident91.4Very high91 Ų9166.6 Ų66.643%0.42534%0.339SS..EExtended strand (participates in β ladder)trans-135.4135.6174.3-167.5-177.414500111W200 G206 R207W200-E203 HydrophobicContact CZ3-CB 3.96Å; E203-G206 VanDerWaalsContact OE1-CA 3.22Å; E203-G206 WeakPolarHBondContact OE1-CA 3.1Å; E203-R207 WeakPolarHBondContact CA-O 3.35Å
204R82.3Confident91.4Very high83 Ų8367.5 Ų67.531%0.31334%0.342SS..EExtended strand (participates in β ladder)trans-137.7118.8179.2-67-74.1169.9-119.124.2109.7C95 Q176 G206 R207 V209C95-R204 HydrophobicContact CB-CB 4.31Å; C95-R204 HydrophobicContact CB-CG 3.7Å; Q176-R204 PolarHBondContact O-NE 3.02Å; Q176-R204 PolarHBondContact O-NH2 3.44Å; R204-G206 VanDerWaalsContact C-N 3.31Å; R204-G206 PolarHBondContact O-N 3.48Å; R204-R207 PolarHBondContact N-O 2.82Å; R204-R207 WeakPolarHBondContact O-CB 2.97Å; R204-R207 PolarHBondContact O-N 3.46Å; R204-V209 HydrophobicContact CB-CG1 4.12Å; R204-V209 HydrophobicContact CG-CG1 4.07Å
205R78.1Confident91Very high161 Ų16173.4 Ų73.461%0.60837%0.374SS*.THydrogen-bonded Turntrans51.545.4-179.4-60.6179.1169.6173.5-3.6112.9D93 R207D93-R205 IonicContact OD1-NH1 3.36Å; D93-R205 PolarHBondContact OD1-NH1 3.46Å; D93-R205 IonicContact OD2-CZ 3.89Å; D93-R205 IonicContact OD2-NH1 3.73Å; D93-R205 PolarHBondContact OD2-NH1 3.18Å; R205-R207 VanDerWaalsContact C-N 3.27Å; R205-R207 PolarHBondContact O-N 2.64Å
206G82.5Confident90.9Very high61 Ų6172.4 Ų72.463%0.62936%0.363SS*.THydrogen-bonded Turntrans78.53.9-179.500000115E203 R204E203-G206 VanDerWaalsContact OE1-CA 3.22Å; E203-G206 WeakPolarHBondContact OE1-CA 3.1Å; R204-G206 VanDerWaalsContact C-N 3.31Å; R204-G206 PolarHBondContact O-N 3.48Å
207R86Confident90.9Very high150 Ų15073.1 Ų73.157%0.56637%0.373SS*.EExtended strand (participates in β ladder)trans-113.8125.8-178.9-62.7-174.7177.2-159.1-1.4110.9E203 R204 R205E203-R207 WeakPolarHBondContact CA-O 3.35Å; R204-R207 PolarHBondContact N-O 2.82Å; R204-R207 WeakPolarHBondContact O-CB 2.97Å; R204-R207 PolarHBondContact O-N 3.46Å; R205-R207 VanDerWaalsContact C-N 3.27Å; R205-R207 PolarHBondContact O-N 2.64Å
208R92.6Very high90.9Very high135 Ų13571.9 Ų71.951%0.50936%0.36SS..EExtended strand (participates in β ladder)trans-70128.3171.5-61.5171.1-178.4177.82.4109.1W200 G202 T211W200-R208 HydrophobicContact CB-CB 4.3Å; W200-R208 HydrophobicContact CB-CG 4.21Å; W200-R208 HydrophobicContact CD2-CG 3.96Å; W200-R208 HydrophobicContact CE3-CG 3.96Å; W200-R208 HydrophobicContact CG-CG 4.08Å; G202-R208 WeakPolarHBondContact O-CA 2.96Å; R208-T211 HydrophobicContact CB-CG2 3.42Å; R208-T211 VanDerWaalsContact CB-CG2 3.42Å; R208-T211 HydrophobicContact CG-CG2 4.37Å
209V93.5Very high91Very high1 Ų178.2 Ų78.21%0.00638%0.379CS..EExtended strand (participates in β ladder)trans-97.6-22.2-173.4-58.90000113.3C95 L96 C177 G202 R204 A225 A226 Y227C95-V209 HydrophobicContact CB-CG1 4.11Å; L96-V209 HydrophobicContact CD2-CG1 4.44Å; C177-V209 VanDerWaalsContact O-CG2 3.28Å; C177-V209 WeakPolarHBondContact O-CG2 3.45Å; G202-V209 PolarHBondContact O-N 3.16Å; R204-V209 HydrophobicContact CB-CG1 4.12Å; R204-V209 HydrophobicContact CG-CG1 4.07Å; V209-A225 CarbonylContact O-C 3.59Å; V209-A226 WeakPolarHBondContact O-CB 3.27Å; V209-A226 PolarHBondContact O-N 2.99Å; V209-Y227 HydrophobicContact CG2-CD1 4.45Å
210L96.6Very high91.1Very high0 Ų073 Ų730%036%0.355CS..EExtended strand (participates in β ladder)trans-130.1123.8169.6176.359.1000108.2F171 Q181 F194 W200 S201 I223 R224 A225 Y227F171-L210 HydrophobicContact CB-CD2 3.97Å; F171-L210 HydrophobicContact CD1-CD1 3.89Å; F171-L210 HydrophobicContact CD1-CD2 4.21Å; F171-L210 HydrophobicContact CD2-CD1 4.38Å; F171-L210 HydrophobicContact CD2-CD2 4.04Å; F171-L210 HydrophobicContact CE1-CD1 3.81Å; F171-L210 HydrophobicContact CE2-CD1 4.3Å; F171-L210 HydrophobicContact CG-CD1 4.19Å; F171-L210 HydrophobicContact CG-CD2 3.79Å; F171-L210 HydrophobicContact CZ-CD1 4.03Å; Q181-L210 HydrophobicContact CB-CD2 3.8Å; Q181-L210 HydrophobicContact CG-CD2 4Å; F194-L210 HydrophobicContact CE1-CD1 4.39Å; F194-L210 HydrophobicContact CE1-CD2 4.18Å; F194-L210 HydrophobicContact CE1-CG 4.24Å; F194-L210 HydrophobicContact CE2-CD2 4.5Å; F194-L210 HydrophobicContact CE2-CG 4.17Å; F194-L210 HydrophobicContact CZ-CD1 3.89Å; F194-L210 HydrophobicContact CZ-CD2 3.88Å; F194-L210 HydrophobicContact CZ-CG 3.53Å; W200-L210 CarbonylContact C-O 3.6Å; W200-L210 WeakPolarHBondContact CA-O 3.45Å; W200-L210 WeakPolarHBondContact CB-O 3.46Å; S201-L210 PolarHBondContact N-O 3.41Å; S201-L210 WeakPolarHBondContact O-CB 3.35Å; S201-L210 PolarHBondContact O-N 2.88Å; S201-L210 VanDerWaalsContact O-N 3.14Å; L210-I223 HydrophobicContact CD1-CG2 3.91Å; L210-R224 CarbonylContact C-O 3.58Å; L210-R224 VanDerWaalsContact CA-O 3.31Å; L210-R224 WeakPolarHBondContact CA-O 3.34Å; L210-A225 HydrophobicContact CD1-CB 3.85Å; L210-Y227 HydrophobicContact CB-CE1 4.2Å
211T97.5Very high91.2Very high21 Ų2168.5 Ų68.513%0.12934%0.338CS..EExtended strand (participates in β ladder)trans-140.6147.3-177.861.30000111.3Q199 W200 R208 I223 R224Q199-T211 WeakPolarHBondContact O-CA 3.35Å; W200-T211 HydrophobicContact CB-CG2 3.99Å; R208-T211 HydrophobicContact CB-CG2 3.42Å; R208-T211 VanDerWaalsContact CB-CG2 3.42Å; R208-T211 HydrophobicContact CG-CG2 4.37Å; T211-I223 CarbonylContact O-C 3.51Å; T211-I223 WeakPolarHBondContact O-CA 3.48Å; T211-R224 PolarHBondContact N-O 3.04Å; T211-R224 PolarHBondContact O-N 3.32Å
212V98Very high91.5Very high6 Ų669.5 Ų69.54%0.03634%0.341CS..EExtended strand (participates in β ladder)trans-118.9137.4168.754.30000109.9Y183 A192 F194 Q199 A221 E222 I223Y183-V212 HydrophobicContact CE2-CG2 4.15Å; A192-V212 WeakPolarHBondContact O-CG1 3.26Å; F194-V212 HydrophobicContact CD2-CG1 4.16Å; F194-V212 HydrophobicContact CE2-CB 4.47Å; F194-V212 HydrophobicContact CE2-CG1 3.89Å; F194-V212 HydrophobicContact CZ-CB 4.28Å; F194-V212 HydrophobicContact CZ-CG1 4.16Å; Q199-V212 HydrophobicContact CB-CG1 4.45Å; Q199-V212 WeakPolarHBondContact O-CG1 3.33Å; Q199-V212 PolarHBondContact O-N 3.12Å; V212-A221 HydrophobicContact CG2-CB 4.19Å; V212-E222 CarbonylContact C-O 3.55Å; V212-E222 WeakPolarHBondContact CA-O 3.15Å; V212-I223 HydrophobicContact CB-CG1 4.24Å; V212-I223 HydrophobicContact CG2-CG1 4Å
213R96.7Very high92.1Very high164 Ų16468.7 Ų68.762%0.61933%0.332SS*.EExtended strand (participates in β ladder)trans-138.4163.3-179.6-55.7-177105.5147.51.7109.4A221 E222R213-A221 CarbonylContact O-C 3.55Å; R213-A221 WeakPolarHBondContact O-CA 3.36Å; R213-E222 PolarHBondContact N-O 2.91Å; R213-E222 PolarHBondContact O-N 3.09Å
214T95.6Very high92.6Very high39 Ų3970.5 Ų70.524%0.23934%0.335CS..  trans-141.8144.1174.7-174.10000110.6A192 S216 P217 H220A192-T214 HydrophobicContact CB-CG2 3.45Å; A192-T214 VanDerWaalsContact CB-CG2 3.45Å; T214-S216 PolarHBondContact OG1-N 3.03Å; T214-S216 VanDerWaalsContact OG1-N 3.14Å; T214-S216 PolarHBondContact OG1-O 3.47Å; T214-S216 VanDerWaalsContact OG1-O 3.1Å; T214-P217 HydrophobicContact CG2-CG 4.16Å; T214-H220 WeakPolarHBondContact CB-O 3.41Å; T214-H220 PolarHBondContact OG1-O 2.84Å
215D89.7Confident93.3Very high132 Ų13266.5 Ų66.571%0.70632%0.32SS*.SBendtrans-100.8-17.2168.4-57.9-38.5000111.4H220D215-H220 IonicContact OD2-CE1 3.74Å
216S91.6Very high94.1Very high50 Ų5060.6 Ų60.635%0.3531%0.306SS..SBendtrans-140.997.2175.4480000110.4T214 G218 R219 H220T214-S216 PolarHBondContact OG1-N 3.03Å; T214-S216 VanDerWaalsContact OG1-N 3.14Å; T214-S216 PolarHBondContact OG1-O 3.47Å; T214-S216 VanDerWaalsContact OG1-O 3.1Å; S216-G218 PolarHBondContact O-N 3.29Å; S216-R219 PolarHBondContact O-N 3.03Å; S216-R219 VanDerWaalsContact O-N 3.09Å; S216-H220 PolarHBondContact O-N 3.02Å; S216-H220 WeakPolarHBondContact OG-CB 3.41Å
217P90.1Very high94.6Very high112 Ų11257.9 Ų57.973%0.72728%0.277SS*.THydrogen-bonded Turntrans-52.7133.8-177.4-27.634.8000112.5T214 R219T214-P217 HydrophobicContact CG2-CG 4.16Å; P217-R219 PolarHBondContact O-N 2.73Å
218G90.3Very high95.1Very high29 Ų2950.8 Ų50.830%0.29925%0.25SS..BIsolated β-bridgetrans80.1-12.3179.100000115.1V190 S216V190-G218 WeakPolarHBondContact CB-O 3.42Å; V190-G218 PolarHBondContact N-O 2.67Å; V190-G218 VanDerWaalsContact N-O 3.11Å; V190-G218 WeakPolarHBondContact O-CA 3.38Å; V190-G218 PolarHBondContact O-N 3.49Å; S216-G218 PolarHBondContact O-N 3.29Å
219R94.8Very high95.2Very high164 Ų16445 Ų4562%0.61923%0.232SC*.THydrogen-bonded Turntrans-123.3-14.9179.8-66.1-172.2177-179.5-0.7114.7S216 P217 R235 Q236S216-R219 PolarHBondContact O-N 3.03Å; S216-R219 VanDerWaalsContact O-N 3.09Å; P217-R219 PolarHBondContact O-N 2.73Å; R219-R235 CarbonylContact O-C 3.23Å; R219-R235 WeakPolarHBondContact O-CA 3.32Å; R219-Q236 PolarHBondContact O-N 3.01Å
220H96.9Very high95.4Very high8 Ų845.1 Ų45.14%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-140.5142.4-175.7-176.5-88.5000111.6T214 D215 S216 V234 R235T214-H220 WeakPolarHBondContact CB-O 3.41Å; T214-H220 PolarHBondContact OG1-O 2.84Å; D215-H220 IonicContact OD2-CE1 3.74Å; S216-H220 PolarHBondContact O-N 3.02Å; S216-H220 WeakPolarHBondContact OG-CB 3.41Å; H220-V234 CarbonylContact C-O 3.59Å; H220-V234 WeakPolarHBondContact CA-O 3.41Å; H220-R235 PolarHBondContact CD2-NE 1.99Å; H220-R235 PolarHBondContact NE2-NE 2.97Å; H220-R235 PolarHBondContact NE2-NH2 3.36Å
221A98Very high95.5Very high0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-143.7134.4163.400000110.5Y183 V190 P191 V212 R213 V233 V234Y183-A221 HydrophobicContact CE2-CB 4.18Å; Y183-A221 WeakPolarHBondContact OH-CB 3.34Å; V190-A221 HydrophobicContact CG1-CB 3.85Å; P191-A221 WeakPolarHBondContact O-CB 3.46Å; V212-A221 HydrophobicContact CG2-CB 4.19Å; R213-A221 CarbonylContact O-C 3.55Å; R213-A221 WeakPolarHBondContact O-CA 3.36Å; A221-V233 CarbonylContact O-C 3.55Å; A221-V233 WeakPolarHBondContact O-CA 3.1Å; A221-V234 HydrophobicContact CB-CB 4.49Å; A221-V234 PolarHBondContact N-O 3.34Å; A221-V234 PolarHBondContact O-N 2.03Å
222E98.2Very high95.5Very high35 Ų3545.6 Ų45.616%0.16424%0.235CC..EExtended strand (participates in β ladder)trans-109.5119.5170.3-173.4-178.1109.200108.7V212 R213 R224 L231 L232 V233V212-E222 CarbonylContact C-O 3.55Å; V212-E222 WeakPolarHBondContact CA-O 3.15Å; R213-E222 PolarHBondContact N-O 2.91Å; R213-E222 PolarHBondContact O-N 3.09Å; E222-R224 IonicContact OE1-CZ 3.93Å; E222-R224 IonicContact OE1-NE 3.71Å; E222-R224 PolarHBondContact OE1-NE 3.02Å; E222-R224 IonicContact OE1-NH2 3.15Å; E222-R224 PolarHBondContact OE1-NH2 2.79Å; E222-L231 HydrophobicContact CG-CD1 3.47Å; E222-L231 VanDerWaalsContact CG-CD1 3.47Å; E222-L232 CarbonylContact C-O 3.51Å; E222-L232 WeakPolarHBondContact CA-O 3.31Å; E222-V233 HydrophobicContact CG-CG2 4.17Å
223I98.5Very high95.5Very high0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-113.2117.3-179.2-45.7170.4000108.8I169 F171 Y183 F194 L210 T211 V212 L232I169-I223 HydrophobicContact CD1-CD1 3.93Å; F171-I223 HydrophobicContact CE1-CG2 4.3Å; F171-I223 HydrophobicContact CE2-CG2 3.93Å; F171-I223 HydrophobicContact CZ-CB 4.33Å; F171-I223 HydrophobicContact CZ-CD1 4.46Å; F171-I223 HydrophobicContact CZ-CG2 3.46Å; F171-I223 VanDerWaalsContact CZ-CG2 3.46Å; Y183-I223 HydrophobicContact CD1-CD1 3.63Å; Y183-I223 HydrophobicContact CD2-CD1 3.63Å; Y183-I223 HydrophobicContact CD2-CG1 4.46Å; Y183-I223 HydrophobicContact CE1-CD1 3.96Å; Y183-I223 HydrophobicContact CE2-CD1 3.96Å; Y183-I223 HydrophobicContact CG-CD1 3.45Å; Y183-I223 VanDerWaalsContact CG-CD1 3.45Å; F194-I223 HydrophobicContact CE1-CG2 4.18Å; F194-I223 HydrophobicContact CZ-CG2 4.18Å; L210-I223 HydrophobicContact CD1-CG2 3.91Å; T211-I223 CarbonylContact O-C 3.51Å; T211-I223 WeakPolarHBondContact O-CA 3.48Å; V212-I223 HydrophobicContact CB-CG1 4.24Å; V212-I223 HydrophobicContact CG2-CG1 4Å; I223-L232 HydrophobicContact CB-CB 4.33Å; I223-L232 PolarHBondContact N-O 2.9Å; I223-L232 PolarHBondContact O-N 3.11Å
224R97.8Very high95.6Very high129 Ų12937.7 Ų37.749%0.48720%0.204SC..EExtended strand (participates in β ladder)trans-105.8114.2177.1-69.3-177.8-172-160.82.7110.1L210 T211 E222 L231L210-R224 CarbonylContact C-O 3.58Å; L210-R224 VanDerWaalsContact CA-O 3.31Å; L210-R224 WeakPolarHBondContact CA-O 3.34Å; T211-R224 PolarHBondContact N-O 3.04Å; T211-R224 PolarHBondContact O-N 3.32Å; E222-R224 IonicContact OE1-CZ 3.93Å; E222-R224 IonicContact OE1-NE 3.71Å; E222-R224 PolarHBondContact OE1-NE 3.02Å; E222-R224 IonicContact OE1-NH2 3.15Å; E222-R224 PolarHBondContact OE1-NH2 2.79Å; R224-L231 HydrophobicContact CG-CD1 3.74Å
225A97Very high95.7Very high0 Ų038.5 Ų38.50%020%0.203CC..EExtended strand (participates in β ladder)trans-103.677.4172.400000109.7F171 V209 L210 Y227 I228 G229 T230F171-A225 HydrophobicContact CD1-CB 4.13Å; F171-A225 HydrophobicContact CE1-CB 3.83Å; V209-A225 CarbonylContact O-C 3.59Å; L210-A225 HydrophobicContact CD1-CB 3.85Å; A225-Y227 HydrophobicContact CB-CD1 4.25Å; A225-Y227 HydrophobicContact CB-CE1 3.75Å; A225-Y227 PolarHBondContact O-N 2.93Å; A225-I228 HydrophobicContact CB-CD1 3.95Å; A225-I228 HydrophobicContact CB-CG1 3.64Å; A225-I228 CarbonylContact O-C 3.53Å; A225-I228 WeakPolarHBondContact O-CG1 3.39Å; A225-I228 PolarHBondContact O-N 2.8Å; A225-I228 VanDerWaalsContact O-N 3.13Å; A225-G229 PolarHBondContact O-N 2.93Å; A225-T230 PolarHBondContact N-O 2.76Å; A225-T230 PolarHBondContact O-N 2.82Å
226A94.9Very high96Very high37 Ų3733.2 Ų33.231%0.30617%0.174SC..G310 helixtrans-60.5-27.6-175.500000113.4L96 Y97 V209 I228 G229L96-A226 HydrophobicContact CD2-CB 4.32Å; Y97-A226 WeakPolarHBondContact CB-O 3.42Å; Y97-A226 PolarHBondContact N-O 3.18Å; V209-A226 WeakPolarHBondContact O-CB 3.27Å; V209-A226 PolarHBondContact O-N 2.99Å; A226-I228 PolarHBondContact O-N 2.83Å; A226-G229 PolarHBondContact O-N 2.86Å
227Y92.9Very high96.1Very high4 Ų431.9 Ų31.92%0.01617%0.165CC..G310 helixtrans-68.5-19.5178.371.7-82.5000114.3C95 W174 C177 T178 V209 L210 A225C95-Y227 WeakPolarHBondContact O-CA 3.38Å; C95-Y227 WeakPolarHBondContact O-CB 3.38Å; W174-Y227 HydrophobicContact CB-CD2 3.83Å; W174-Y227 HydrophobicContact CB-CE2 3.65Å; W174-Y227 AromaticContact CD1-CD2 3.73Å; W174-Y227 AromaticContact CG-CD2 3.97Å; W174-Y227 HydrophobicContact CG-CD2 3.97Å; W174-Y227 HydrophobicContact CG-CE2 4.16Å; C177-Y227 HydrophobicContact CB-CG 4.43Å; T178-Y227 HydrophobicContact CG2-CD1 4Å; T178-Y227 HydrophobicContact CG2-CD2 4.31Å; T178-Y227 HydrophobicContact CG2-CE1 3.61Å; T178-Y227 HydrophobicContact CG2-CE2 3.95Å; T178-Y227 HydrophobicContact CG2-CG 4.35Å; V209-Y227 HydrophobicContact CG2-CD1 4.45Å; L210-Y227 HydrophobicContact CB-CE1 4.2Å; A225-Y227 HydrophobicContact CB-CD1 4.25Å; A225-Y227 HydrophobicContact CB-CE1 3.75Å; A225-Y227 PolarHBondContact O-N 2.93Å
228I95Very high96Very high1 Ų128.2 Ų28.21%0.00515%0.147CC..G310 helixtrans-123.313.9173.452.9167.3000111.8Y145 A225 A226 T230 P248 V251Y145-I228 HydrophobicContact CD1-CG2 3.34Å; Y145-I228 HydrophobicContact CE1-CG2 3.92Å; Y145-I228 HydrophobicContact CG-CG2 3.82Å; A225-I228 HydrophobicContact CB-CD1 3.95Å; A225-I228 HydrophobicContact CB-CG1 3.64Å; A225-I228 CarbonylContact O-C 3.53Å; A225-I228 WeakPolarHBondContact O-CG1 3.39Å; A225-I228 PolarHBondContact O-N 2.8Å; A225-I228 VanDerWaalsContact O-N 3.13Å; A226-I228 PolarHBondContact O-N 2.83Å; I228-T230 PolarHBondContact O-N 3.14Å; I228-T230 VanDerWaalsContact O-N 3.08Å; I228-T230 PolarHBondContact O-OG1 2.89Å; I228-P248 WeakPolarHBondContact O-CD 3.34Å; I228-P248 WeakPolarHBondContact O-CG 3.42Å; I228-V251 HydrophobicContact CB-CG1 4.33Å; I228-V251 HydrophobicContact CB-CG2 4.19Å
229G95.4Very high96Very high12 Ų1235.9 Ų35.912%0.12417%0.167CC..THydrogen-bonded Turntrans56.327.5-179.900000113.6Y97 Y111 A225 A226 P248Y97-G229 VanDerWaalsContact CB-N 3.26Å; Y111-G229 VanDerWaalsContact CE1-O 3.28Å; Y111-G229 WeakPolarHBondContact CE1-O 3.31Å; A225-G229 PolarHBondContact O-N 2.93Å; A226-G229 PolarHBondContact O-N 2.86Å; G229-P248 WeakPolarHBondContact O-CD 3.32Å
230T97.6Very high95.9Very high5 Ų528.4 Ų28.43%0.03114%0.14CC..EExtended strand (participates in β ladder)trans-106.2136.8-172.2-60.30000111A225 I228 L232 V245 R246 S247A225-T230 PolarHBondContact N-O 2.76Å; A225-T230 PolarHBondContact O-N 2.82Å; I228-T230 PolarHBondContact O-N 3.14Å; I228-T230 VanDerWaalsContact O-N 3.08Å; I228-T230 PolarHBondContact O-OG1 2.89Å; T230-L232 HydrophobicContact CG2-CD1 3.69Å; T230-L232 HydrophobicContact CG2-CG 4.23Å; T230-V245 HydrophobicContact CG2-CG1 4.07Å; T230-R246 CarbonylContact C-O 3.56Å; T230-R246 WeakPolarHBondContact CA-O 3.45Å; T230-S247 PolarHBondContact OG1-OG 3.34Å
231L98Very high96Very high31 Ų3128.1 Ų28.116%0.16214%0.139CC..EExtended strand (participates in β ladder)trans-117.4129.1173.8171.767.7000108.5E222 R224 V245 R246 M331E222-L231 HydrophobicContact CG-CD1 3.47Å; E222-L231 VanDerWaalsContact CG-CD1 3.47Å; R224-L231 HydrophobicContact CG-CD1 3.74Å; L231-V245 CarbonylContact O-C 3.55Å; L231-V245 WeakPolarHBondContact O-CA 3.27Å; L231-R246 HydrophobicContact CB-CB 4.34Å; L231-R246 PolarHBondContact N-O 3.08Å; L231-R246 PolarHBondContact O-N 2.9Å; L231-M331 HydrophobicContact CD2-CE 4.14Å; L231-M331 HydrophobicContact CD2-CG 4.47Å; L231-M331 HydrophobicContact CG-CE 4.21Å
232L98.5Very high95.9Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-122.1136.7174.3-57.696.9000109.4L146 V148 I169 F171 E222 I223 T230 L243 S244 V245L146-L232 HydrophobicContact CD2-CD2 3.92Å; V148-L232 HydrophobicContact CG2-CD2 4.29Å; I169-L232 HydrophobicContact CD1-CD2 3.94Å; I169-L232 HydrophobicContact CG1-CD2 4.48Å; I169-L232 HydrophobicContact CG2-CD2 4.22Å; F171-L232 HydrophobicContact CE1-CD1 3.89Å; F171-L232 HydrophobicContact CZ-CD1 3.92Å; E222-L232 CarbonylContact C-O 3.51Å; E222-L232 WeakPolarHBondContact CA-O 3.31Å; I223-L232 HydrophobicContact CB-CB 4.33Å; I223-L232 PolarHBondContact N-O 2.9Å; I223-L232 PolarHBondContact O-N 3.11Å; T230-L232 HydrophobicContact CG2-CD1 3.69Å; T230-L232 HydrophobicContact CG2-CG 4.23Å; L232-L243 HydrophobicContact CB-CD1 4.31Å; L232-L243 HydrophobicContact CD2-CD1 4.4Å; L232-S244 CarbonylContact C-O 3.59Å; L232-S244 WeakPolarHBondContact CA-O 3.48Å; L232-V245 HydrophobicContact CD2-CG1 4.43Å; L232-V245 HydrophobicContact CD2-CG2 3.9Å; L232-V245 HydrophobicContact CG-CG1 4.33Å; L232-V245 HydrophobicContact CG-CG2 4.25Å
233V98.4Very high96Very high3 Ų327.1 Ų27.12%0.01814%0.138CC..EExtended strand (participates in β ladder)trans-124.6118.2175.8174.90000108.1A221 E222 R235 L243 S244 M331A221-V233 CarbonylContact O-C 3.55Å; A221-V233 WeakPolarHBondContact O-CA 3.1Å; E222-V233 HydrophobicContact CG-CG2 4.17Å; V233-R235 HydrophobicContact CG1-CG 3.99Å; V233-L243 CarbonylContact O-C 3.44Å; V233-L243 WeakPolarHBondContact O-CA 3.28Å; V233-S244 PolarHBondContact N-O 3.43Å; V233-S244 PolarHBondContact O-N 3.24Å; V233-M331 HydrophobicContact CB-CE 3.83Å; V233-M331 HydrophobicContact CG2-CE 3.4Å
234V98.4Very high95.9Very high0 Ų027.2 Ų27.20%014%0.139CC..EExtended strand (participates in β ladder)trans-104.2129.3174.8178.40000108.2I167 I169 Y183 A185 V190 H220 A221 G242 L243I167-V234 HydrophobicContact CD1-CG1 3.74Å; I167-V234 HydrophobicContact CD1-CG2 4.43Å; I167-V234 HydrophobicContact CG2-CG2 4.37Å; I169-V234 HydrophobicContact CD1-CG2 4.15Å; Y183-V234 HydrophobicContact CE1-CB 4.45Å; Y183-V234 HydrophobicContact CE1-CG2 3.93Å; A185-V234 HydrophobicContact CB-CG1 3.83Å; V190-V234 HydrophobicContact CG1-CB 4.24Å; V190-V234 HydrophobicContact CG1-CG1 3.83Å; H220-V234 CarbonylContact C-O 3.59Å; H220-V234 WeakPolarHBondContact CA-O 3.41Å; A221-V234 HydrophobicContact CB-CB 4.49Å; A221-V234 PolarHBondContact N-O 3.34Å; A221-V234 PolarHBondContact O-N 2.03Å; V234-G242 WeakPolarHBondContact CA-O 3.41Å; V234-L243 HydrophobicContact CG2-CD1 3.51Å
235R97Very high96Very high56 Ų5621.1 Ų21.121%0.21112%0.116CC..EExtended strand (participates in β ladder)trans-135.3143.9178.4-73.1-177.1-178.8148.19.2111.4R219 H220 V233 L241 G242 A323 D327R219-R235 CarbonylContact O-C 3.23Å; R219-R235 WeakPolarHBondContact O-CA 3.32Å; H220-R235 PolarHBondContact CD2-NE 1.99Å; H220-R235 PolarHBondContact NE2-NE 2.97Å; H220-R235 PolarHBondContact NE2-NH2 3.36Å; V233-R235 HydrophobicContact CG1-CG 3.99Å; R235-L241 CarbonylContact O-C 3.58Å; R235-L241 WeakPolarHBondContact O-CA 3.43Å; R235-G242 PolarHBondContact N-O 2.84Å; R235-G242 PolarHBondContact O-N 2.9Å; R235-A323 PolarHBondContact NH1-O 2.98Å; R235-D327 IonicContact CZ-OD1 2.95Å; R235-D327 IonicContact CZ-OD2 3.75Å; R235-D327 IonicContact NE-OD1 3.93Å; R235-D327 IonicContact NH1-OD1 2.62Å; R235-D327 PolarHBondContact NH1-OD1 3.2Å; R235-D327 IonicContact NH1-OD2 3.26Å; R235-D327 PolarHBondContact NH1-OD2 2.85Å; R235-D327 IonicContact NH2-OD1 2.92Å; R235-D327 PolarHBondContact NH2-OD1 3.12Å
236Q95.8Very high96Very high22 Ų2224.6 Ų24.610%0.10313%0.129CC..EExtended strand (participates in β ladder)trans-97.7128.7162.9-175.2175.8-29.100109.6L187 D188 V190 R219 G238 S240 L241L187-Q236 HydrophobicContact CD2-CG 4.38Å; D188-Q236 VanDerWaalsContact CA-OE1 3.31Å; D188-Q236 PolarHBondContact OD1-NE2 3.36Å; V190-Q236 HydrophobicContact CG2-CB 4.13Å; R219-Q236 PolarHBondContact O-N 3.01Å; Q236-G238 PolarHBondContact NE2-O 2.78Å; Q236-S240 WeakPolarHBondContact CA-O 3.46Å; Q236-L241 HydrophobicContact CB-CD2 3.83Å; Q236-L241 HydrophobicContact CG-CD2 4.14Å
237S93.8Very high96Very high22 Ų2222.9 Ų22.915%0.15412%0.115CC..EExtended strand (participates in β ladder)trans-126.8111.6173.9-65.60000108.9R239 S240S237-R239 PolarHBondContact O-N 2.8Å; S237-S240 PolarHBondContact N-O 2.8Å; S237-S240 PolarHBondContact O-N 3.41Å; S237-S240 VanDerWaalsContact O-N 3.12Å
238G89.3Confident96.2Very high35 Ų3522.7 Ų22.736%0.36111%0.114SC..THydrogen-bonded Turntrans57.6-120.8-170.200000111Q236Q236-G238 PolarHBondContact NE2-O 2.78Å
239R89.7Confident96Very high189 Ų18928 Ų2871%0.71313%0.134SC*.THydrogen-bonded Turntrans-104.121.8179.7-58.2-163.368.6145.44.3114L187 S237L187-R239 WeakPolarHBondContact CD2-O 3Å; S237-R239 PolarHBondContact O-N 2.8Å
240S93.8Very high95.8Very high7 Ų729.6 Ų29.65%0.04915%0.15CC..EExtended strand (participates in β ladder)trans-127.5147.3174.4-168.90000111G118 V164 Q236 S237G118-S240 PolarHBondContact O-OG 2.74Å; V164-S240 PolarHBondContact N-OG 2.93Å; Q236-S240 WeakPolarHBondContact CA-O 3.46Å; S237-S240 PolarHBondContact N-O 2.8Å; S237-S240 PolarHBondContact O-N 3.41Å; S237-S240 VanDerWaalsContact O-N 3.12Å
241L97.2Very high95.6Very high2 Ų229.4 Ų29.41%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-86.2157.3163.1-58.6179.9000110.2V164 T165 I167 A185 L187 V190 R235 Q236V164-L241 HydrophobicContact CB-CB 4.38Å; V164-L241 HydrophobicContact CG1-CB 4.12Å; V164-L241 WeakPolarHBondContact O-CB 3.41Å; V164-L241 PolarHBondContact O-N 3.41Å; T165-L241 WeakPolarHBondContact O-CD1 3.26Å; I167-L241 HydrophobicContact CD1-CB 3.66Å; I167-L241 HydrophobicContact CD1-CD1 4.1Å; I167-L241 HydrophobicContact CD1-CG 4.49Å; I167-L241 HydrophobicContact CG1-CB 4.25Å; I167-L241 HydrophobicContact CG1-CD1 4.1Å; A185-L241 HydrophobicContact CB-CD1 4.45Å; L187-L241 HydrophobicContact CD2-CD2 4.15Å; L187-L241 HydrophobicContact CD2-CG 4.02Å; V190-L241 HydrophobicContact CG2-CD2 4Å; R235-L241 CarbonylContact O-C 3.58Å; R235-L241 WeakPolarHBondContact O-CA 3.43Å; Q236-L241 HydrophobicContact CB-CD2 3.83Å; Q236-L241 HydrophobicContact CG-CD2 4.14Å
242G97.5Very high95.3Very high13 Ų1328.5 Ų28.513%0.13414%0.144CC..EExtended strand (participates in β ladder)trans-138.2150.7169.700000110V116 V234 R235V116-G242 CarbonylContact O-C 3.59Å; V116-G242 WeakPolarHBondContact O-CA 3.49Å; V234-G242 WeakPolarHBondContact CA-O 3.41Å; R235-G242 PolarHBondContact N-O 2.84Å; R235-G242 PolarHBondContact O-N 2.9Å
243L98.5Very high94.8Very high1 Ų133.5 Ų33.51%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-130.3129.6175.8179.875.3000109.7S115 V116 L140 V148 I167 I169 L232 V233 V234 V245S115-L243 CarbonylContact C-O 3.59Å; S115-L243 WeakPolarHBondContact CA-O 3Å; V116-L243 HydrophobicContact CG1-CB 3.98Å; V116-L243 PolarHBondContact N-O 3.33Å; V116-L243 PolarHBondContact O-N 3Å; L140-L243 HydrophobicContact CD1-CD2 3.63Å; V148-L243 HydrophobicContact CG1-CD2 3.39Å; I167-L243 HydrophobicContact CD1-CB 4.05Å; I167-L243 HydrophobicContact CG2-CD1 4.46Å; I169-L243 HydrophobicContact CD1-CD1 4.09Å; L232-L243 HydrophobicContact CB-CD1 4.31Å; L232-L243 HydrophobicContact CD2-CD1 4.4Å; V233-L243 CarbonylContact O-C 3.44Å; V233-L243 WeakPolarHBondContact O-CA 3.28Å; V234-L243 HydrophobicContact CG2-CD1 3.51Å; L243-V245 HydrophobicContact CD1-CG2 4.43Å; L243-V245 HydrophobicContact CD2-CG2 3.77Å; L243-V245 HydrophobicContact CG-CG2 3.88Å
244S98.3Very high94.4Very high3 Ų334.3 Ų34.32%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-116.4130.4171.6-67.90000109.4L232 V233 D327L232-S244 CarbonylContact C-O 3.59Å; L232-S244 WeakPolarHBondContact CA-O 3.48Å; V233-S244 PolarHBondContact N-O 3.43Å; V233-S244 PolarHBondContact O-N 3.24Å; S244-D327 VanDerWaalsContact CB-OD2 3.31Å; S244-D327 WeakPolarHBondContact CB-OD2 3.27Å; S244-D327 WeakPolarHBondContact OG-CB 3.14Å; S244-D327 VanDerWaalsContact OG-CG 3.3Å; S244-D327 PolarHBondContact OG-OD2 2.87Å
245V98.2Very high93.7Very high1 Ų137 Ų371%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-124.8131.4-178.2-175.40000109.7H113 C114 F125 I141 T230 L231 L232 L243H113-V245 CarbonylContact C-O 3.6Å; H113-V245 VanDerWaalsContact CA-O 3.24Å; H113-V245 WeakPolarHBondContact CA-O 3.46Å; H113-V245 PolarHBondContact ND1-O 3.26Å; C114-V245 PolarHBondContact N-O 3.15Å; C114-V245 PolarHBondContact O-N 3.44Å; F125-V245 HydrophobicContact CE1-CG1 4.45Å; F125-V245 HydrophobicContact CZ-CG1 4.26Å; I141-V245 HydrophobicContact CD1-CB 4.32Å; I141-V245 HydrophobicContact CD1-CG1 3.88Å; I141-V245 HydrophobicContact CD1-CG2 4.1Å; T230-V245 HydrophobicContact CG2-CG1 4.07Å; L231-V245 CarbonylContact O-C 3.55Å; L231-V245 WeakPolarHBondContact O-CA 3.27Å; L232-V245 HydrophobicContact CD2-CG1 4.43Å; L232-V245 HydrophobicContact CD2-CG2 3.9Å; L232-V245 HydrophobicContact CG-CG1 4.33Å; L232-V245 HydrophobicContact CG-CG2 4.25Å; L243-V245 HydrophobicContact CD1-CG2 4.43Å; L243-V245 HydrophobicContact CD2-CG2 3.77Å; L243-V245 HydrophobicContact CG-CG2 3.88Å
246R97.3Very high92.7Very high72 Ų7236 Ų3627%0.27218%0.184SC..EExtended strand (participates in β ladder)trans-120.4123.4167.3178.3-172.8171.4-160.2-8.1108.9Y111 R112 T230 L231 M331Y111-R246 HydrophobicContact CD1-CG 3.84Å; Y111-R246 HydrophobicContact CG-CG 4.28Å; R112-R246 WeakPolarHBondContact O-CA 3.34Å; T230-R246 CarbonylContact C-O 3.56Å; T230-R246 WeakPolarHBondContact CA-O 3.45Å; L231-R246 HydrophobicContact CB-CB 4.34Å; L231-R246 PolarHBondContact N-O 3.08Å; L231-R246 PolarHBondContact O-N 2.9Å; R246-M331 HydrophobicContact CB-CB 3.97Å; R246-M331 HydrophobicContact CB-CG 3.88Å; R246-M331 HydrophobicContact CB-SD 3.72Å; R246-M331 VanDerWaalsContact CD-O 3.27Å; R246-M331 WeakPolarHBondContact CD-O 3.2Å; R246-M331 HydrophobicContact CG-CB 4.33Å; R246-M331 PolarHBondContact NE-O 2.88Å
247S96.6Very high91.4Very high2 Ų239.1 Ų39.11%0.01421%0.206CC..EExtended strand (participates in β ladder)trans-147149.4-175.9-167.10000110.7R112 T230R112-S247 PolarHBondContact N-O 2.96Å; R112-S247 PolarHBondContact O-N 3Å; R112-S247 VanDerWaalsContact O-N 3.08Å; T230-S247 PolarHBondContact OG1-OG 3.34Å
248P95.7Very high90.5Very high0 Ų042.9 Ų42.90%022%0.224CC..EExtended strand (participates in β ladder)trans-71.3144.9177.729.7-35.7000110.9Y97 P109 E110 Y111 I228 G229 G250 V251 L252Y97-P248 HydrophobicContact CD1-CB 4.4Å; Y97-P248 HydrophobicContact CD1-CG 3.94Å; Y97-P248 HydrophobicContact CE1-CB 3.5Å; Y97-P248 HydrophobicContact CE1-CG 3.37Å; Y97-P248 HydrophobicContact CE2-CG 4.1Å; Y97-P248 VanDerWaalsContact CZ-CG 3.45Å; P109-P248 HydrophobicContact CB-CB 4.13Å; E110-P248 WeakPolarHBondContact O-CA 3.19Å; Y111-P248 HydrophobicContact CD1-CB 4.39Å; Y111-P248 HydrophobicContact CE1-CB 4.17Å; Y111-P248 HydrophobicContact CE1-CG 4.43Å; I228-P248 WeakPolarHBondContact O-CD 3.34Å; I228-P248 WeakPolarHBondContact O-CG 3.42Å; G229-P248 WeakPolarHBondContact O-CD 3.32Å; P248-G250 VanDerWaalsContact C-N 3.27Å; P248-G250 PolarHBondContact O-N 2.99Å; P248-G250 VanDerWaalsContact O-N 3.14Å; P248-V251 HydrophobicContact CG-CB 3.97Å; P248-V251 HydrophobicContact CG-CG2 3.67Å; P248-V251 PolarHBondContact O-N 3.08Å; P248-L252 PolarHBondContact O-N 3.33Å
249R91.9Very high89.7Confident113 Ų11343.5 Ų43.543%0.42622%0.218SC..Hα-helixtrans-50-43.9-176.7-175.8179170.2156.79.3113.6E110 V251 L252 E253E110-R249 PolarHBondContact O-N 3.09Å; R249-V251 VanDerWaalsContact C-N 3.26Å; R249-V251 PolarHBondContact O-N 3.4Å; R249-L252 PolarHBondContact O-N 3.24Å; R249-L252 VanDerWaalsContact O-N 3.11Å; R249-E253 HydrophobicContact CG-CG 4.24Å; R249-E253 IonicContact CZ-OE1 2.86Å; R249-E253 VanDerWaalsContact CZ-OE1 3.22Å; R249-E253 VanDerWaalsContact NE-CD 3.35Å; R249-E253 IonicContact NE-OE1 3.87Å; R249-E253 PolarHBondContact NE-OE1 2.73Å; R249-E253 IonicContact NE-OE2 3.93Å; R249-E253 PolarHBondContact NE-OE2 3.19Å; R249-E253 IonicContact NH2-OE1 3.02Å; R249-E253 PolarHBondContact NH2-OE1 2.97Å; R249-E253 WeakPolarHBondContact O-CG 3.37Å; R249-E253 PolarHBondContact O-N 2.96Å
250G90.4Very high88.8Confident44 Ų4441 Ų4145%0.45422%0.218SC..Hα-helixtrans-67.2-19-179.600000115.4P248P248-G250 VanDerWaalsContact C-N 3.27Å; P248-G250 PolarHBondContact O-N 2.99Å; P248-G250 VanDerWaalsContact O-N 3.14Å
251V93.1Very high88.4Confident1 Ų143.7 Ų43.71%0.00623%0.232CC..Hα-helixtrans-84-37.6171.9168.50000110.2Y97 N143 Y145 I228 P248 R249 A254Y97-V251 HydrophobicContact CD2-CG2 4.32Å; Y97-V251 HydrophobicContact CE2-CG2 3.78Å; N143-V251 PolarHBondContact ND2-O 3.06Å; N143-V251 VanDerWaalsContact ND2-O 3.17Å; Y145-V251 HydrophobicContact CD2-CB 4.35Å; Y145-V251 HydrophobicContact CD2-CG1 3.71Å; Y145-V251 HydrophobicContact CD2-CG2 4.46Å; Y145-V251 HydrophobicContact CE2-CB 4.44Å; Y145-V251 HydrophobicContact CE2-CG1 4.28Å; Y145-V251 HydrophobicContact CE2-CG2 4.3Å; Y145-V251 HydrophobicContact CG-CG1 4.16Å; I228-V251 HydrophobicContact CB-CG1 4.33Å; I228-V251 HydrophobicContact CB-CG2 4.19Å; P248-V251 HydrophobicContact CG-CB 3.97Å; P248-V251 HydrophobicContact CG-CG2 3.67Å; P248-V251 PolarHBondContact O-N 3.08Å; R249-V251 VanDerWaalsContact C-N 3.26Å; R249-V251 PolarHBondContact O-N 3.4Å; V251-A254 PolarHBondContact O-N 3.19Å
252L91.4Very high88.1Confident12 Ų1243.7 Ų43.76%0.06323%0.232CC..Hα-helixtrans-70.2-32.8-179.6-64.1178.2000113.5R112 F125 P248 R249 A254 F255R112-L252 HydrophobicContact CB-CD1 3.79Å; R112-L252 HydrophobicContact CG-CD1 4.49Å; F125-L252 HydrophobicContact CB-CD1 4.27Å; F125-L252 HydrophobicContact CD1-CD1 3.49Å; F125-L252 VanDerWaalsContact CD1-CD1 3.49Å; F125-L252 HydrophobicContact CD2-CD1 3.81Å; F125-L252 HydrophobicContact CD2-CD2 4.01Å; F125-L252 HydrophobicContact CD2-CG 4.35Å; F125-L252 HydrophobicContact CE1-CD1 3.63Å; F125-L252 HydrophobicContact CE1-CD2 3.92Å; F125-L252 HydrophobicContact CE1-CG 4.41Å; F125-L252 HydrophobicContact CE2-CD1 3.94Å; F125-L252 HydrophobicContact CE2-CD2 3.34Å; F125-L252 HydrophobicContact CE2-CG 4.14Å; F125-L252 HydrophobicContact CG-CD1 3.6Å; F125-L252 HydrophobicContact CZ-CD1 3.86Å; F125-L252 HydrophobicContact CZ-CD2 3.3Å; F125-L252 HydrophobicContact CZ-CG 4.19Å; P248-L252 PolarHBondContact O-N 3.33Å; R249-L252 PolarHBondContact O-N 3.24Å; R249-L252 VanDerWaalsContact O-N 3.11Å; L252-A254 VanDerWaalsContact C-N 3.34Å; L252-F255 WeakPolarHBondContact O-CD1 3.18Å; L252-F255 WeakPolarHBondContact O-CE1 3.49Å
253E88.4Confident88Confident105 Ų10543 Ų4349%0.49123%0.226SC..THydrogen-bonded Turntrans-87-3.8179.9-66.9175.8161.400113.3R249 F255R249-E253 HydrophobicContact CG-CG 4.24Å; R249-E253 IonicContact CZ-OE1 2.86Å; R249-E253 VanDerWaalsContact CZ-OE1 3.22Å; R249-E253 VanDerWaalsContact NE-CD 3.35Å; R249-E253 IonicContact NE-OE1 3.87Å; R249-E253 PolarHBondContact NE-OE1 2.73Å; R249-E253 IonicContact NE-OE2 3.93Å; R249-E253 PolarHBondContact NE-OE2 3.19Å; R249-E253 IonicContact NH2-OE1 3.02Å; R249-E253 PolarHBondContact NH2-OE1 2.97Å; R249-E253 WeakPolarHBondContact O-CG 3.37Å; R249-E253 PolarHBondContact O-N 2.96Å; E253-F255 VanDerWaalsContact C-N 3.33Å; E253-F255 PolarHBondContact O-N 3.48Å; E253-F255 VanDerWaalsContact O-N 3.14Å
254A89.8Confident87.8Confident21 Ų2143 Ų4317%0.17423%0.225CC..  trans-89.264.5-178.700000111.6N143 D144 Y145 V251 L252N143-A254 WeakPolarHBondContact CB-O 3.34Å; D144-A254 WeakPolarHBondContact CB-O 3.28Å; D144-A254 VanDerWaalsContact CG-O 3.24Å; D144-A254 PolarHBondContact N-O 3.34Å; Y145-A254 HydrophobicContact CD2-CB 4.28Å; Y145-A254 HydrophobicContact CE2-CB 3.59Å; V251-A254 PolarHBondContact O-N 3.19Å; L252-A254 VanDerWaalsContact C-N 3.34Å
255F83.5Confident87.6Confident55 Ų5544 Ų4424%0.24123%0.231CC..  trans-126.1157.5175.756.9-91.7000111.5D142 N143 L252 E253 V265 W266D142-F255 WeakPolarHBondContact O-CB 3.5Å; N143-F255 HydrophobicContact CB-CB 3.93Å; L252-F255 WeakPolarHBondContact O-CD1 3.18Å; L252-F255 WeakPolarHBondContact O-CE1 3.49Å; E253-F255 VanDerWaalsContact C-N 3.33Å; E253-F255 PolarHBondContact O-N 3.48Å; E253-F255 VanDerWaalsContact O-N 3.14Å; F255-V265 HydrophobicContact CZ-CG1 4.45Å; F255-W266 HydrophobicContact CZ-CZ2 4.25Å
256H76.4Confident87.3Confident37 Ų3750.9 Ų50.917%0.17126%0.257CS..  trans-75.9142.8178.4-166.4-103.4000110.4R4 R7 D258 H259R4-H256 PolarHBondContact NH1-CE1 3.3Å; R7-H256 PolarHBondContact NH1-CD2 3.26Å; R7-H256 VanDerWaalsContact NH1-CD2 3.32Å; R7-H256 PolarHBondContact NH1-CE1 2.75Å; R7-H256 PolarHBondContact NH1-NE2 2.92Å; H256-D258 IonicContact CE1-OD1 2.71Å; H256-D258 PolarHBondContact CE1-OD1 3.01Å; H256-D258 IonicContact CE1-OD2 3.1Å; H256-D258 PolarHBondContact CE1-OD2 3.3Å; H256-D258 WeakPolarHBondContact ND1-CB 3.16Å; H256-D258 PolarHBondContact ND1-N 2.62Å; H256-D258 IonicContact ND1-OD1 2.67Å; H256-D258 IonicContact ND1-OD2 3.12Å; H256-D258 PolarHBondContact ND1-OD2 2.83Å; H256-D258 VanDerWaalsContact ND1-OD2 3.15Å; H256-D258 PolarHBondContact O-N 3.02Å; H256-H259 WeakPolarHBondContact O-CB 3.26Å; H256-H259 PolarHBondContact O-N 3.37Å
257P69.3Low87Confident86 Ų8647.6 Ų47.656%0.55825%0.246SC*.THydrogen-bonded Turntrans-63.2-7179-24.334.2000115.4H259P257-H259 VanDerWaalsContact C-N 3.31Å
258D74.6Confident86.8Confident101 Ų10147.6 Ų47.654%0.5425%0.246SC..THydrogen-bonded Turntrans-87.2-4.6173.7-56.8-12.4000111.7R4 H256 D260R4-D258 IonicContact CZ-OD1 3.95Å; R4-D258 IonicContact NH1-OD1 2.75Å; R4-D258 PolarHBondContact NH1-OD1 2.85Å; R4-D258 IonicContact NH1-OD2 3.9Å; R4-D258 IonicContact NH2-OD1 3.94Å; H256-D258 IonicContact CE1-OD1 2.71Å; H256-D258 PolarHBondContact CE1-OD1 3.01Å; H256-D258 IonicContact CE1-OD2 3.1Å; H256-D258 PolarHBondContact CE1-OD2 3.3Å; H256-D258 WeakPolarHBondContact ND1-CB 3.16Å; H256-D258 PolarHBondContact ND1-N 2.62Å; H256-D258 IonicContact ND1-OD1 2.67Å; H256-D258 IonicContact ND1-OD2 3.12Å; H256-D258 PolarHBondContact ND1-OD2 2.83Å; H256-D258 VanDerWaalsContact ND1-OD2 3.15Å; H256-D258 PolarHBondContact O-N 3.02Å; D258-D260 VanDerWaalsContact C-N 3.33Å; D258-D260 PolarHBondContact O-N 2.85Å
259H72.6Confident86.5Confident48 Ų4849.7 Ų49.722%0.22226%0.259CS..  trans-91.370.6175-58.2-176.5000109D142 H256 P257 Q262D142-H259 PolarHBondContact O-ND1 3.3Å; D142-H259 IonicContact OD1-CE1 2.89Å; D142-H259 PolarHBondContact OD1-CE1 3.48Å; D142-H259 IonicContact OD1-ND1 3.44Å; D142-H259 IonicContact OD2-CD2 3.58Å; D142-H259 IonicContact OD2-CE1 3.21Å; D142-H259 IonicContact OD2-CG 3.86Å; D142-H259 IonicContact OD2-ND1 2.82Å; D142-H259 PolarHBondContact OD2-ND1 2.91Å; D142-H259 IonicContact OD2-NE2 3.5Å; H256-H259 WeakPolarHBondContact O-CB 3.26Å; H256-H259 PolarHBondContact O-N 3.37Å; P257-H259 VanDerWaalsContact C-N 3.31Å; H259-Q262 PolarHBondContact O-NE2 2.78Å
260D71.6Confident86.3Confident136 Ų13648.3 Ų48.373%0.72727%0.272SS*.  trans-77.6-20.1-175.458.3-9.4000113.6D258D258-D260 VanDerWaalsContact C-N 3.33Å; D258-D260 PolarHBondContact O-N 2.85Å
261L83.4Confident86.1Confident64 Ų6451 Ų5134%0.33528%0.284SS..  trans-109.5103178.8-170.965.8000111.5W138 P139 P269W138-L261 HydrophobicContact CE3-CD1 4.3Å; W138-L261 HydrophobicContact CE3-CD2 3.95Å; W138-L261 HydrophobicContact CE3-CG 4.49Å; W138-L261 HydrophobicContact CZ3-CD1 4.06Å; W138-L261 HydrophobicContact CZ3-CD2 3.96Å; P139-L261 HydrophobicContact CG-CB 4.22Å; P139-L261 HydrophobicContact CG-CD2 3.92Å; P139-L261 HydrophobicContact CG-CG 3.83Å; P139-L261 WeakPolarHBondContact CG-O 3.42Å; L261-P269 HydrophobicContact CD1-CG 4.09Å
262Q92.6Very high85.7Confident2 Ų253.9 Ų53.91%0.00930%0.297CS..  trans-146.1105.5173.8-67.9-177.377.100109.7L140 D142 H259 C264 V265 W266L140-Q262 CarbonylContact O-C 3.47Å; D142-Q262 HydrophobicContact CB-CG 4.19Å; D142-Q262 PolarHBondContact O-NE2 2.87Å; D142-Q262 PolarHBondContact O-OE1 2.9Å; H259-Q262 PolarHBondContact O-NE2 2.78Å; Q262-C264 VanDerWaalsContact C-N 3.28Å; Q262-C264 PolarHBondContact O-N 2.82Å; Q262-V265 HydrophobicContact CB-CB 4.1Å; Q262-V265 HydrophobicContact CB-CG2 3.91Å; Q262-V265 PolarHBondContact O-N 3.44Å; Q262-W266 PolarHBondContact O-N 3.13Å
263L94.3Very high85.5Confident0 Ų059 Ų590%032%0.316CS..Hα-helixtrans-64.2-30.9-172-61.1-179.4000113.2I122 W138 P139 L140 V265 G267 C268I122-L263 HydrophobicContact CD1-CB 4.03Å; I122-L263 HydrophobicContact CD1-CD1 3.77Å; I122-L263 HydrophobicContact CD1-CG 4.38Å; W138-L263 HydrophobicContact CB-CD1 3.69Å; W138-L263 HydrophobicContact CE3-CD2 4.44Å; W138-L263 HydrophobicContact CG-CD1 4.35Å; P139-L263 PolarHBondContact O-N 2.87Å; L140-L263 HydrophobicContact CD2-CB 3.77Å; L140-L263 HydrophobicContact CD2-CD1 3.98Å; L140-L263 HydrophobicContact CD2-CG 4.39Å; L140-L263 PolarHBondContact O-N 3.2Å; L263-V265 VanDerWaalsContact C-N 3.27Å; L263-V265 PolarHBondContact O-N 3.08Å; L263-G267 WeakPolarHBondContact CD2-O 3.3Å; L263-G267 WeakPolarHBondContact O-CA 3.38Å; L263-G267 PolarHBondContact O-N 2.81Å; L263-C268 HydrophobicContact CD2-CB 4.42Å
264C95.6Very high85.1Confident0 Ų056 Ų560%030%0.304CS..Hα-helixtrans-72.5-18.9175.8-78.10000113.8C114 T124 F125 L140 I141 Q262C114-C264 HydrophobicContact CB-CB 3.64Å; C114-C264 WeakPolarHBondContact CB-SG 3.5Å; C114-C264 WeakPolarHBondContact SG-CA 3.41Å; C114-C264 WeakPolarHBondContact SG-CB 3.43Å; C114-C264 CovalentContact SG-SG 2.03Å; C114-C264 PolarHBondContact SG-SG 3.3Å; T124-C264 CarbonylContact C-O 3.53Å; T124-C264 WeakPolarHBondContact CA-O 3.22Å; T124-C264 WeakPolarHBondContact CB-O 3.27Å; F125-C264 HydrophobicContact CD2-CB 3.76Å; F125-C264 VanDerWaalsContact CD2-O 3.24Å; F125-C264 WeakPolarHBondContact CD2-O 3.03Å; F125-C264 HydrophobicContact CE2-CB 3.38Å; F125-C264 HydrophobicContact CZ-CB 3.98Å; F125-C264 PolarHBondContact N-O 2.82Å; L140-C264 VanDerWaalsContact O-CB 3.29Å; L140-C264 WeakPolarHBondContact O-CB 3.07Å; L140-C264 PolarHBondContact O-N 3.42Å; I141-C264 HydrophobicContact CG1-CB 4.02Å; Q262-C264 VanDerWaalsContact C-N 3.28Å; Q262-C264 PolarHBondContact O-N 2.82Å
265V93.4Very high84.1Confident24 Ų2460.9 Ų60.915%0.14533%0.328CS..Hα-helixtrans-95.3-50.2-180-175.80000110.2F125 F255 Q262 L263F125-V265 HydrophobicContact CD2-CG2 4.41Å; F255-V265 HydrophobicContact CZ-CG1 4.45Å; Q262-V265 HydrophobicContact CB-CB 4.1Å; Q262-V265 HydrophobicContact CB-CG2 3.91Å; Q262-V265 PolarHBondContact O-N 3.44Å; L263-V265 VanDerWaalsContact C-N 3.27Å; L263-V265 PolarHBondContact O-N 3.08Å
266W91.6Very high83.1Confident146 Ų14659.6 Ų59.655%0.55332%0.324SS*.Hα-helixtrans-107.7-9.3-170.3-52.3118.5000113.8F255 Q262F255-W266 HydrophobicContact CZ-CZ2 4.25Å; Q262-W266 PolarHBondContact O-N 3.13Å
267G91.6Very high82.1Confident3 Ų362.6 Ų62.63%0.03134%0.341CS..  trans69.5-164.2-167.900000112.2H130 L263H130-G267 WeakPolarHBondContact ND1-CA 3.32Å; L263-G267 WeakPolarHBondContact CD2-O 3.3Å; L263-G267 WeakPolarHBondContact O-CA 3.38Å; L263-G267 PolarHBondContact O-N 2.81Å
268C90.9Very high81.3Confident2 Ų269.5 Ų69.51%0.01436%0.356CS..SBendtrans-80.7145-177.9-57.80000111.7I122 C132 L263 R273I122-C268 WeakPolarHBondContact CD1-SG 3.44Å; C132-C268 HydrophobicContact CB-CB 3.81Å; C132-C268 WeakPolarHBondContact CB-SG 3.49Å; C132-C268 WeakPolarHBondContact SG-CB 3.22Å; C132-C268 CovalentContact SG-SG 1.99Å; C132-C268 PolarHBondContact SG-SG 2.88Å; L263-C268 HydrophobicContact CD2-CB 4.42Å; C268-R273 HydrophobicContact CB-CG 4.31Å; C268-R273 PolarHBondContact O-NE 2.95Å; C268-R273 PolarHBondContact O-NH2 2.82Å; C268-R273 VanDerWaalsContact O-NH2 3.13Å
269P90.3Very high80.2Confident43 Ų4366.8 Ų66.828%0.27934%0.344SS..  trans-55144.6170.3-23.233.1000110.9W138 L261 S271 H272 R273W138-P269 HydrophobicContact CZ3-CG 4.22Å; L261-P269 HydrophobicContact CD1-CG 4.09Å; P269-S271 PolarHBondContact O-N 2.97Å; P269-S271 VanDerWaalsContact O-N 3.08Å; P269-H272 PolarHBondContact O-N 2.91Å; P269-R273 PolarHBondContact O-N 3.23Å
270A87.1Confident79.2Confident84 Ų8468.3 Ų68.369%0.69436%0.358SS*.G310 helixtrans-54.2-33.9-17600000113.6H272 R273A270-H272 PolarHBondContact O-N 2.86Å; A270-R273 PolarHBondContact O-N 3.34Å
271S85.9Confident78.4Confident102 Ų10267.7 Ų67.771%0.71336%0.361SS*.G310 helixtrans-66.1-16.2177.452.70000114.9P269P269-S271 PolarHBondContact O-N 2.97Å; P269-S271 VanDerWaalsContact O-N 3.08Å
272H85.6Confident77Confident60 Ų6073.8 Ų73.828%0.27839%0.388SS..G310 helixtrans-114.96.7-178.7-63.673.8000112.4C132 A133 V134 W138 P269 A270C132-H272 CarbonylContact C-O 3.59Å; C132-H272 WeakPolarHBondContact CA-O 3.32Å; A133-H272 PolarHBondContact N-O 3.08Å; V134-H272 HydrophobicContact CG1-CB 3.83Å; W138-H272 AromaticContact CH2-CE1 3.96Å; W138-H272 AromaticContact CH2-NE2 3.83Å; W138-H272 AromaticContact CZ2-CD2 3.96Å; W138-H272 AromaticContact CZ2-NE2 3.8Å; P269-H272 PolarHBondContact O-N 2.91Å; A270-H272 PolarHBondContact O-N 2.86Å
273R86.3Confident75.2Confident120 Ų12076 Ų7645%0.45341%0.407SS..EExtended strand (participates in β ladder)trans-80.6136176.7-66.5-178.4-172.8-161.5-4.4110H130 C268 P269 A270H130-R273 PolarHBondContact CE1-NH2 2.85Å; H130-R273 PolarHBondContact NE2-NH1 2.86Å; C268-R273 HydrophobicContact CB-CG 4.31Å; C268-R273 PolarHBondContact O-NE 2.95Å; C268-R273 PolarHBondContact O-NH2 2.82Å; C268-R273 VanDerWaalsContact O-NH2 3.13Å; P269-R273 PolarHBondContact O-N 3.23Å; A270-R273 PolarHBondContact O-N 3.34Å
274V81.2Confident73.9Confident42 Ų4276.4 Ų76.426%0.25541%0.41SS..EExtended strand (participates in β ladder)trans-107.7132.2174.1-176.40000108.8T131 A133 V276 F307T131-V274 HydrophobicContact CG2-CB 4.23Å; T131-V274 PolarHBondContact O-N 2.83Å; A133-V274 HydrophobicContact CB-CG2 3.62Å; V274-V276 PolarHBondContact O-N 2.87Å; V274-F307 HydrophobicContact CG1-CE2 4.08Å; V274-F307 HydrophobicContact CG1-CZ 4.11Å
275D69.4Low73.2Confident123 Ų12378.4 Ų78.466%0.65843%0.431SS*.  trans-77.3116.9173.7-170-6.6000110.1L277D275-L277 VanDerWaalsContact C-N 3.32Å; D275-L277 WeakPolarHBondContact OD1-CB 3.18Å; D275-L277 PolarHBondContact OD1-N 2.82Å; D275-L277 VanDerWaalsContact OD1-N 3.08Å
276V61.7Low72.8Confident29 Ų2981 Ų8118%0.17646%0.455CS..  trans-82.3-12.6-174.4-169.90000111.8T131 V274 R278 H303 F307T131-V276 VanDerWaalsContact CB-CG2 3.48Å; T131-V276 HydrophobicContact CG2-CG2 4.23Å; T131-V276 WeakPolarHBondContact OG1-CG2 3.48Å; V274-V276 PolarHBondContact O-N 2.87Å; V276-R278 VanDerWaalsContact C-N 3.29Å; V276-R278 PolarHBondContact O-N 2.81Å; V276-H303 HydrophobicContact CG1-CB 4.29Å; V276-F307 HydrophobicContact CG1-CB 4.06Å; V276-F307 HydrophobicContact CG1-CD2 4.08Å; V276-F307 HydrophobicContact CG1-CG 4.33Å
277L54.5Low72.8Confident100 Ų10074.4 Ų74.452%0.52443%0.432SS..SBendtrans-839.6-166.4-70.1168.6000115.2D275D275-L277 VanDerWaalsContact C-N 3.32Å; D275-L277 WeakPolarHBondContact OD1-CB 3.18Å; D275-L277 PolarHBondContact OD1-N 2.82Å; D275-L277 VanDerWaalsContact OD1-N 3.08Å
278R53.5Low72.7Confident230 Ų23078 Ų7887%0.86845%0.448SS*.  trans-142.765-178.6-136.8177.7-169.4126.80.1115.4V276V276-R278 VanDerWaalsContact C-N 3.29Å; V276-R278 PolarHBondContact O-N 2.81Å
279P51.3Low72.8Confident44 Ų4481.1 Ų81.129%0.28647%0.474SS..  trans-64.9148.8165.527.9-31.9000110.9A284 T310P279-A284 HydrophobicContact CB-CB 4.26Å; P279-A284 HydrophobicContact CG-CB 4.09Å; P279-T310 HydrophobicContact CB-CG2 4.2Å
280P52Low73Confident81 Ų8181.9 Ų81.953%0.52647%0.473SS..  trans-61.5137.3175.821.3-29.9000111.6Q282 A283 A284 T310P280-Q282 VanDerWaalsContact C-N 3.32Å; P280-Q282 PolarHBondContact O-N 3.42Å; P280-Q282 VanDerWaalsContact O-N 3.12Å; P280-A283 PolarHBondContact O-N 3.49Å; P280-A284 PolarHBondContact O-N 2.87Å; P280-T310 HydrophobicContact CG-CG2 4.29Å
281P55.4Low73.4Confident122 Ų12277.9 Ų77.979%0.79244%0.44SS*.Hα-helixtrans-66.1-22.6-160.521.1-32.6000115.9
282Q52.6Low73.8Confident192 Ų19275.2 Ų75.290%0.89743%0.425SS*.Hα-helixtrans-89.1-29.3-177.4-68.9-179.9-3.100113.5P280P280-Q282 VanDerWaalsContact C-N 3.32Å; P280-Q282 PolarHBondContact O-N 3.42Å; P280-Q282 VanDerWaalsContact O-N 3.12Å
283A55.3Low74.3Confident50 Ų5076.5 Ų76.541%0.41345%0.446SS..Hα-helixtrans-85.1-2417700000112.5P280 G285 T310P280-A283 PolarHBondContact O-N 3.49Å; A283-G285 PolarHBondContact O-N 3.4Å; A283-T310 HydrophobicContact CB-CG2 4Å
284A65.9Low74.8Confident7 Ų774.7 Ų74.76%0.05844%0.444CS..Hα-helixtrans-62.3-41-179.300000113.1P279 P280 A286 A287 E288P279-A284 HydrophobicContact CB-CB 4.26Å; P279-A284 HydrophobicContact CG-CB 4.09Å; P280-A284 PolarHBondContact O-N 2.87Å; A284-A286 PolarHBondContact O-N 3.21Å; A284-A287 PolarHBondContact O-N 2.92Å; A284-E288 VanDerWaalsContact O-CB 3.26Å; A284-E288 WeakPolarHBondContact O-CB 3.42Å; A284-E288 WeakPolarHBondContact O-CG 3.33Å; A284-E288 PolarHBondContact O-N 3.45Å
285G81.1Confident75.4Confident43 Ų4373 Ų7344%0.44343%0.434SS..Hα-helixtrans-62.9-41.7-170.800000115.1A283 A289A283-G285 PolarHBondContact O-N 3.4Å; G285-A289 PolarHBondContact O-N 3.47Å; G285-A289 VanDerWaalsContact O-N 3.16Å
286A86.7Confident76.5Confident77 Ų7771.3 Ų71.364%0.63643%0.43SS*.Hα-helixtrans-72.4-41.1177.700000112A284 A289 H290A284-A286 PolarHBondContact O-N 3.21Å; A286-A289 PolarHBondContact O-N 3.24Å; A286-H290 PolarHBondContact O-N 2.04Å; A286-H290 VanDerWaalsContact O-N 3.08Å
287A89.9Confident77.8Confident9 Ų972.4 Ų72.47%0.07444%0.437CS..Hα-helixtrans-63.4-42.8176.100000111.7A284 H290 C291 V306 L309A284-A287 PolarHBondContact O-N 2.92Å; A287-H290 PolarHBondContact O-N 3.46Å; A287-C291 WeakPolarHBondContact O-CB 3.33Å; A287-C291 PolarHBondContact O-N 2.9Å; A287-C291 PolarHBondContact O-SG 3.29Å; A287-V306 HydrophobicContact CB-CG1 4.28Å; A287-L309 HydrophobicContact CB-CB 3.9Å; A287-L309 HydrophobicContact CB-CD1 4.2Å
288E90.9Very high79.5Confident79 Ų7976 Ų7637%0.36944%0.443SS..Hα-helixtrans-59.7-47175.2-76.9177.5-177.700112.1A284 H290 C291 A292 Y302 V306A284-E288 VanDerWaalsContact O-CB 3.26Å; A284-E288 WeakPolarHBondContact O-CB 3.42Å; A284-E288 WeakPolarHBondContact O-CG 3.33Å; A284-E288 PolarHBondContact O-N 3.45Å; E288-H290 PolarHBondContact O-N 3.43Å; E288-C291 PolarHBondContact O-N 2.98Å; E288-A292 WeakPolarHBondContact O-CB 3.43Å; E288-A292 PolarHBondContact O-N 3.09Å; E288-Y302 WeakPolarHBondContact CA-OH 3.29Å; E288-Y302 VanDerWaalsContact CB-OH 3.28Å; E288-Y302 WeakPolarHBondContact CB-OH 3.49Å; E288-Y302 WeakPolarHBondContact CG-OH 3.41Å; E288-V306 HydrophobicContact CG-CG1 4.05Å; E288-V306 HydrophobicContact CG-CG2 4.05Å
289A92.8Very high81.3Confident67 Ų6765 Ų6555%0.55440%0.402SS*.Hα-helixtrans-61.4-43.5177.900000112G285 A286 A292 A293G285-A289 PolarHBondContact O-N 3.47Å; G285-A289 VanDerWaalsContact O-N 3.16Å; A286-A289 PolarHBondContact O-N 3.24Å; A289-A292 PolarHBondContact O-N 2.77Å; A289-A293 PolarHBondContact O-N 3.45Å
290H94.5Very high83.2Confident58 Ų5863.2 Ų63.227%0.26939%0.39SS..Hα-helixtrans-64.5-48.5177.4-177.283.9000112A286 A287 E288 A292 A293 L294 L309 S318A286-H290 PolarHBondContact O-N 2.04Å; A286-H290 VanDerWaalsContact O-N 3.08Å; A287-H290 PolarHBondContact O-N 3.46Å; E288-H290 PolarHBondContact O-N 3.43Å; H290-A292 VanDerWaalsContact C-N 3.32Å; H290-A292 PolarHBondContact O-N 2.95Å; H290-A293 PolarHBondContact O-N 3.23Å; H290-L294 WeakPolarHBondContact NE2-CD1 3.42Å; H290-L294 PolarHBondContact O-N 2.98Å; H290-L309 HydrophobicContact CB-CD1 4.31Å; H290-S318 PolarHBondContact NE2-OG 2.97Å; H290-S318 VanDerWaalsContact NE2-OG 3.17Å
291C95.2Very high85.2Confident0 Ų059.4 Ų59.40%037%0.365CS..Hα-helixtrans-65.4-34.5178.5-67.10000112.7A287 E288 A293 L294 L295 Y302 C305 V306 L309A287-C291 WeakPolarHBondContact O-CB 3.33Å; A287-C291 PolarHBondContact O-N 2.9Å; A287-C291 PolarHBondContact O-SG 3.29Å; E288-C291 PolarHBondContact O-N 2.98Å; C291-A293 VanDerWaalsContact C-N 3.26Å; C291-A293 PolarHBondContact O-N 3.45Å; C291-L294 PolarHBondContact O-N 3.41Å; C291-L295 WeakPolarHBondContact O-CB 3.43Å; C291-L295 PolarHBondContact O-N 3.28Å; C291-Y302 HydrophobicContact CB-CD2 3.82Å; C291-Y302 HydrophobicContact CB-CE2 3.81Å; C291-C305 HydrophobicContact CB-CB 3.83Å; C291-C305 WeakPolarHBondContact CB-SG 3.07Å; C291-C305 WeakPolarHBondContact SG-CB 3.45Å; C291-C305 CovalentContact SG-SG 2.04Å; C291-C305 PolarHBondContact SG-SG 2.83Å; C291-V306 HydrophobicContact CB-CG2 3.8Å; C291-V306 PolarHBondContact SG-N 3.23Å; C291-L309 WeakPolarHBondContact SG-CD1 3.33Å
292A95Very high87.1Confident47 Ų4754 Ų5439%0.38833%0.329SS..Hα-helixtrans-66.9-27.3176.600000112.7E288 A289 H290 Y302E288-A292 WeakPolarHBondContact O-CB 3.43Å; E288-A292 PolarHBondContact O-N 3.09Å; A289-A292 PolarHBondContact O-N 2.77Å; H290-A292 VanDerWaalsContact C-N 3.32Å; H290-A292 PolarHBondContact O-N 2.95Å; A292-Y302 HydrophobicContact CB-CE2 3.98Å
293A95.9Very high88.9Confident87 Ų8747.5 Ų47.572%0.71930%0.298SS*.Hα-helixtrans-75.6-27.1174.800000112.8A289 H290 C291A289-A293 PolarHBondContact O-N 3.45Å; H290-A293 PolarHBondContact O-N 3.23Å; C291-A293 VanDerWaalsContact C-N 3.26Å; C291-A293 PolarHBondContact O-N 3.45Å
294L95.8Very high90.7Very high81 Ų8145.1 Ų45.142%0.42428%0.279SS..Hα-helixtrans-95.2-34-176.1-65.1178.6000113.7H290 C291 S318 V322H290-L294 WeakPolarHBondContact NE2-CD1 3.42Å; H290-L294 PolarHBondContact O-N 2.98Å; C291-L294 PolarHBondContact O-N 3.41Å; L294-S318 WeakPolarHBondContact CD1-OG 3.24Å; L294-V322 HydrophobicContact CB-CG2 3.99Å; L294-V322 HydrophobicContact CD1-CG2 4.3Å
295L95Very high92Very high6 Ų644.8 Ų44.83%0.03128%0.276CS..  trans-112.8130-172.1-66.4165.7000110.2C291 T297 Y301 C305 A321 V322 L325C291-L295 WeakPolarHBondContact O-CB 3.43Å; C291-L295 PolarHBondContact O-N 3.28Å; L295-T297 VanDerWaalsContact C-N 3.3Å; L295-T297 PolarHBondContact O-N 3.43Å; L295-Y301 WeakPolarHBondContact CD1-O 3.2Å; L295-C305 HydrophobicContact CD1-CB 3.67Å; L295-A321 HydrophobicContact CD1-CB 4.22Å; L295-V322 HydrophobicContact CD2-CG2 4.08Å; L295-V322 HydrophobicContact CG-CG2 4.37Å; L295-L325 HydrophobicContact CD2-CB 4.34Å; L295-L325 HydrophobicContact CD2-CD2 3.63Å
296P90.8Very high92.6Very high89 Ų8943 Ų4358%0.57826%0.257SS*.SBendtrans-76.5-17.5-168.726.8-30.8000113.9L325P296-L325 HydrophobicContact CG-CD2 4.18Å
297T90.6Very high92.7Very high52 Ų5240.8 Ų40.832%0.31923%0.233SC..SBendtrans-134.4141.6-174.8-48.90000109L295 D299 Y302 H339L295-T297 VanDerWaalsContact C-N 3.3Å; L295-T297 PolarHBondContact O-N 3.43Å; T297-D299 HydrophobicContact CG2-CB 4.06Å; T297-D299 PolarHBondContact O-N 3.41Å; T297-Y302 WeakPolarHBondContact O-CB 3.3Å; T297-H339 PolarHBondContact OG1-CE1 3.41Å
298R89.6Confident92.7Very high174 Ų17440.8 Ų40.866%0.65723%0.232SC*.SBendtrans-79.364.3172.4-66.2-176.3176.6-170.8-3.4111.3Y302R298-Y302 HydrophobicContact CB-CD1 4.07Å; R298-Y302 HydrophobicContact CB-CE1 4.42Å; R298-Y302 HydrophobicContact CB-CG 4.33Å; R298-Y302 HydrophobicContact CG-CD1 4.17Å; R298-Y302 HydrophobicContact CG-CD2 4.39Å; R298-Y302 HydrophobicContact CG-CE1 4.17Å; R298-Y302 HydrophobicContact CG-CE2 4.37Å; R298-Y302 HydrophobicContact CG-CG 4.28Å
299D90.5Very high92.7Very high1 Ų137.6 Ų37.61%0.00522%0.217CC..SBendtrans-109.8-167.5-17775.6-9.1000111.6T297 Y301 Y302 H303 H339 L340T297-D299 HydrophobicContact CG2-CB 4.06Å; T297-D299 PolarHBondContact O-N 3.41Å; D299-Y301 PolarHBondContact O-N 2.86Å; D299-Y301 WeakPolarHBondContact OD1-CB 3.28Å; D299-Y301 PolarHBondContact OD1-N 2.83Å; D299-Y301 WeakPolarHBondContact OD2-CD2 3.28Å; D299-Y302 WeakPolarHBondContact O-CB 3.48Å; D299-Y302 PolarHBondContact O-N 2.98Å; D299-Y302 PolarHBondContact OD1-N 3.22Å; D299-H303 PolarHBondContact O-CD2 2.88Å; D299-H303 PolarHBondContact O-N 2.75Å; D299-H339 HydrophobicContact CB-CB 4.42Å; D299-H339 WeakPolarHBondContact OD2-CA 3.31Å; D299-H339 WeakPolarHBondContact OD2-CB 3.07Å; D299-H339 IonicContact OD2-CE1 3.28Å; D299-H339 IonicContact OD2-CG 3.95Å; D299-H339 IonicContact OD2-ND1 2.74Å; D299-H339 PolarHBondContact OD2-ND1 3.25Å; D299-L340 WeakPolarHBondContact CB-O 3.24Å
300V91.2Very high92.5Very high6 Ų636.1 Ų36.14%0.03620%0.201CC..Hα-helixtrans-54.4-33.4178.1-66.90000114.3F129 H303 A304 L340F129-V300 HydrophobicContact CB-CB 4.21Å; F129-V300 HydrophobicContact CB-CG1 3.65Å; F129-V300 HydrophobicContact CD1-CB 3.8Å; F129-V300 HydrophobicContact CD1-CG1 3.72Å; F129-V300 HydrophobicContact CD2-CB 3.67Å; F129-V300 HydrophobicContact CD2-CG1 4.09Å; F129-V300 HydrophobicContact CD2-CG2 3.81Å; F129-V300 HydrophobicContact CE1-CB 4.02Å; F129-V300 HydrophobicContact CE1-CG1 4.39Å; F129-V300 HydrophobicContact CE2-CB 3.89Å; F129-V300 HydrophobicContact CE2-CG2 4.12Å; F129-V300 HydrophobicContact CG-CB 3.6Å; F129-V300 HydrophobicContact CG-CG1 3.53Å; F129-V300 HydrophobicContact CG-CG2 4.16Å; F129-V300 HydrophobicContact CZ-CB 4.05Å; V300-H303 PolarHBondContact O-N 2.61Å; V300-A304 VanDerWaalsContact O-CB 3.27Å; V300-A304 WeakPolarHBondContact O-CB 3.49Å; V300-A304 PolarHBondContact O-N 3.37Å; V300-L340 HydrophobicContact CB-CB 4.49Å; V300-L340 HydrophobicContact CG1-CB 3.93Å; V300-L340 WeakPolarHBondContact CG1-O 3.42Å; V300-L340 HydrophobicContact CG2-CB 3.76Å; V300-L340 HydrophobicContact CG2-CD1 4.28Å; V300-L340 HydrophobicContact CG2-CG 4.34Å; V300-L340 PolarHBondContact N-O 3.34Å
301Y94.6Very high92Very high0 Ų034.9 Ų34.90%020%0.201CC..Hα-helixtrans-72.2-37.8178.1-59-78.1000110.8F117 R123 L295 D299 A304 C305 A321 A324 L325 A328 V338F117-Y301 HydrophobicContact CE1-CD1 4.24Å; F117-Y301 HydrophobicContact CE1-CE1 4.03Å; F117-Y301 HydrophobicContact CE2-CD1 4.37Å; F117-Y301 AromaticContact CZ-CD1 3.69Å; F117-Y301 HydrophobicContact CZ-CD1 3.69Å; F117-Y301 AromaticContact CZ-CE1 3.95Å; F117-Y301 HydrophobicContact CZ-CE1 3.95Å; R123-Y301 PolarHBondContact NH1-OH 2.8Å; R123-Y301 VanDerWaalsContact NH1-OH 3.09Å; L295-Y301 WeakPolarHBondContact CD1-O 3.2Å; D299-Y301 PolarHBondContact O-N 2.86Å; D299-Y301 WeakPolarHBondContact OD1-CB 3.28Å; D299-Y301 PolarHBondContact OD1-N 2.83Å; D299-Y301 WeakPolarHBondContact OD2-CD2 3.28Å; Y301-A304 PolarHBondContact O-N 2.92Å; Y301-C305 WeakPolarHBondContact O-CB 3.37Å; Y301-C305 PolarHBondContact O-N 3.45Å; Y301-A321 WeakPolarHBondContact O-CB 3.2Å; Y301-A324 HydrophobicContact CD1-CB 4.06Å; Y301-A324 HydrophobicContact CE1-CB 3.88Å; Y301-L325 HydrophobicContact CD1-CB 4.2Å; Y301-L325 HydrophobicContact CD2-CB 4.26Å; Y301-L325 HydrophobicContact CD2-CD1 3.8Å; Y301-L325 HydrophobicContact CE2-CD1 3.88Å; Y301-L325 HydrophobicContact CG-CB 4.06Å; Y301-L325 HydrophobicContact CG-CD1 4.45Å; Y301-A328 WeakPolarHBondContact OH-CB 3.22Å; Y301-V338 WeakPolarHBondContact CE2-O 3.37Å
302Y94.3Very high91.6Very high8 Ų838 Ų383%0.03122%0.222CC..Hα-helixtrans-61.7-47.3172.6170-91.4000111.5E288 C291 A292 T297 R298 D299 A304 C305 V306E288-Y302 WeakPolarHBondContact CA-OH 3.29Å; E288-Y302 VanDerWaalsContact CB-OH 3.28Å; E288-Y302 WeakPolarHBondContact CB-OH 3.49Å; E288-Y302 WeakPolarHBondContact CG-OH 3.41Å; C291-Y302 HydrophobicContact CB-CD2 3.82Å; C291-Y302 HydrophobicContact CB-CE2 3.81Å; A292-Y302 HydrophobicContact CB-CE2 3.98Å; T297-Y302 WeakPolarHBondContact O-CB 3.3Å; R298-Y302 HydrophobicContact CB-CD1 4.07Å; R298-Y302 HydrophobicContact CB-CE1 4.42Å; R298-Y302 HydrophobicContact CB-CG 4.33Å; R298-Y302 HydrophobicContact CG-CD1 4.17Å; R298-Y302 HydrophobicContact CG-CD2 4.39Å; R298-Y302 HydrophobicContact CG-CE1 4.17Å; R298-Y302 HydrophobicContact CG-CE2 4.37Å; R298-Y302 HydrophobicContact CG-CG 4.28Å; D299-Y302 WeakPolarHBondContact O-CB 3.48Å; D299-Y302 PolarHBondContact O-N 2.98Å; D299-Y302 PolarHBondContact OD1-N 3.22Å; Y302-A304 VanDerWaalsContact C-N 3.35Å; Y302-A304 PolarHBondContact O-N 2.95Å; Y302-C305 WeakPolarHBondContact O-CB 3.43Å; Y302-C305 PolarHBondContact O-N 3.46Å; Y302-V306 HydrophobicContact CD1-CG2 4.4Å; Y302-V306 HydrophobicContact CE1-CG2 3.95Å; Y302-V306 HydrophobicContact CE2-CG2 4.16Å; Y302-V306 WeakPolarHBondContact O-CG2 3.04Å; Y302-V306 PolarHBondContact O-N 2.93Å
303H91.6Very high91.2Very high56 Ų5639.1 Ų39.126%0.25924%0.239SC..Hα-helixtrans-66.3-36.6179.3-74.5-72.8000112.7V276 D299 V300 V306 F307 P342V276-H303 HydrophobicContact CG1-CB 4.29Å; D299-H303 PolarHBondContact O-CD2 2.88Å; D299-H303 PolarHBondContact O-N 2.75Å; V300-H303 PolarHBondContact O-N 2.61Å; H303-V306 PolarHBondContact O-N 3.15Å; H303-F307 VanDerWaalsContact O-CB 3.3Å; H303-F307 WeakPolarHBondContact O-CB 3.43Å; H303-F307 PolarHBondContact O-N 2.87Å; H303-P342 WeakPolarHBondContact CD2-CG 3.39Å
304A92.7Very high90.8Very high0 Ų037.8 Ų37.80%022%0.219CC..Hα-helixtrans-58.9-48.9170.400000112.1F117 H121 F129 V300 Y301 Y302 V306 F307 D308 A321F117-A304 HydrophobicContact CE2-CB 3.7Å; F117-A304 HydrophobicContact CZ-CB 4.17Å; H121-A304 HydrophobicContact CB-CB 4.43Å; H121-A304 VanDerWaalsContact CD2-CB 3.42Å; H121-A304 WeakPolarHBondContact CD2-CB 3.47Å; H121-A304 WeakPolarHBondContact NE2-CA 3.18Å; H121-A304 PolarHBondContact NE2-O 2.88Å; F129-A304 HydrophobicContact CZ-CB 4.07Å; V300-A304 VanDerWaalsContact O-CB 3.27Å; V300-A304 WeakPolarHBondContact O-CB 3.49Å; V300-A304 PolarHBondContact O-N 3.37Å; Y301-A304 PolarHBondContact O-N 2.92Å; Y302-A304 VanDerWaalsContact C-N 3.35Å; Y302-A304 PolarHBondContact O-N 2.95Å; A304-V306 PolarHBondContact O-N 3.49Å; A304-F307 WeakPolarHBondContact O-CB 3.44Å; A304-F307 PolarHBondContact O-N 2.78Å; A304-D308 WeakPolarHBondContact O-CB 3.12Å; A304-D308 PolarHBondContact O-N 3.48Å; A304-A321 HydrophobicContact CB-CB 4.48Å
305C94.3Very high90.5Very high0 Ų039 Ų390%023%0.226CC..Hα-helixtrans-56.5-48.4176.5175.50000111.9C291 L295 Y301 Y302 F307 D308 L309 S318 A321C291-C305 HydrophobicContact CB-CB 3.83Å; C291-C305 WeakPolarHBondContact CB-SG 3.07Å; C291-C305 WeakPolarHBondContact SG-CB 3.45Å; C291-C305 CovalentContact SG-SG 2.04Å; C291-C305 PolarHBondContact SG-SG 2.83Å; L295-C305 HydrophobicContact CD1-CB 3.67Å; Y301-C305 WeakPolarHBondContact O-CB 3.37Å; Y301-C305 PolarHBondContact O-N 3.45Å; Y302-C305 WeakPolarHBondContact O-CB 3.43Å; Y302-C305 PolarHBondContact O-N 3.46Å; C305-F307 VanDerWaalsContact C-N 3.32Å; C305-F307 PolarHBondContact O-N 3Å; C305-D308 PolarHBondContact O-N 2.87Å; C305-L309 WeakPolarHBondContact O-CB 3.42Å; C305-L309 VanDerWaalsContact O-CG 3.27Å; C305-L309 WeakPolarHBondContact O-CG 3.37Å; C305-L309 PolarHBondContact O-N 2.88Å; C305-S318 VanDerWaalsContact SG-CB 3.51Å; C305-A321 HydrophobicContact CB-CB 3.76Å
306V92.1Very high90.3Very high7 Ų743.5 Ų43.54%0.04225%0.25CS..Hα-helixtrans-63.6-41.5-179.91740000110.8A287 E288 C291 Y302 H303 A304 T310A287-V306 HydrophobicContact CB-CG1 4.28Å; E288-V306 HydrophobicContact CG-CG1 4.05Å; E288-V306 HydrophobicContact CG-CG2 4.05Å; C291-V306 HydrophobicContact CB-CG2 3.8Å; C291-V306 PolarHBondContact SG-N 3.23Å; Y302-V306 HydrophobicContact CD1-CG2 4.4Å; Y302-V306 HydrophobicContact CE1-CG2 3.95Å; Y302-V306 HydrophobicContact CE2-CG2 4.16Å; Y302-V306 WeakPolarHBondContact O-CG2 3.04Å; Y302-V306 PolarHBondContact O-N 2.93Å; H303-V306 PolarHBondContact O-N 3.15Å; A304-V306 PolarHBondContact O-N 3.49Å; V306-T310 VanDerWaalsContact O-CB 3.29Å; V306-T310 WeakPolarHBondContact O-CB 2.94Å; V306-T310 PolarHBondContact O-N 3.24Å; V306-T310 PolarHBondContact O-OG1 3.36Å
307F89.8Confident90.3Very high30 Ų3040.3 Ų40.313%0.13223%0.23CC..Hα-helixtrans-61-54.8176.9-178.5-90.1000111.3D119 H121 T131 H161 V274 V276 H303 A304 C305 L309 T310 A311D119-F307 HydrophobicContact CB-CD1 4.35Å; D119-F307 HydrophobicContact CB-CE1 3.93Å; D119-F307 VanDerWaalsContact OD2-CE1 3.28Å; D119-F307 WeakPolarHBondContact OD2-CE1 3.32Å; H121-F307 AromaticContact CE1-CD1 3.59Å; H121-F307 AromaticContact NE2-CD1 3.89Å; T131-F307 HydrophobicContact CG2-CD1 4.22Å; T131-F307 HydrophobicContact CG2-CE1 3.76Å; T131-F307 HydrophobicContact CG2-CE2 4.47Å; T131-F307 HydrophobicContact CG2-CZ 3.92Å; H161-F307 AromaticContact CE1-CZ 3.7Å; H161-F307 AromaticContact ND1-CE1 3.85Å; H161-F307 AromaticContact ND1-CZ 3.83Å; V274-F307 HydrophobicContact CG1-CE2 4.08Å; V274-F307 HydrophobicContact CG1-CZ 4.11Å; V276-F307 HydrophobicContact CG1-CB 4.06Å; V276-F307 HydrophobicContact CG1-CD2 4.08Å; V276-F307 HydrophobicContact CG1-CG 4.33Å; H303-F307 VanDerWaalsContact O-CB 3.3Å; H303-F307 WeakPolarHBondContact O-CB 3.43Å; H303-F307 PolarHBondContact O-N 2.87Å; A304-F307 WeakPolarHBondContact O-CB 3.44Å; A304-F307 PolarHBondContact O-N 2.78Å; C305-F307 VanDerWaalsContact C-N 3.32Å; C305-F307 PolarHBondContact O-N 3Å; F307-L309 VanDerWaalsContact C-N 3.31Å; F307-L309 PolarHBondContact O-N 2.81Å; F307-T310 PolarHBondContact O-N 3.41Å; F307-A311 WeakPolarHBondContact O-CB 3.27Å; F307-A311 PolarHBondContact O-N 3.08Å
308D90.4Very high90.5Very high9 Ų938.2 Ų38.25%0.04822%0.217CC..Hα-helixtrans-58.3-40.3-179.8-81.1-19.4000112.3G118 D119 H121 A304 C305 S312 S317G118-D308 WeakPolarHBondContact CA-OD2 3.28Å; D119-D308 WeakPolarHBondContact CB-OD1 3.46Å; D119-D308 PolarHBondContact N-OD1 2.88Å; H121-D308 IonicContact CD2-OD1 3.86Å; H121-D308 IonicContact CD2-OD2 3.67Å; H121-D308 IonicContact NE2-OD1 3.22Å; H121-D308 PolarHBondContact NE2-OD1 3.39Å; H121-D308 IonicContact NE2-OD2 3.59Å; A304-D308 WeakPolarHBondContact O-CB 3.12Å; A304-D308 PolarHBondContact O-N 3.48Å; C305-D308 PolarHBondContact O-N 2.87Å; D308-S312 VanDerWaalsContact O-CB 3.22Å; D308-S312 WeakPolarHBondContact O-CB 3.33Å; D308-S312 PolarHBondContact O-N 3.47Å; D308-S312 PolarHBondContact O-OG 3.42Å; D308-S317 PolarHBondContact O-OG 2.66Å
309L90.3Very high90.8Very high11 Ų1131.2 Ų31.26%0.05820%0.199CC..Hα-helixtrans-69.5-43.2177.7-73.8178.9000112.5A287 H290 C291 C305 F307 A311 G313 D314 L315 S317A287-L309 HydrophobicContact CB-CB 3.9Å; A287-L309 HydrophobicContact CB-CD1 4.2Å; H290-L309 HydrophobicContact CB-CD1 4.31Å; C291-L309 WeakPolarHBondContact SG-CD1 3.33Å; C305-L309 WeakPolarHBondContact O-CB 3.42Å; C305-L309 VanDerWaalsContact O-CG 3.27Å; C305-L309 WeakPolarHBondContact O-CG 3.37Å; C305-L309 PolarHBondContact O-N 2.88Å; F307-L309 VanDerWaalsContact C-N 3.31Å; F307-L309 PolarHBondContact O-N 2.81Å; L309-A311 VanDerWaalsContact C-N 3.27Å; L309-A311 PolarHBondContact O-N 2.92Å; L309-G313 WeakPolarHBondContact O-CA 3.46Å; L309-G313 PolarHBondContact O-N 3.2Å; L309-D314 VanDerWaalsContact CD2-O 3.26Å; L309-D314 WeakPolarHBondContact CD2-O 3.49Å; L309-L315 VanDerWaalsContact CD2-CA 3.49Å; L309-L315 HydrophobicContact CD2-CD2 4.2Å; L309-S317 WeakPolarHBondContact CD2-OG 3.43Å; L309-S317 PolarHBondContact N-OG 2.87Å
310T88.1Confident91Very high37 Ų3731.4 Ų31.423%0.22720%0.201CC..Hα-helixtrans-66.8-36.4179.6-55.30000110.6P279 P280 A283 V306 F307P279-T310 HydrophobicContact CB-CG2 4.2Å; P280-T310 HydrophobicContact CG-CG2 4.29Å; A283-T310 HydrophobicContact CB-CG2 4Å; V306-T310 VanDerWaalsContact O-CB 3.29Å; V306-T310 WeakPolarHBondContact O-CB 2.94Å; V306-T310 PolarHBondContact O-N 3.24Å; V306-T310 PolarHBondContact O-OG1 3.36Å; F307-T310 PolarHBondContact O-N 3.41Å
311A85.3Confident91.2Very high31 Ų3131.1 Ų31.126%0.25620%0.199SC..Hα-helixtrans-69.6-49.2177.400000113.3H161 F307 L309H161-A311 WeakPolarHBondContact CE1-CB 3.19Å; H161-A311 VanDerWaalsContact ND1-CB 3.27Å; H161-A311 WeakPolarHBondContact ND1-CB 3.03Å; H161-A311 WeakPolarHBondContact NE2-CB 3.36Å; F307-A311 WeakPolarHBondContact O-CB 3.27Å; F307-A311 PolarHBondContact O-N 3.08Å; L309-A311 VanDerWaalsContact C-N 3.27Å; L309-A311 PolarHBondContact O-N 2.92Å
312S86.1Confident91.3Very high65 Ų6533.1 Ų33.146%0.45521%0.211SC..Hα-helixtrans-89.7-29.3-171.1750000113.6D308 D314 S317D308-S312 VanDerWaalsContact O-CB 3.22Å; D308-S312 WeakPolarHBondContact O-CB 3.33Å; D308-S312 PolarHBondContact O-N 3.47Å; D308-S312 PolarHBondContact O-OG 3.42Å; S312-D314 PolarHBondContact O-N 3.42Å; S312-D314 PolarHBondContact OG-N 3.16Å; S312-D314 PolarHBondContact OG-O 2.82Å; S312-S317 PolarHBondContact OG-OG 3.07Å
313G86.6Confident91.4Very high71 Ų7133.5 Ų33.573%0.73222%0.216SC*.  trans677.1-166.400000114.5L309L309-G313 WeakPolarHBondContact O-CA 3.46Å; L309-G313 PolarHBondContact O-N 3.2Å
314D87.1Confident91.6Very high59 Ų5931 Ų3132%0.31621%0.205SC..  trans-107.9115.4-178.2178.58.1000110.8L309 S312 N316 S317L309-D314 VanDerWaalsContact CD2-O 3.26Å; L309-D314 WeakPolarHBondContact CD2-O 3.49Å; S312-D314 PolarHBondContact O-N 3.42Å; S312-D314 PolarHBondContact OG-N 3.16Å; S312-D314 PolarHBondContact OG-O 2.82Å; D314-N316 PolarHBondContact O-N 3.3Å; D314-N316 WeakPolarHBondContact OD1-CB 3.41Å; D314-N316 PolarHBondContact OD1-N 2.91Å; D314-N316 PolarHBondContact OD1-ND2 3.31Å; D314-S317 WeakPolarHBondContact O-CB 3.29Å; D314-S317 PolarHBondContact O-N 3.17Å; D314-S317 PolarHBondContact O-OG 3.17Å
315L90.2Very high91.8Very high106 Ų10631.2 Ų31.256%0.55521%0.206SC*.G310 helixtrans-55.8-25.6178-66.2179.2000113.5L309 S317 S318L309-L315 VanDerWaalsContact CD2-CA 3.49Å; L309-L315 HydrophobicContact CD2-CD2 4.2Å; L315-S317 PolarHBondContact O-N 3.37Å; L315-S318 WeakPolarHBondContact O-CB 3.46Å; L315-S318 PolarHBondContact O-N 3.3Å; L315-S318 PolarHBondContact O-OG 3.1Å
316N91.1Very high91.7Very high102 Ų10235.6 Ų35.655%0.54523%0.229SC..G310 helixtrans-68.9-19178.5-60.1-60000113.1D314 S318 G319D314-N316 PolarHBondContact O-N 3.3Å; D314-N316 WeakPolarHBondContact OD1-CB 3.41Å; D314-N316 PolarHBondContact OD1-N 2.91Å; D314-N316 PolarHBondContact OD1-ND2 3.31Å; N316-S318 PolarHBondContact O-N 3.25Å; N316-G319 PolarHBondContact O-N 3.38Å; N316-G319 VanDerWaalsContact O-N 3.17Å
317S90.7Very high91.9Very high21 Ų2135.5 Ų35.515%0.14723%0.228CC..G310 helixtrans-65.6-27.9177.271.30000112.4D308 L309 S312 D314 L315 G319 A320D308-S317 PolarHBondContact O-OG 2.66Å; L309-S317 WeakPolarHBondContact CD2-OG 3.43Å; L309-S317 PolarHBondContact N-OG 2.87Å; S312-S317 PolarHBondContact OG-OG 3.07Å; D314-S317 WeakPolarHBondContact O-CB 3.29Å; D314-S317 PolarHBondContact O-N 3.17Å; D314-S317 PolarHBondContact O-OG 3.17Å; L315-S317 PolarHBondContact O-N 3.37Å; S317-G319 PolarHBondContact O-N 3.09Å; S317-G319 VanDerWaalsContact O-N 3.07Å; S317-A320 PolarHBondContact O-N 3.14Å; S317-A320 VanDerWaalsContact O-N 3.09Å
318S93.9Very high92.1Very high9 Ų934.1 Ų34.16%0.06322%0.222CC..Hα-helixtrans-56.3-26.7173.565.30000113.6H290 L294 C305 L315 N316 A320 A321 V322H290-S318 PolarHBondContact NE2-OG 2.97Å; H290-S318 VanDerWaalsContact NE2-OG 3.17Å; L294-S318 WeakPolarHBondContact CD1-OG 3.24Å; C305-S318 VanDerWaalsContact SG-CB 3.51Å; L315-S318 WeakPolarHBondContact O-CB 3.46Å; L315-S318 PolarHBondContact O-N 3.3Å; L315-S318 PolarHBondContact O-OG 3.1Å; N316-S318 PolarHBondContact O-N 3.25Å; S318-A320 PolarHBondContact O-N 3.34Å; S318-A321 PolarHBondContact O-N 2.58Å; S318-V322 WeakPolarHBondContact O-CG2 3.45Å; S318-V322 PolarHBondContact O-N 3.47Å
319G95.3Very high92.2Very high26 Ų2638.7 Ų38.727%0.26824%0.239SC..Hα-helixtrans-60.2-31178.500000113.3N316 S317 V322 A323N316-G319 PolarHBondContact O-N 3.38Å; N316-G319 VanDerWaalsContact O-N 3.17Å; S317-G319 PolarHBondContact O-N 3.09Å; S317-G319 VanDerWaalsContact O-N 3.07Å; G319-V322 PolarHBondContact O-N 3.12Å; G319-A323 VanDerWaalsContact O-CB 3.32Å; G319-A323 WeakPolarHBondContact O-CB 3.26Å; G319-A323 PolarHBondContact O-N 2.7Å
320A95.8Very high92.2Very high6 Ų641.7 Ų41.75%0.0526%0.26CS..Hα-helixtrans-65.1-45.4-179.300000111.8F117 S317 S318 A323 A324F117-A320 HydrophobicContact CB-CB 4.45Å; F117-A320 HydrophobicContact CD2-CB 4.43Å; S317-A320 PolarHBondContact O-N 3.14Å; S317-A320 VanDerWaalsContact O-N 3.09Å; S318-A320 PolarHBondContact O-N 3.34Å; A320-A323 PolarHBondContact O-N 3.3Å; A320-A324 WeakPolarHBondContact O-CB 3.41Å; A320-A324 PolarHBondContact O-N 3.22Å
321A96.1Very high92.4Very high0 Ų040.2 Ų40.20%025%0.251CS..Hα-helixtrans-66.1-40.1176.800000112.4F117 L295 Y301 A304 C305 S318 A324 L325F117-A321 HydrophobicContact CE2-CB 4.17Å; L295-A321 HydrophobicContact CD1-CB 4.22Å; Y301-A321 WeakPolarHBondContact O-CB 3.2Å; A304-A321 HydrophobicContact CB-CB 4.48Å; C305-A321 HydrophobicContact CB-CB 3.76Å; S318-A321 PolarHBondContact O-N 2.58Å; A321-A324 PolarHBondContact O-N 2.99Å; A321-L325 PolarHBondContact O-N 3.45Å
322V96.3Very high92.3Very high42 Ų4241.2 Ų41.226%0.25525%0.254SS..Hα-helixtrans-62.6-47.3175.71760000110.8L294 L295 S318 G319 A324 L325 L326L294-V322 HydrophobicContact CB-CG2 3.99Å; L294-V322 HydrophobicContact CD1-CG2 4.3Å; L295-V322 HydrophobicContact CD2-CG2 4.08Å; L295-V322 HydrophobicContact CG-CG2 4.37Å; S318-V322 WeakPolarHBondContact O-CG2 3.45Å; S318-V322 PolarHBondContact O-N 3.47Å; G319-V322 PolarHBondContact O-N 3.12Å; V322-A324 VanDerWaalsContact C-N 3.34Å; V322-A324 PolarHBondContact O-N 3.33Å; V322-L325 PolarHBondContact O-N 3.36Å; V322-L326 HydrophobicContact CG1-CD1 4.34Å; V322-L326 WeakPolarHBondContact O-CG 3.44Å; V322-L326 PolarHBondContact O-N 3.25Å; V322-L326 VanDerWaalsContact O-N 3.08Å
323A95.9Very high91.4Very high15 Ų1540 Ų4012%0.12425%0.252CS..Hα-helixtrans-62.1-41.2178.400000112.1R235 G319 A320 L326 D327R235-A323 PolarHBondContact NH1-O 2.98Å; G319-A323 VanDerWaalsContact O-CB 3.32Å; G319-A323 WeakPolarHBondContact O-CB 3.26Å; G319-A323 PolarHBondContact O-N 2.7Å; A320-A323 PolarHBondContact O-N 3.3Å; A323-L326 PolarHBondContact O-N 3.26Å; A323-D327 PolarHBondContact O-N 3.09Å
324A96.2Very high89.8Confident3 Ų343.4 Ų43.43%0.02526%0.264CS..Hα-helixtrans-65.1-39.8177.500000112.6F117 Y301 A320 A321 V322 D327 A328F117-A324 HydrophobicContact CB-CB 4.14Å; F117-A324 HydrophobicContact CD1-CB 3.35Å; F117-A324 HydrophobicContact CD2-CB 3.87Å; F117-A324 HydrophobicContact CE1-CB 3.57Å; F117-A324 HydrophobicContact CE2-CB 4.05Å; F117-A324 HydrophobicContact CG-CB 3.51Å; F117-A324 HydrophobicContact CZ-CB 3.92Å; Y301-A324 HydrophobicContact CD1-CB 4.06Å; Y301-A324 HydrophobicContact CE1-CB 3.88Å; A320-A324 WeakPolarHBondContact O-CB 3.41Å; A320-A324 PolarHBondContact O-N 3.22Å; A321-A324 PolarHBondContact O-N 2.99Å; V322-A324 VanDerWaalsContact C-N 3.34Å; V322-A324 PolarHBondContact O-N 3.33Å; A324-D327 PolarHBondContact O-N 3.44Å; A324-A328 WeakPolarHBondContact O-CB 3.42Å; A324-A328 PolarHBondContact O-N 3.4Å
325L95.4Very high88.3Confident5 Ų542.6 Ų42.63%0.02627%0.27CS..Hα-helixtrans-64-41174.4175.661.3000111.8L295 P296 Y301 A321 V322 D327 A328 R329 V338L295-L325 HydrophobicContact CD2-CB 4.34Å; L295-L325 HydrophobicContact CD2-CD2 3.63Å; P296-L325 HydrophobicContact CG-CD2 4.18Å; Y301-L325 HydrophobicContact CD1-CB 4.2Å; Y301-L325 HydrophobicContact CD2-CB 4.26Å; Y301-L325 HydrophobicContact CD2-CD1 3.8Å; Y301-L325 HydrophobicContact CE2-CD1 3.88Å; Y301-L325 HydrophobicContact CG-CB 4.06Å; Y301-L325 HydrophobicContact CG-CD1 4.45Å; A321-L325 PolarHBondContact O-N 3.45Å; V322-L325 PolarHBondContact O-N 3.36Å; L325-D327 VanDerWaalsContact C-N 3.34Å; L325-A328 PolarHBondContact O-N 2.96Å; L325-R329 HydrophobicContact CD1-CG 4.43Å; L325-R329 VanDerWaalsContact O-CG 3.32Å; L325-R329 WeakPolarHBondContact O-CG 3.41Å; L325-R329 PolarHBondContact O-N 2.96Å; L325-V338 HydrophobicContact CD1-CG1 3.64Å
326L94.2Very high86.6Confident92 Ų9247.6 Ų47.648%0.48229%0.291SS..Hα-helixtrans-62.9-42176.6-69.1174.2000111.6V322 A323 R329 S330V322-L326 HydrophobicContact CG1-CD1 4.34Å; V322-L326 WeakPolarHBondContact O-CG 3.44Å; V322-L326 PolarHBondContact O-N 3.25Å; V322-L326 VanDerWaalsContact O-N 3.08Å; A323-L326 PolarHBondContact O-N 3.26Å; L326-R329 PolarHBondContact O-N 2.87Å; L326-S330 PolarHBondContact O-N 2.78Å; L326-S330 VanDerWaalsContact O-N 3.12Å
327D94.8Very high85.7Confident6 Ų643.9 Ų43.93%0.03228%0.277CS..Hα-helixtrans-63.2-48.2174.4-77.3-22.1000112R235 S244 A323 A324 L325 R329 S330 M331R235-D327 IonicContact CZ-OD1 2.95Å; R235-D327 IonicContact CZ-OD2 3.75Å; R235-D327 IonicContact NE-OD1 3.93Å; R235-D327 IonicContact NH1-OD1 2.62Å; R235-D327 PolarHBondContact NH1-OD1 3.2Å; R235-D327 IonicContact NH1-OD2 3.26Å; R235-D327 PolarHBondContact NH1-OD2 2.85Å; R235-D327 IonicContact NH2-OD1 2.92Å; R235-D327 PolarHBondContact NH2-OD1 3.12Å; S244-D327 VanDerWaalsContact CB-OD2 3.31Å; S244-D327 WeakPolarHBondContact CB-OD2 3.27Å; S244-D327 WeakPolarHBondContact OG-CB 3.14Å; S244-D327 VanDerWaalsContact OG-CG 3.3Å; S244-D327 PolarHBondContact OG-OD2 2.87Å; A323-D327 PolarHBondContact O-N 3.09Å; A324-D327 PolarHBondContact O-N 3.44Å; L325-D327 VanDerWaalsContact C-N 3.34Å; D327-R329 VanDerWaalsContact C-N 3.28Å; D327-R329 PolarHBondContact O-N 2.87Å; D327-S330 PolarHBondContact O-N 3.35Å; D327-S330 PolarHBondContact O-OG 3.37Å; D327-M331 HydrophobicContact CB-CE 4.48Å; D327-M331 WeakPolarHBondContact O-CB 3.45Å; D327-M331 WeakPolarHBondContact O-CG 3.16Å; D327-M331 PolarHBondContact O-N 3.01Å
328A93.8Very high85.3Confident0 Ų043.6 Ų43.60%027%0.274CS..Hα-helixtrans-54.5-46.1178.500000111.2Y301 A324 L325 S330 M331 T332 V338Y301-A328 WeakPolarHBondContact OH-CB 3.22Å; A324-A328 WeakPolarHBondContact O-CB 3.42Å; A324-A328 PolarHBondContact O-N 3.4Å; L325-A328 PolarHBondContact O-N 2.96Å; A328-S330 PolarHBondContact O-N 3.28Å; A328-M331 PolarHBondContact O-N 3.02Å; A328-M331 VanDerWaalsContact O-N 3.16Å; A328-T332 PolarHBondContact O-N 2.89Å; A328-T332 PolarHBondContact O-OG1 3.38Å; A328-V338 HydrophobicContact CB-CG1 4.36Å
329R92.8Very high84.9Confident105 Ų10546.4 Ų46.440%0.39629%0.286SS..Hα-helixtrans-57.9-44.7175.3-73.4170.5173.3-176.2-6.9112.8L325 L326 D327 M331 G333 V338L325-R329 HydrophobicContact CD1-CG 4.43Å; L325-R329 VanDerWaalsContact O-CG 3.32Å; L325-R329 WeakPolarHBondContact O-CG 3.41Å; L325-R329 PolarHBondContact O-N 2.96Å; L326-R329 PolarHBondContact O-N 2.87Å; D327-R329 VanDerWaalsContact C-N 3.28Å; D327-R329 PolarHBondContact O-N 2.87Å; R329-M331 VanDerWaalsContact C-N 3.3Å; R329-M331 PolarHBondContact O-N 3.47Å; R329-G333 PolarHBondContact O-N 3.37Å; R329-V338 HydrophobicContact CG-CG1 3.75Å; R329-V338 HydrophobicContact CG-CG2 4.37Å
330S91.3Very high84.4Confident74 Ų7446.3 Ų46.352%0.51728%0.279SS..Hα-helixtrans-68.3-30.1178.877.80000112.9L326 D327 A328L326-S330 PolarHBondContact O-N 2.78Å; L326-S330 VanDerWaalsContact O-N 3.12Å; D327-S330 PolarHBondContact O-N 3.35Å; D327-S330 PolarHBondContact O-OG 3.37Å; A328-S330 PolarHBondContact O-N 3.28Å
331M92Very high83.7Confident6 Ų652.7 Ų52.73%0.0331%0.312CS..Hα-helixtrans-96.3-26.4-171.1-70.1-170.3-171.300114.4H113 L231 V233 R246 D327 A328 R329H113-M331 HydrophobicContact CB-CB 4.42Å; H113-M331 VanDerWaalsContact CE1-SD 3.57Å; H113-M331 PolarHBondContact ND1-SD 3.12Å; L231-M331 HydrophobicContact CD2-CE 4.14Å; L231-M331 HydrophobicContact CD2-CG 4.47Å; L231-M331 HydrophobicContact CG-CE 4.21Å; V233-M331 HydrophobicContact CB-CE 3.83Å; V233-M331 HydrophobicContact CG2-CE 3.4Å; R246-M331 HydrophobicContact CB-CB 3.97Å; R246-M331 HydrophobicContact CB-CG 3.88Å; R246-M331 HydrophobicContact CB-SD 3.72Å; R246-M331 VanDerWaalsContact CD-O 3.27Å; R246-M331 WeakPolarHBondContact CD-O 3.2Å; R246-M331 HydrophobicContact CG-CB 4.33Å; R246-M331 PolarHBondContact NE-O 2.88Å; D327-M331 HydrophobicContact CB-CE 4.48Å; D327-M331 WeakPolarHBondContact O-CB 3.45Å; D327-M331 WeakPolarHBondContact O-CG 3.16Å; D327-M331 PolarHBondContact O-N 3.01Å; A328-M331 PolarHBondContact O-N 3.02Å; A328-M331 VanDerWaalsContact O-N 3.16Å; R329-M331 VanDerWaalsContact C-N 3.3Å; R329-M331 PolarHBondContact O-N 3.47Å
332T83.3Confident82.3Confident53 Ų5354.6 Ų54.633%0.32532%0.324SS..Hα-helixtrans-101.2-9.4178.445.60000114.1H113 A328 V338H113-T332 HydrophobicContact CB-CG2 3.83Å; A328-T332 PolarHBondContact O-N 2.89Å; A328-T332 PolarHBondContact O-OG1 3.38Å; T332-V338 WeakPolarHBondContact OG1-CG2 3.47Å
333G67.6Low80.7Confident39 Ų3958.8 Ų58.840%0.40235%0.35SS..  trans75.9-168178.800000113.6R329 G335R329-G333 PolarHBondContact O-N 3.37Å; G333-G335 VanDerWaalsContact C-N 3.25Å; G333-G335 PolarHBondContact O-N 2.95Å; G333-G335 VanDerWaalsContact O-N 3.15Å
334S51.5Low78.2Confident142 Ų14261.7 Ų61.799%0.99337%0.373SS*.SBendtrans-83.127.4-17254.30000115.2
335G55.6Low75.6Confident43 Ų4365.7 Ų65.744%0.44341%0.407SS..SBendtrans-125.1161.5-173.500000114.8G333 G337G333-G335 VanDerWaalsContact C-N 3.25Å; G333-G335 PolarHBondContact O-N 2.95Å; G333-G335 VanDerWaalsContact O-N 3.15Å; G335-G337 PolarHBondContact O-N 2.79Å
336Q55.6Low72.6Confident211 Ų21170 Ų7099%0.98644%0.442SS*.THydrogen-bonded Turntrans-43.1129.8177.6-68175.6-14.500111.8
337G71.1Confident69.6Low24 Ų2467.6 Ų67.625%0.24744%0.44CS..THydrogen-bonded Turntrans131.9-20.3178.500000114.5R123 G335R123-G337 PolarHBondContact NH1-O 3.2Å; R123-G337 VanDerWaalsContact NH1-O 3.16Å; R123-G337 PolarHBondContact NH2-O 3.32Å; G335-G337 PolarHBondContact O-N 2.79Å
338V83.8Confident66.7Low14 Ų1473.3 Ų73.39%0.08548%0.478CS..SBendtrans-59.2-56175175.30000110.5R123 Y301 L325 A328 R329 T332R123-V338 PolarHBondContact NH1-O 3.35Å; Y301-V338 WeakPolarHBondContact CE2-O 3.37Å; L325-V338 HydrophobicContact CD1-CG1 3.64Å; A328-V338 HydrophobicContact CB-CG1 4.36Å; R329-V338 HydrophobicContact CG-CG1 3.75Å; R329-V338 HydrophobicContact CG-CG2 4.37Å; T332-V338 WeakPolarHBondContact OG1-CG2 3.47Å
339H84.6Confident64.1Low68 Ų6878.1 Ų78.132%0.31552%0.517SS..SBendtrans-87118.9-178.9-66.3-70.4000109.7T297 D299T297-H339 PolarHBondContact OG1-CE1 3.41Å; D299-H339 HydrophobicContact CB-CB 4.42Å; D299-H339 WeakPolarHBondContact OD2-CA 3.31Å; D299-H339 WeakPolarHBondContact OD2-CB 3.07Å; D299-H339 IonicContact OD2-CE1 3.28Å; D299-H339 IonicContact OD2-CG 3.95Å; D299-H339 IonicContact OD2-ND1 2.74Å; D299-H339 PolarHBondContact OD2-ND1 3.25Å
340L84.4Confident61.5Low24 Ų2475.8 Ų75.813%0.12653%0.526CS..PPolyproline II helixtrans-103.9121.4176.4-54.4174.1000108.4R123 D127 D299 V300R123-L340 HydrophobicContact CG-CD1 4.07Å; D127-L340 HydrophobicContact CB-CD1 4.27Å; D127-L340 HydrophobicContact CB-CD2 3.83Å; D127-L340 VanDerWaalsContact O-CD1 3.32Å; D127-L340 WeakPolarHBondContact O-CD1 3.36Å; D299-L340 WeakPolarHBondContact CB-O 3.24Å; V300-L340 HydrophobicContact CB-CB 4.49Å; V300-L340 HydrophobicContact CG1-CB 3.93Å; V300-L340 WeakPolarHBondContact CG1-O 3.42Å; V300-L340 HydrophobicContact CG2-CB 3.76Å; V300-L340 HydrophobicContact CG2-CD1 4.28Å; V300-L340 HydrophobicContact CG2-CG 4.34Å; V300-L340 PolarHBondContact N-O 3.34Å
341L81Confident59Low141 Ų14178.5 Ų78.574%0.73854%0.542SS*.PPolyproline II helixtrans-69137172.3-66.3175.2000108.3V343L341-V343 PolarHBondContact O-N 2.9Å
342P67.4Low56.8Low39 Ų3986.4 Ų86.425%0.25358%0.579SS.*PPolyproline II helixtrans-52.9136.8168.8-20.931.2000108.4H303 A344H303-P342 WeakPolarHBondContact CD2-CG 3.39Å; P342-A344 PolarHBondContact O-N 3.49Å
343V61.8Low54.8Low131 Ų13189.2 Ų89.279%0.79460%0.598SS**  trans-6979.8167.5-176.60000106.6L341 A345L341-V343 PolarHBondContact O-N 2.9Å; V343-A345 PolarHBondContact O-N 2.93Å; V343-A345 VanDerWaalsContact O-N 3.17Å
344A44.1Very low53.5Low75 Ų7592.8 Ų92.862%0.6261%0.614SS**  trans-61.5117.7168.100000106.4P342 A346P342-A344 PolarHBondContact O-N 3.49Å; A344-A346 PolarHBondContact O-N 2.97Å
345A40.7Very low53.2Low88 Ų8894 Ų9473%0.72761%0.608SS**  trans3576.3154.200000114.3V343 G347V343-A345 PolarHBondContact O-N 2.93Å; V343-A345 VanDerWaalsContact O-N 3.17Å; A345-G347 PolarHBondContact O-N 3.04Å
346A34Very low52.5Low94 Ų9497.9 Ų97.978%0.77762%0.624SS**  trans-6474.814000000105.9A344A344-A346 PolarHBondContact O-N 2.97Å
347G30.7Very low51.8Low43 Ų4392.7 Ų92.744%0.44361%0.608SS.*  trans-52.5147.6161.400000106.7A345 A349A345-G347 PolarHBondContact O-N 3.04Å; G347-A349 PolarHBondContact O-N 2.86Å
348P34.9Very low50.6Low125 Ų125100 Ų10081%0.81264%0.64SS**  trans-49.6128.5165.924.5-31.2000105.7G350P348-G350 PolarHBondContact O-N 3.42Å
349A38.6Very low48.7Very low101 Ų101104 Ų10484%0.83567%0.67SS**  trans-42.3112.7173.300000106.8G347G347-A349 PolarHBondContact O-N 2.86Å
350G37.2Very low46.8Very low56 Ų56109.9 Ų109.958%0.57770%0.699SS**PPolyproline II helixtrans-52.4145-176.800000108.4P348 Q352P348-G350 PolarHBondContact O-N 3.42Å; G350-Q352 PolarHBondContact O-N 2.94Å
351P39.7Very low44.9Very low131 Ų131117.1 Ų117.185%0.85174%0.737SS**PPolyproline II helixtrans-52.8122.2-177.821.5-30.9000108.2
352Q45.9Very low42.8Very low172 Ų172113.4 Ų113.480%0.80473%0.733SS**PPolyproline II helixtrans-51.4136.5172.5-68.4-165.8-46.300107.9G350G350-Q352 PolarHBondContact O-N 2.94Å
353P41.7Very low41.8Very low112 Ų112117.9 Ų117.973%0.72776%0.759SS**PPolyproline II helixtrans-58.1137.6172.826-31.9000107.7L355P353-L355 PolarHBondContact O-N 3.28Å; P353-L355 VanDerWaalsContact O-N 3.1Å
354P39.3Very low40.6Very low115 Ų115120 Ų12075%0.74777%0.765SS**PPolyproline II helixtrans-61.4122.4-178.425.3-31.8000108.3V356P354-V356 PolarHBondContact O-N 3.18Å
355L44.5Very low40.1Very low166 Ų166120.1 Ų120.187%0.86977%0.773SS**  trans-59.5105.1165-76.3162.9000107P353 P357P353-L355 PolarHBondContact O-N 3.28Å; P353-L355 VanDerWaalsContact O-N 3.1Å; L355-P357 VanDerWaalsContact O-CD 3.29Å; L355-P357 WeakPolarHBondContact O-CD 3.35Å
356V41Very low39.8Very low126 Ų126119.4 Ų119.476%0.76477%0.774SS**  trans-69.2116.2171.6-173.60000106.7P354 L358P354-V356 PolarHBondContact O-N 3.18Å; V356-L358 PolarHBondContact O-N 2.84Å
357P41.6Very low40.1Very low101 Ų101118.9 Ų118.966%0.65677%0.77SS**  trans-72.4121.917429.3-28.9000107.6L355 S359L355-P357 VanDerWaalsContact O-CD 3.29Å; L355-P357 WeakPolarHBondContact O-CD 3.35Å; P357-S359 PolarHBondContact O-N 3.1Å
358L45.6Very low40.2Very low177 Ų177127.8 Ų127.893%0.92779%0.79SS**  trans-70.281.3170.7-143.793.9000107.9V356 M360V356-L358 PolarHBondContact O-N 2.84Å; L358-M360 PolarHBondContact O-N 3.11Å
359S43.6Very low40.4Very low100 Ų100127.4 Ų127.470%0.69978%0.78SS**  trans-73.8112173.7-73.90000109.6P357 L361P357-S359 PolarHBondContact O-N 3.1Å; S359-L361 PolarHBondContact O-N 3.32Å
360M46.1Very low40.4Very low190 Ų190127.9 Ų127.994%0.93677%0.773SS**  trans-19.6115157.8-66.4-81.5-137.900114.2L358L358-M360 PolarHBondContact O-N 3.11Å
361L42.8Very low40.3Very low177 Ų177130.8 Ų130.893%0.92778%0.783SS**  trans-103.799.1155.7-103.3132.4000107.9S359S359-L361 PolarHBondContact O-N 3.32Å
362G38.4Very low40.2Very low62 Ų62134 Ų13464%0.63981%0.807SS**  trans-76.4126.3166.800000110.9
363V44.8Very low40Very low134 Ų134132.2 Ų132.281%0.81281%0.807SS**  trans46125.6136.9-166.10000119.4
364L37.5Very low39.9Very low176 Ų176133.2 Ų133.292%0.92181%0.811SS**  trans148.7127.2140.4-79.1160.9000106.2
365G33.2Very low39.9Very low76 Ų76134.2 Ų134.278%0.78482%0.815SS**  cis170.9164.37.300000106.7
366G35.5Very low39.6Very low73 Ų73132.4 Ų132.475%0.75381%0.811SS**  trans9098172.600000113.2
367A39.2Very low39.5Very low83 Ų83132.8 Ų132.869%0.68681%0.814SS**  60.8136.267.900000113.6
368W33.9Very low39.4Very low231 Ų231134.9 Ų134.988%0.87583%0.825SS**  trans83136.5169.8-52.578.8000114.9
369I38.4Very low39Very low117 Ų117131.9 Ų131.960%0.682%0.818SS**  cis-171.6144.1-8.4-117.6-168.8000106.8
370T39Very low38.6Very low110 Ų110134.3 Ų134.368%0.67583%0.827SS**  trans55.5133.814963.20000125.2
371C34.2Very low38Very low117 Ų117129.7 Ų129.779%0.79182%0.818SS**  61.2138.8126.7-64.50000119.3
372C38.8Very low37.5Very low200 Ų200125.4 Ų125.4100%1.35181%0.808SS**  cis-140.1014.3-82.70000109.6

Retrieved 372 of 372 residues in 191.9 ms (Link to these results)

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