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Kynureninase

Catalyzes the cleavage of L-kynurenine (L-Kyn) and L-3-hydroxykynurenine (L-3OHKyn) into anthranilic acid (AA) and 3-hydroxyanthranilic acid (3-OHAA), respectively. Has a preference for the L-3-hydroxy form. Also has cysteine-conjugate-beta-lyase activity.

AlphaFold DB , UniProt , Accession A0A087XHG7, Species POEFO (Poecilia formosa, Amazon molly), Gene KYNU, Length 468 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
1S40.8Very low60Low167 Ų16784.7 Ų84.7100%1.16852%0.524SS*.  0131.7033.60000107.7
2A32Very low62.6Low94 Ų9481.7 Ų81.778%0.77750%0.501SS*.PPolyproline II helixtrans-63.4133.9170.800000108.3T4A2-T4 PolarHBondContact O-N 3.37Å
3P39.7Very low65.1Low108 Ų10880.9 Ų80.970%0.70150%0.501SS*.PPolyproline II helixtrans-60.5130.6176.823.6-30.8000109
4T47.3Very low67.3Low86 Ų8675.9 Ų75.953%0.52847%0.471SS..PPolyproline II helixtrans-59.6151.7170.716.30000109.5A2 M6 D7A2-T4 PolarHBondContact O-N 3.37Å; T4-M6 PolarHBondContact O-N 2.88Å; T4-D7 PolarHBondContact O-N 3.4Å
5P56.1Low69.2Low100 Ų10075 Ų7565%0.64947%0.465SS*.THydrogen-bonded Turntrans-55.8-8.2179.8-23.631.6000116R20P5-R20 PolarHBondContact O-NH2 3Å; P5-R20 VanDerWaalsContact O-NH2 3.11Å
6M56.5Low71Confident101 Ų10172.7 Ų72.750%0.49846%0.455SS..THydrogen-bonded Turntrans-92.7-29.8-176.9-63.8178.3-160.900114.1T4 D8 I9T4-M6 PolarHBondContact O-N 2.88Å; M6-D8 PolarHBondContact O-N 3.31Å; M6-I9 PolarHBondContact O-N 3.49Å
7D57.5Low72.5Confident61 Ų6168.4 Ų68.433%0.32643%0.429SS..THydrogen-bonded Turntrans-70.7-11.4-179.1-89.2-19.2000112.7T4 K43 R364T4-D7 PolarHBondContact O-N 3.4Å; D7-K43 WeakPolarHBondContact OD1-CE 3.48Å; D7-K43 IonicContact OD1-NZ 3.5Å; D7-K43 PolarHBondContact OD1-NZ 3.13Å; D7-K43 IonicContact OD2-NZ 3.62Å; D7-K43 PolarHBondContact OD2-NZ 3.28Å; D7-R364 PolarHBondContact O-NH2 3.17Å
8D74.3Confident73.9Confident69 Ų6964.6 Ų64.637%0.36941%0.405SS..THydrogen-bonded Turntrans-78.9-26178.2-174.826.9000112.6M6 F10 D11 L12 R20M6-D8 PolarHBondContact O-N 3.31Å; D8-F10 PolarHBondContact O-N 2.84Å; D8-D11 PolarHBondContact O-N 3.29Å; D8-L12 WeakPolarHBondContact O-CG 3.37Å; D8-L12 PolarHBondContact O-N 3.1Å; D8-R20 IonicContact OD2-CZ 3.35Å; D8-R20 IonicContact OD2-NH1 3.75Å; D8-R20 PolarHBondContact OD2-NH1 3.26Å; D8-R20 IonicContact OD2-NH2 2.77Å
9I85.8Confident75.2Confident7 Ų767.5 Ų67.54%0.03641%0.411CS..G310 helixtrans-63.8-41.3-170.8-65.4174.2000112.4M6 D11 L12 A17 V21 Y37 F38M6-I9 PolarHBondContact O-N 3.49Å; I9-D11 PolarHBondContact O-N 2.9Å; I9-L12 PolarHBondContact O-N 3.28Å; I9-A17 HydrophobicContact CG2-CB 3.94Å; I9-A17 WeakPolarHBondContact O-CB 3.43Å; I9-V21 HydrophobicContact CD1-CG2 4.03Å; I9-V21 HydrophobicContact CG2-CG2 3.96Å; I9-Y37 HydrophobicContact CD1-CE1 3.8Å; I9-Y37 WeakPolarHBondContact CD1-OH 3.02Å; I9-F38 HydrophobicContact CG2-CE1 3.82Å
10F84.4Confident76.3Confident32 Ų3269 Ų6914%0.1441%0.409CS..G310 helixtrans-77.9-3.7178.8-76.8-107.6000113D8 H41 R364 L368 F449D8-F10 PolarHBondContact O-N 2.84Å; F10-H41 HydrophobicContact CE2-CB 4.37Å; F10-R364 VanDerWaalsContact C-NE 3.33Å; F10-R364 VanDerWaalsContact C-NH2 3.27Å; F10-R364 HydrophobicContact CB-CG 4.3Å; F10-R364 VanDerWaalsContact CB-NE 3.35Å; F10-R364 VanDerWaalsContact CB-NH2 3.35Å; F10-R364 WeakPolarHBondContact O-CG 3.38Å; F10-R364 PolarHBondContact O-NE 2.98Å; F10-L368 HydrophobicContact CB-CD2 4.45Å; F10-L368 HydrophobicContact CD1-CB 4.32Å; F10-L368 HydrophobicContact CD1-CD2 3.42Å; F10-L368 VanDerWaalsContact CD1-CD2 3.42Å; F10-L368 HydrophobicContact CD1-CG 4.49Å; F10-L368 HydrophobicContact CD2-CD2 4.13Å; F10-L368 HydrophobicContact CE1-CD2 3.58Å; F10-L368 HydrophobicContact CE2-CD2 4.24Å; F10-L368 HydrophobicContact CG-CD2 3.72Å; F10-L368 HydrophobicContact CZ-CD2 3.98Å; F10-F449 HydrophobicContact CE1-CE2 4.06Å; F10-F449 AromaticContact CE1-CZ 3.94Å; F10-F449 HydrophobicContact CE1-CZ 3.94Å; F10-F449 HydrophobicContact CZ-CE2 4.2Å; F10-F449 HydrophobicContact CZ-CZ 4.35Å
11D85.8Confident77.3Confident107 Ų10765.7 Ų65.757%0.57239%0.389SS*.G310 helixtrans-98.6-13.1172.6-72.5-35.2000112.4D8 I9 R364D8-D11 PolarHBondContact O-N 3.29Å; I9-D11 PolarHBondContact O-N 2.9Å; D11-R364 VanDerWaalsContact N-NH2 3.15Å; D11-R364 IonicContact OD1-CZ 3.85Å; D11-R364 IonicContact OD1-NE 3.96Å; D11-R364 PolarHBondContact OD1-NE 3.19Å; D11-R364 IonicContact OD1-NH1 3.81Å; D11-R364 PolarHBondContact OD1-NH1 3.06Å; D11-R364 IonicContact OD1-NH2 3.52Å; D11-R364 PolarHBondContact OD1-NH2 3.36Å; D11-R364 IonicContact OD2-CZ 3.51Å; D11-R364 VanDerWaalsContact OD2-CZ 3.23Å; D11-R364 IonicContact OD2-NH1 3.41Å; D11-R364 PolarHBondContact OD2-NH1 2.63Å; D11-R364 IonicContact OD2-NH2 2.85Å; D11-R364 PolarHBondContact OD2-NH2 3.15Å
12L91.3Very high80Confident48 Ų4858.3 Ų58.325%0.25134%0.337SS..SBendtrans-69.9161.7173.7-61.7177.4000111.5D8 I9 A16 A17 R20D8-L12 WeakPolarHBondContact O-CG 3.37Å; D8-L12 PolarHBondContact O-N 3.1Å; I9-L12 PolarHBondContact O-N 3.28Å; L12-A16 HydrophobicContact CB-CB 4.19Å; L12-A17 HydrophobicContact CB-CB 4.22Å; L12-R20 HydrophobicContact CD1-CB 4.49Å
13S94.7Very high83.1Confident72 Ų7258.4 Ų58.450%0.50333%0.333SS..  trans-59.1145.7163.972.20000109.7T15 A16 A17S13-T15 VanDerWaalsContact C-N 3.29Å; S13-T15 PolarHBondContact O-N 2.8Å; S13-A16 WeakPolarHBondContact O-CA 3.29Å; S13-A16 WeakPolarHBondContact O-CB 3.48Å; S13-A16 PolarHBondContact O-N 3.46Å; S13-A16 WeakPolarHBondContact OG-CB 3.29Å; S13-A16 PolarHBondContact OG-N 3.13Å; S13-A17 PolarHBondContact O-N 3.27Å
14P95.8Very high85.9Confident11 Ų1158.7 Ų58.77%0.07133%0.327CS..Hα-helixtrans-54-43.2-175-29.835.7000113.8A16 A17 V18 V367 L368P14-A16 VanDerWaalsContact C-N 3.34Å; P14-A16 PolarHBondContact O-N 3.42Å; P14-A17 WeakPolarHBondContact O-CB 3.37Å; P14-A17 PolarHBondContact O-N 3.24Å; P14-V18 VanDerWaalsContact O-CG2 3.31Å; P14-V18 WeakPolarHBondContact O-CG2 3.24Å; P14-V18 PolarHBondContact O-N 2.97Å; P14-V367 HydrophobicContact CG-CG1 4.15Å; P14-V367 WeakPolarHBondContact CG-O 3.47Å; P14-L368 HydrophobicContact CB-CD1 4.16Å
15T96.4Very high88.2Confident62 Ų6257.7 Ų57.738%0.3832%0.318SS..Hα-helixtrans-61-40.8175.7-56.70000112.6S13 K19 Y375S13-T15 VanDerWaalsContact C-N 3.29Å; S13-T15 PolarHBondContact O-N 2.8Å; T15-K19 HydrophobicContact CG2-CD 4.29Å; T15-K19 WeakPolarHBondContact O-CG 3.43Å; T15-K19 PolarHBondContact O-N 3.12Å; T15-K19 VanDerWaalsContact O-N 3.1Å; T15-Y375 HydrophobicContact CG2-CD2 4.03Å; T15-Y375 HydrophobicContact CG2-CE2 3.93Å
16A97.1Very high90.2Very high38 Ų3856.5 Ų56.531%0.31432%0.324SS..Hα-helixtrans-69.5-39.6178.300000111.5L12 S13 P14 K19 R20L12-A16 HydrophobicContact CB-CB 4.19Å; S13-A16 WeakPolarHBondContact O-CA 3.29Å; S13-A16 WeakPolarHBondContact O-CB 3.48Å; S13-A16 PolarHBondContact O-N 3.46Å; S13-A16 WeakPolarHBondContact OG-CB 3.29Å; S13-A16 PolarHBondContact OG-N 3.13Å; P14-A16 VanDerWaalsContact C-N 3.34Å; P14-A16 PolarHBondContact O-N 3.42Å; A16-K19 PolarHBondContact O-N 3.21Å; A16-R20 VanDerWaalsContact O-CB 3.29Å; A16-R20 WeakPolarHBondContact O-CB 3.5Å; A16-R20 PolarHBondContact O-N 3.12Å
17A97.4Very high92.2Very high0 Ų053 Ų530%031%0.309CS..Hα-helixtrans-58.9-49.7174.300000111.4I9 L12 S13 P14 K19 R20 V21 F38 L368I9-A17 HydrophobicContact CG2-CB 3.94Å; I9-A17 WeakPolarHBondContact O-CB 3.43Å; L12-A17 HydrophobicContact CB-CB 4.22Å; S13-A17 PolarHBondContact O-N 3.27Å; P14-A17 WeakPolarHBondContact O-CB 3.37Å; P14-A17 PolarHBondContact O-N 3.24Å; A17-K19 PolarHBondContact O-N 3.47Å; A17-R20 PolarHBondContact O-N 3.07Å; A17-V21 WeakPolarHBondContact O-CG2 3.44Å; A17-V21 PolarHBondContact O-N 3.33Å; A17-F38 HydrophobicContact CB-CE1 4.37Å; A17-F38 HydrophobicContact CB-CZ 4.27Å; A17-L368 HydrophobicContact CB-CD1 3.53Å
18V97.9Very high94.1Very high0 Ų053 Ų530%031%0.314CS..Hα-helixtrans-58.4-49.9178.2172.30000111.4P14 R20 V21 S22 P29 V34 F38 Y372 Y375P14-V18 VanDerWaalsContact O-CG2 3.31Å; P14-V18 WeakPolarHBondContact O-CG2 3.24Å; P14-V18 PolarHBondContact O-N 2.97Å; V18-R20 VanDerWaalsContact C-N 3.34Å; V18-R20 PolarHBondContact O-N 3.03Å; V18-V21 PolarHBondContact O-N 3.22Å; V18-S22 WeakPolarHBondContact O-CB 3.45Å; V18-S22 PolarHBondContact O-N 3.26Å; V18-P29 HydrophobicContact CG1-CB 3.96Å; V18-P29 WeakPolarHBondContact CG1-O 3.36Å; V18-V34 HydrophobicContact CG1-CG1 4.37Å; V18-F38 HydrophobicContact CG2-CE2 4.01Å; V18-F38 HydrophobicContact CG2-CZ 4.09Å; V18-Y372 HydrophobicContact CG2-CD2 3.61Å; V18-Y372 HydrophobicContact CG2-CE2 4.24Å; V18-Y375 HydrophobicContact CB-CD1 4.42Å; V18-Y375 HydrophobicContact CG1-CD1 3.74Å; V18-Y375 HydrophobicContact CG1-CE1 3.56Å; V18-Y375 HydrophobicContact CG1-CG 4.35Å; V18-Y375 HydrophobicContact CG2-CD1 4.4Å; V18-Y375 HydrophobicContact CG2-CG 4.44Å
19K97.4Very high95.2Very high120 Ų12051.3 Ų51.352%0.52231%0.307SS..Hα-helixtrans-62.6-40179.6-72.9-179.9178.7-174.90112.4T15 A16 A17 S23T15-K19 HydrophobicContact CG2-CD 4.29Å; T15-K19 WeakPolarHBondContact O-CG 3.43Å; T15-K19 PolarHBondContact O-N 3.12Å; T15-K19 VanDerWaalsContact O-N 3.1Å; A16-K19 PolarHBondContact O-N 3.21Å; A17-K19 PolarHBondContact O-N 3.47Å; K19-S23 WeakPolarHBondContact O-CB 3.47Å; K19-S23 PolarHBondContact O-N 3.29Å
20R96.8Very high95.8Very high97 Ų9752 Ų5237%0.36631%0.312SS..Hα-helixtrans-64.5-46.4177.7-178.1171.5176.5170.1-8.4111.5P5 D8 L12 A16 A17 V18 S23 L24P5-R20 PolarHBondContact O-NH2 3Å; P5-R20 VanDerWaalsContact O-NH2 3.11Å; D8-R20 IonicContact OD2-CZ 3.35Å; D8-R20 IonicContact OD2-NH1 3.75Å; D8-R20 PolarHBondContact OD2-NH1 3.26Å; D8-R20 IonicContact OD2-NH2 2.77Å; L12-R20 HydrophobicContact CD1-CB 4.49Å; A16-R20 VanDerWaalsContact O-CB 3.29Å; A16-R20 WeakPolarHBondContact O-CB 3.5Å; A16-R20 PolarHBondContact O-N 3.12Å; A17-R20 PolarHBondContact O-N 3.07Å; V18-R20 VanDerWaalsContact C-N 3.34Å; V18-R20 PolarHBondContact O-N 3.03Å; R20-S23 PolarHBondContact O-N 3.2Å; R20-L24 WeakPolarHBondContact O-CB 3.34Å; R20-L24 PolarHBondContact O-N 3.47Å
21V97.6Very high96.4Very high0 Ų052 Ų520%032%0.316CS..Hα-helixtrans-65-44.9177.8171.60000111.1I9 A17 V18 S23 L24 L25 V34 Y37 F38I9-V21 HydrophobicContact CD1-CG2 4.03Å; I9-V21 HydrophobicContact CG2-CG2 3.96Å; A17-V21 WeakPolarHBondContact O-CG2 3.44Å; A17-V21 PolarHBondContact O-N 3.33Å; V18-V21 PolarHBondContact O-N 3.22Å; V21-S23 VanDerWaalsContact C-N 3.32Å; V21-S23 PolarHBondContact O-N 3.38Å; V21-L24 WeakPolarHBondContact O-CB 3.4Å; V21-L24 PolarHBondContact O-N 2.96Å; V21-L24 VanDerWaalsContact O-N 3.14Å; V21-L25 HydrophobicContact CG1-CD1 3.67Å; V21-L25 HydrophobicContact CG1-CG 4.25Å; V21-L25 WeakPolarHBondContact O-CB 3.19Å; V21-L25 VanDerWaalsContact O-CG 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.21Å; V21-L25 PolarHBondContact O-N 3.4Å; V21-V34 HydrophobicContact CB-CG1 4.36Å; V21-V34 HydrophobicContact CG1-CB 4.38Å; V21-V34 HydrophobicContact CG1-CG1 3.98Å; V21-V34 HydrophobicContact CG1-CG2 4.38Å; V21-Y37 HydrophobicContact CB-CD1 4.23Å; V21-Y37 HydrophobicContact CG1-CD1 3.47Å; V21-Y37 VanDerWaalsContact CG1-CD1 3.47Å; V21-Y37 HydrophobicContact CG1-CD2 4.42Å; V21-Y37 HydrophobicContact CG1-CE1 4.17Å; V21-Y37 HydrophobicContact CG1-CG 3.63Å; V21-Y37 HydrophobicContact CG2-CD1 3.63Å; V21-Y37 HydrophobicContact CG2-CE1 3.62Å; V21-F38 HydrophobicContact CB-CE1 4.4Å; V21-F38 HydrophobicContact CB-CZ 4.39Å; V21-F38 HydrophobicContact CG2-CD1 4.32Å; V21-F38 HydrophobicContact CG2-CE1 3.62Å; V21-F38 HydrophobicContact CG2-CZ 4.05Å
22S98Very high97Very high11 Ų1150 Ų508%0.07730%0.303CS..Hα-helixtrans-57.5-44.2175151.80000112.6V18 L25 G26 C27 P29V18-S22 WeakPolarHBondContact O-CB 3.45Å; V18-S22 PolarHBondContact O-N 3.26Å; S22-L25 PolarHBondContact O-N 2.7Å; S22-G26 PolarHBondContact O-N 2.89Å; S22-C27 PolarHBondContact O-N 2.79Å; S22-C27 VanDerWaalsContact O-N 3.12Å; S22-C27 PolarHBondContact OG-O 3.21Å; S22-P29 VanDerWaalsContact OG-CD 3.3Å; S22-P29 WeakPolarHBondContact OG-CD 3.37Å; S22-P29 WeakPolarHBondContact OG-CG 3.41Å
23S97.6Very high97.4Very high97 Ų9753.8 Ų53.868%0.67832%0.317SS*.Hα-helixtrans-63.9-40.8175.1-175.10000112.4K19 R20 V21 L25 G26K19-S23 WeakPolarHBondContact O-CB 3.47Å; K19-S23 PolarHBondContact O-N 3.29Å; R20-S23 PolarHBondContact O-N 3.2Å; V21-S23 VanDerWaalsContact C-N 3.32Å; V21-S23 PolarHBondContact O-N 3.38Å; S23-L25 VanDerWaalsContact C-N 3.31Å; S23-L25 PolarHBondContact O-N 2.79Å; S23-G26 PolarHBondContact O-N 3.17Å
24L96.9Very high97.5Very high113 Ų11350.3 Ų50.359%0.59229%0.293SS*.Hα-helixtrans-62.6-39.6178.1-178.870.2000111.6R20 V21 Y37R20-L24 WeakPolarHBondContact O-CB 3.34Å; R20-L24 PolarHBondContact O-N 3.47Å; V21-L24 WeakPolarHBondContact O-CB 3.4Å; V21-L24 PolarHBondContact O-N 2.96Å; V21-L24 VanDerWaalsContact O-N 3.14Å; L24-Y37 HydrophobicContact CD2-CE2 3.73Å
25L97.6Very high97.7Very high65 Ų6549.8 Ų49.834%0.3429%0.29SS..Hα-helixtrans-86.1-9.1-177.8-63.5175.8000113.7V21 S22 S23 C27 K33 Y37V21-L25 HydrophobicContact CG1-CD1 3.67Å; V21-L25 HydrophobicContact CG1-CG 4.25Å; V21-L25 WeakPolarHBondContact O-CB 3.19Å; V21-L25 VanDerWaalsContact O-CG 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.21Å; V21-L25 PolarHBondContact O-N 3.4Å; S22-L25 PolarHBondContact O-N 2.7Å; S23-L25 VanDerWaalsContact C-N 3.31Å; S23-L25 PolarHBondContact O-N 2.79Å; L25-C27 VanDerWaalsContact C-N 3.29Å; L25-C27 HydrophobicContact CB-CB 4.48Å; L25-C27 PolarHBondContact O-N 2.81Å; L25-K33 HydrophobicContact CD1-CB 4.2Å; L25-K33 WeakPolarHBondContact CD1-O 3.33Å; L25-Y37 HydrophobicContact CD1-CD2 4.44Å; L25-Y37 HydrophobicContact CD1-CG 4.36Å; L25-Y37 HydrophobicContact CD2-CD2 4.03Å; L25-Y37 HydrophobicContact CG-CD2 4.49Å
26G97.9Very high97.8Very high75 Ų7549 Ų4977%0.77328%0.284SS*.THydrogen-bonded Turntrans60.836.3-174.400000113S22 S23S22-G26 PolarHBondContact O-N 2.89Å; S23-G26 PolarHBondContact O-N 3.17Å
27C98.2Very high97.8Very high27 Ų2748.1 Ų48.118%0.18227%0.272CS..SBendtrans-128.5169.6-177.671.60000112S22 L25 K33S22-C27 PolarHBondContact O-N 2.79Å; S22-C27 VanDerWaalsContact O-N 3.12Å; S22-C27 PolarHBondContact OG-O 3.21Å; L25-C27 VanDerWaalsContact C-N 3.29Å; L25-C27 HydrophobicContact CB-CB 4.48Å; L25-C27 PolarHBondContact O-N 2.81Å; C27-K33 HydrophobicContact CB-CD 4.42Å
28S97.8Very high97.9Very high61 Ų6148.1 Ų48.143%0.42727%0.272SS..  trans-60.3143.2172.91780000111.4T30 S31S28-T30 PolarHBondContact O-N 2.79Å; S28-T30 PolarHBondContact OG-N 3.09Å; S28-T30 PolarHBondContact OG-OG1 3.15Å; S28-S31 WeakPolarHBondContact O-CB 3.23Å; S28-S31 PolarHBondContact O-N 3Å
29P97.2Very high97.9Very high35 Ų3549.1 Ų49.123%0.22728%0.277CS..THydrogen-bonded Turntrans-50.7-25.5168.6-29.537.4000114.9V18 S22 Y375V18-P29 HydrophobicContact CG1-CB 3.96Å; V18-P29 WeakPolarHBondContact CG1-O 3.36Å; S22-P29 VanDerWaalsContact OG-CD 3.3Å; S22-P29 WeakPolarHBondContact OG-CD 3.37Å; S22-P29 WeakPolarHBondContact OG-CG 3.41Å; P29-Y375 HydrophobicContact CB-CE1 3.71Å; P29-Y375 VanDerWaalsContact CB-OH 3.3Å; P29-Y375 WeakPolarHBondContact CB-OH 3.5Å
30T97.7Very high97.9Very high22 Ų2250 Ų5014%0.13528%0.284CS..THydrogen-bonded Turntrans-96.82.7-179.4630000114.2S28 L376 E379 Y380 H453S28-T30 PolarHBondContact O-N 2.79Å; S28-T30 PolarHBondContact OG-N 3.09Å; S28-T30 PolarHBondContact OG-OG1 3.15Å; T30-L376 HydrophobicContact CG2-CD2 3.97Å; T30-E379 HydrophobicContact CG2-CB 4.06Å; T30-E379 HydrophobicContact CG2-CG 4.23Å; T30-Y380 WeakPolarHBondContact CB-OH 3.02Å; T30-Y380 HydrophobicContact CG2-CE2 3.67Å; T30-Y380 PolarHBondContact OG1-OH 3.1Å; T30-H453 PolarHBondContact O-NE2 3.43Å
31S98.1Very high97.9Very high32 Ų3248.5 Ų48.522%0.22428%0.28CS..SBendtrans-68.2142.3179.5-175.40000111.6S28 K33 V34S28-S31 WeakPolarHBondContact O-CB 3.23Å; S28-S31 PolarHBondContact O-N 3Å; S31-K33 PolarHBondContact O-N 3.26Å; S31-K33 VanDerWaalsContact O-N 3.14Å; S31-K33 PolarHBondContact OG-N 3.07Å; S31-V34 WeakPolarHBondContact O-CB 3.21Å; S31-V34 PolarHBondContact O-N 2.98Å
32E98.1Very high97.8Very high65 Ų6549.1 Ų49.130%0.30428%0.284SS..Hα-helixtrans-53.2-32.4171.5-170.4-179.2-176.600111.8V34 A35 D36 R450 H453E32-V34 PolarHBondContact O-N 2.89Å; E32-V34 VanDerWaalsContact O-N 3.08Å; E32-A35 WeakPolarHBondContact O-CA 3.29Å; E32-A35 WeakPolarHBondContact O-CB 3.35Å; E32-A35 PolarHBondContact O-N 3.34Å; E32-D36 PolarHBondContact O-N 2.87Å; E32-R450 IonicContact OE1-CZ 3.51Å; E32-R450 IonicContact OE1-NE 3.21Å; E32-R450 PolarHBondContact OE1-NE 3.09Å; E32-R450 IonicContact OE1-NH2 2.81Å; E32-R450 PolarHBondContact OE1-NH2 2.93Å; E32-H453 PolarHBondContact N-NE2 3.26Å
33K98.4Very high97.8Very high126 Ų12655.3 Ų55.355%0.54831%0.309SS..Hα-helixtrans-56.1-29.2176.9-65.1-175.6176.8-176.60113.7L25 C27 S31 Y37L25-K33 HydrophobicContact CD1-CB 4.2Å; L25-K33 WeakPolarHBondContact CD1-O 3.33Å; C27-K33 HydrophobicContact CB-CD 4.42Å; S31-K33 PolarHBondContact O-N 3.26Å; S31-K33 VanDerWaalsContact O-N 3.14Å; S31-K33 PolarHBondContact OG-N 3.07Å; K33-Y37 WeakPolarHBondContact O-CB 3.34Å; K33-Y37 PolarHBondContact O-N 3.34Å
34V98.5Very high97.8Very high0 Ų051.6 Ų51.60%028%0.282CS..Hα-helixtrans-70-41.3175.7175.80000110.5V18 V21 S31 E32 Y37 F38 Y372V18-V34 HydrophobicContact CG1-CG1 4.37Å; V21-V34 HydrophobicContact CB-CG1 4.36Å; V21-V34 HydrophobicContact CG1-CB 4.38Å; V21-V34 HydrophobicContact CG1-CG1 3.98Å; V21-V34 HydrophobicContact CG1-CG2 4.38Å; S31-V34 WeakPolarHBondContact O-CB 3.21Å; S31-V34 PolarHBondContact O-N 2.98Å; E32-V34 PolarHBondContact O-N 2.89Å; E32-V34 VanDerWaalsContact O-N 3.08Å; V34-Y37 PolarHBondContact O-N 2.64Å; V34-F38 HydrophobicContact CG1-CD2 3.98Å; V34-F38 HydrophobicContact CG1-CE2 3.49Å; V34-F38 VanDerWaalsContact CG1-CE2 3.49Å; V34-F38 HydrophobicContact CG1-CZ 4.12Å; V34-F38 VanDerWaalsContact O-CD2 3.23Å; V34-F38 WeakPolarHBondContact O-CD2 3.24Å; V34-F38 WeakPolarHBondContact O-CG 3.16Å; V34-F38 PolarHBondContact O-N 3.04Å; V34-F38 VanDerWaalsContact O-N 3.11Å; V34-Y372 HydrophobicContact CG1-CE2 4.15Å
35A98.6Very high97.9Very high0 Ų053.2 Ų53.20%028%0.28CS..Hα-helixtrans-64.7-46.5174.900000111.3E32 Y37 F38 D39 Y372 F449 H453E32-A35 WeakPolarHBondContact O-CA 3.29Å; E32-A35 WeakPolarHBondContact O-CB 3.35Å; E32-A35 PolarHBondContact O-N 3.34Å; A35-Y37 VanDerWaalsContact C-N 3.31Å; A35-Y37 PolarHBondContact O-N 3.3Å; A35-F38 PolarHBondContact O-N 3.14Å; A35-F38 VanDerWaalsContact O-N 3.12Å; A35-D39 PolarHBondContact O-N 2.55Å; A35-Y372 HydrophobicContact CB-CE1 3.99Å; A35-F449 HydrophobicContact CB-CB 4.07Å; A35-H453 HydrophobicContact CB-CB 3.98Å
36D98.5Very high97.9Very high46 Ų4654.3 Ų54.325%0.24628%0.283CS..Hα-helixtrans-56.6-45.4176.7-68.9-31.6000111.2E32 F38 D39 E40 R450E32-D36 PolarHBondContact O-N 2.87Å; D36-F38 PolarHBondContact O-N 3.07Å; D36-D39 PolarHBondContact O-N 3.11Å; D36-E40 WeakPolarHBondContact O-CB 3.5Å; D36-E40 VanDerWaalsContact O-CG 3.32Å; D36-E40 WeakPolarHBondContact O-CG 3.49Å; D36-E40 PolarHBondContact O-N 3.44Å; D36-R450 IonicContact OD1-CZ 2.89Å; D36-R450 IonicContact OD1-NE 3.48Å; D36-R450 IonicContact OD1-NH1 3.1Å
37Y98Very high98Very high19 Ų1950.7 Ų50.78%0.07525%0.246CC..Hα-helixtrans-60.2-44.4176.3-179.2-82.2000112.2I9 V21 L24 L25 K33 V34 A35 D39 E40 H41I9-Y37 HydrophobicContact CD1-CE1 3.8Å; I9-Y37 WeakPolarHBondContact CD1-OH 3.02Å; V21-Y37 HydrophobicContact CB-CD1 4.23Å; V21-Y37 HydrophobicContact CG1-CD1 3.47Å; V21-Y37 VanDerWaalsContact CG1-CD1 3.47Å; V21-Y37 HydrophobicContact CG1-CD2 4.42Å; V21-Y37 HydrophobicContact CG1-CE1 4.17Å; V21-Y37 HydrophobicContact CG1-CG 3.63Å; V21-Y37 HydrophobicContact CG2-CD1 3.63Å; V21-Y37 HydrophobicContact CG2-CE1 3.62Å; L24-Y37 HydrophobicContact CD2-CE2 3.73Å; L25-Y37 HydrophobicContact CD1-CD2 4.44Å; L25-Y37 HydrophobicContact CD1-CG 4.36Å; L25-Y37 HydrophobicContact CD2-CD2 4.03Å; L25-Y37 HydrophobicContact CG-CD2 4.49Å; K33-Y37 WeakPolarHBondContact O-CB 3.34Å; K33-Y37 PolarHBondContact O-N 3.34Å; V34-Y37 PolarHBondContact O-N 2.64Å; A35-Y37 VanDerWaalsContact C-N 3.31Å; A35-Y37 PolarHBondContact O-N 3.3Å; Y37-D39 VanDerWaalsContact C-N 3.35Å; Y37-D39 PolarHBondContact O-N 3.49Å; Y37-E40 PolarHBondContact O-N 3.47Å; Y37-H41 AromaticContact CD1-ND1 3.86Å; Y37-H41 AromaticContact CD2-CE1 3.62Å; Y37-H41 AromaticContact CD2-ND1 3.87Å; Y37-H41 AromaticContact CE1-ND1 3.74Å; Y37-H41 AromaticContact CE2-CE1 3.3Å; Y37-H41 WeakPolarHBondContact CE2-CE1 3.43Å; Y37-H41 AromaticContact CE2-ND1 3.8Å; Y37-H41 AromaticContact CE2-NE2 3.88Å; Y37-H41 AromaticContact CG-ND1 3.91Å; Y37-H41 AromaticContact CZ-CE1 3.52Å; Y37-H41 AromaticContact CZ-ND1 3.72Å; Y37-H41 AromaticContact CZ-NE2 3.82Å; Y37-H41 PolarHBondContact O-N 3.37Å; Y37-H41 VanDerWaalsContact O-N 3.15Å; Y37-H41 PolarHBondContact O-ND1 3.07Å
38F98.4Very high98Very high0 Ų052.5 Ų52.50%025%0.249CC..Hα-helixtrans-63.9-39.7177.7-70.7-46.9000112.3I9 A17 V18 V21 V34 A35 D36 H41 D42 L368 Y372 F449I9-F38 HydrophobicContact CG2-CE1 3.82Å; A17-F38 HydrophobicContact CB-CE1 4.37Å; A17-F38 HydrophobicContact CB-CZ 4.27Å; V18-F38 HydrophobicContact CG2-CE2 4.01Å; V18-F38 HydrophobicContact CG2-CZ 4.09Å; V21-F38 HydrophobicContact CB-CE1 4.4Å; V21-F38 HydrophobicContact CB-CZ 4.39Å; V21-F38 HydrophobicContact CG2-CD1 4.32Å; V21-F38 HydrophobicContact CG2-CE1 3.62Å; V21-F38 HydrophobicContact CG2-CZ 4.05Å; V34-F38 HydrophobicContact CG1-CD2 3.98Å; V34-F38 HydrophobicContact CG1-CE2 3.49Å; V34-F38 VanDerWaalsContact CG1-CE2 3.49Å; V34-F38 HydrophobicContact CG1-CZ 4.12Å; V34-F38 VanDerWaalsContact O-CD2 3.23Å; V34-F38 WeakPolarHBondContact O-CD2 3.24Å; V34-F38 WeakPolarHBondContact O-CG 3.16Å; V34-F38 PolarHBondContact O-N 3.04Å; V34-F38 VanDerWaalsContact O-N 3.11Å; A35-F38 PolarHBondContact O-N 3.14Å; A35-F38 VanDerWaalsContact O-N 3.12Å; D36-F38 PolarHBondContact O-N 3.07Å; F38-H41 CarbonylContact O-C 3.59Å; F38-H41 PolarHBondContact O-N 3.21Å; F38-D42 WeakPolarHBondContact O-CB 3.43Å; F38-D42 PolarHBondContact O-N 2.99Å; F38-L368 HydrophobicContact CD1-CD2 3.96Å; F38-L368 HydrophobicContact CE1-CD2 3.85Å; F38-L368 HydrophobicContact CZ-CD1 4.33Å; F38-L368 HydrophobicContact CZ-CD2 4.4Å; F38-Y372 HydrophobicContact CE2-CD2 4.18Å; F38-Y372 HydrophobicContact CE2-CE2 4.45Å; F38-F449 HydrophobicContact CB-CB 3.94Å; F38-F449 HydrophobicContact CB-CD1 3.76Å; F38-F449 HydrophobicContact CB-CD2 3.37Å; F38-F449 HydrophobicContact CB-CE1 4.08Å; F38-F449 HydrophobicContact CB-CE2 3.72Å; F38-F449 HydrophobicContact CB-CG 3.39Å; F38-F449 HydrophobicContact CB-CZ 4.07Å; F38-F449 AromaticContact CD2-CD1 3.68Å; F38-F449 HydrophobicContact CD2-CD1 3.68Å; F38-F449 HydrophobicContact CD2-CE1 4.04Å; F38-F449 HydrophobicContact CD2-CG 4.1Å; F38-F449 AromaticContact CG-CD1 3.99Å; F38-F449 HydrophobicContact CG-CD1 3.99Å; F38-F449 HydrophobicContact CG-CD2 4.4Å; F38-F449 HydrophobicContact CG-CE1 4.13Å; F38-F449 HydrophobicContact CG-CG 4.14Å; F38-F449 HydrophobicContact CG-CZ 4.4Å
39D98.4Very high98Very high20 Ų2055.8 Ų55.811%0.10726%0.258CS..Hα-helixtrans-69.9-35.4177.3-76.8-36.6000113A35 D36 Y37 H41 D42 S448 F449 R450A35-D39 PolarHBondContact O-N 2.55Å; D36-D39 PolarHBondContact O-N 3.11Å; Y37-D39 VanDerWaalsContact C-N 3.35Å; Y37-D39 PolarHBondContact O-N 3.49Å; D39-H41 VanDerWaalsContact C-N 3.25Å; D39-H41 PolarHBondContact O-N 3.49Å; D39-D42 PolarHBondContact O-N 3Å; D39-S448 WeakPolarHBondContact OD1-CA 3.07Å; D39-S448 VanDerWaalsContact OD1-CB 3.27Å; D39-S448 WeakPolarHBondContact OD1-CB 3.15Å; D39-S448 WeakPolarHBondContact OD2-CB 3.5Å; D39-F449 WeakPolarHBondContact OD1-CD2 3.34Å; D39-F449 PolarHBondContact OD1-N 3.22Å; D39-F449 PolarHBondContact OD2-N 3.35Å; D39-R450 VanDerWaalsContact OD2-CB 3.28Å; D39-R450 WeakPolarHBondContact OD2-CB 3.44Å; D39-R450 PolarHBondContact OD2-N 3.16Å
40E97.5Very high98.1Very high140 Ų14056 Ų5665%0.65426%0.257SS*.Hα-helixtrans-64.2-31.3173.7-76.6176.1179.900112.4D36 Y37D36-E40 WeakPolarHBondContact O-CB 3.5Å; D36-E40 VanDerWaalsContact O-CG 3.32Å; D36-E40 WeakPolarHBondContact O-CG 3.49Å; D36-E40 PolarHBondContact O-N 3.44Å; Y37-E40 PolarHBondContact O-N 3.47Å
41H96.3Very high98.1Very high64 Ų6455.3 Ų55.330%0.29625%0.252SS..THydrogen-bonded Turntrans-101.33.4-179.1-63.177.9000113.3F10 Y37 F38 D39 K43F10-H41 HydrophobicContact CE2-CB 4.37Å; Y37-H41 AromaticContact CD1-ND1 3.86Å; Y37-H41 AromaticContact CD2-CE1 3.62Å; Y37-H41 AromaticContact CD2-ND1 3.87Å; Y37-H41 AromaticContact CE1-ND1 3.74Å; Y37-H41 AromaticContact CE2-CE1 3.3Å; Y37-H41 WeakPolarHBondContact CE2-CE1 3.43Å; Y37-H41 AromaticContact CE2-ND1 3.8Å; Y37-H41 AromaticContact CE2-NE2 3.88Å; Y37-H41 AromaticContact CG-ND1 3.91Å; Y37-H41 AromaticContact CZ-CE1 3.52Å; Y37-H41 AromaticContact CZ-ND1 3.72Å; Y37-H41 AromaticContact CZ-NE2 3.82Å; Y37-H41 PolarHBondContact O-N 3.37Å; Y37-H41 VanDerWaalsContact O-N 3.15Å; Y37-H41 PolarHBondContact O-ND1 3.07Å; F38-H41 CarbonylContact O-C 3.59Å; F38-H41 PolarHBondContact O-N 3.21Å; D39-H41 VanDerWaalsContact C-N 3.25Å; D39-H41 PolarHBondContact O-N 3.49Å; H41-K43 PolarHBondContact O-N 3.06Å
42D97.1Very high98.1Very high13 Ų1357.6 Ų57.67%0.0726%0.261CS..  trans-76.8103.8175.9176.122.3000111.2F38 D39 L44 R45 K365F38-D42 WeakPolarHBondContact O-CB 3.43Å; F38-D42 PolarHBondContact O-N 2.99Å; D39-D42 PolarHBondContact O-N 3Å; D42-L44 PolarHBondContact O-N 3.12Å; D42-L44 VanDerWaalsContact O-N 3.1Å; D42-L44 WeakPolarHBondContact OD1-CA 3.29Å; D42-L44 WeakPolarHBondContact OD1-CB 3.29Å; D42-L44 PolarHBondContact OD1-N 3.03Å; D42-R45 HydrophobicContact CB-CB 4.25Å; D42-R45 VanDerWaalsContact O-CB 3.28Å; D42-R45 WeakPolarHBondContact O-CB 3.45Å; D42-R45 PolarHBondContact O-N 3.2Å; D42-R45 VanDerWaalsContact O-N 3.1Å; D42-R45 WeakPolarHBondContact OD2-CA 3.47Å; D42-R45 PolarHBondContact OD2-N 3.23Å; D42-K365 WeakPolarHBondContact OD2-CD 3.35Å; D42-K365 WeakPolarHBondContact OD2-CE 3.49Å; D42-K365 IonicContact OD2-NZ 3.64Å; D42-K365 PolarHBondContact OD2-NZ 2.83Å
43K97.1Very high98.2Very high142 Ų14255.7 Ų55.762%0.61725%0.254SS*.THydrogen-bonded Turntrans-59.8-20175.9-67.7176.4175.1169.60113.2D7 H41 H46D7-K43 WeakPolarHBondContact OD1-CE 3.48Å; D7-K43 IonicContact OD1-NZ 3.5Å; D7-K43 PolarHBondContact OD1-NZ 3.13Å; D7-K43 IonicContact OD2-NZ 3.62Å; D7-K43 PolarHBondContact OD2-NZ 3.28Å; H41-K43 PolarHBondContact O-N 3.06Å; K43-H46 PolarHBondContact O-CE1 2.97Å; K43-H46 PolarHBondContact O-ND1 3.24Å
44L98.1Very high98.1Very high19 Ų1951.8 Ų51.810%0.09924%0.241CC..THydrogen-bonded Turntrans-97.60.7-179.2-54.3-176.9000113.5D42 H46 L47 A357 L362 K365D42-L44 PolarHBondContact O-N 3.12Å; D42-L44 VanDerWaalsContact O-N 3.1Å; D42-L44 WeakPolarHBondContact OD1-CA 3.29Å; D42-L44 WeakPolarHBondContact OD1-CB 3.29Å; D42-L44 PolarHBondContact OD1-N 3.03Å; L44-H46 PolarHBondContact O-N 3.07Å; L44-H46 VanDerWaalsContact O-N 3.11Å; L44-L47 HydrophobicContact CB-CD1 4.04Å; L44-L47 HydrophobicContact CB-CG 4.48Å; L44-L47 HydrophobicContact CD2-CD1 4.2Å; L44-L47 WeakPolarHBondContact O-CB 3.36Å; L44-L47 WeakPolarHBondContact O-CG 3.37Å; L44-L47 PolarHBondContact O-N 3.31Å; L44-A357 HydrophobicContact CD2-CB 4.07Å; L44-L362 HydrophobicContact CD1-CD2 3.95Å; L44-L362 HydrophobicContact CD1-CG 4.44Å; L44-K365 HydrophobicContact CB-CD 4.19Å; L44-K365 HydrophobicContact CD1-CB 4.11Å; L44-K365 HydrophobicContact CD1-CD 4.24Å
45R98Very high98.1Very high146 Ų14655.9 Ų55.955%0.55126%0.259SS*.G310 helixtrans-52.4-38-177.9171.9-178.8142.1-160.1-5.1113.2D42 L47 R48D42-R45 HydrophobicContact CB-CB 4.25Å; D42-R45 VanDerWaalsContact O-CB 3.28Å; D42-R45 WeakPolarHBondContact O-CB 3.45Å; D42-R45 PolarHBondContact O-N 3.2Å; D42-R45 VanDerWaalsContact O-N 3.1Å; D42-R45 WeakPolarHBondContact OD2-CA 3.47Å; D42-R45 PolarHBondContact OD2-N 3.23Å; R45-L47 PolarHBondContact O-N 2.83Å; R45-R48 WeakPolarHBondContact O-CB 3.28Å; R45-R48 PolarHBondContact O-N 3.23Å
46H98.4Very high98.1Very high88 Ų8856.1 Ų56.141%0.40726%0.26SS..G310 helixtrans-62.2-24.6-179.468.4-82.8000113.2K43 L44 R48 E49K43-H46 PolarHBondContact O-CE1 2.97Å; K43-H46 PolarHBondContact O-ND1 3.24Å; L44-H46 PolarHBondContact O-N 3.07Å; L44-H46 VanDerWaalsContact O-N 3.11Å; H46-R48 PolarHBondContact O-N 2.77Å; H46-E49 WeakPolarHBondContact O-CB 3.46Å; H46-E49 PolarHBondContact O-N 3.12Å; H46-E49 VanDerWaalsContact O-N 3.13Å
47L98.8Very high98Very high0 Ų055 Ų550%026%0.258CS..G310 helixtrans-62.4-30.6179.2-61.1-179.2000112.2L44 R45 E49 N50 F51 V353 M356 A357 L362 L445L44-L47 HydrophobicContact CB-CD1 4.04Å; L44-L47 HydrophobicContact CB-CG 4.48Å; L44-L47 HydrophobicContact CD2-CD1 4.2Å; L44-L47 WeakPolarHBondContact O-CB 3.36Å; L44-L47 WeakPolarHBondContact O-CG 3.37Å; L44-L47 PolarHBondContact O-N 3.31Å; R45-L47 PolarHBondContact O-N 2.83Å; L47-E49 PolarHBondContact O-N 3.23Å; L47-E49 VanDerWaalsContact O-N 3.15Å; L47-N50 WeakPolarHBondContact O-CB 3.46Å; L47-N50 PolarHBondContact O-N 3.25Å; L47-N50 PolarHBondContact O-ND2 2.74Å; L47-F51 WeakPolarHBondContact O-CD2 3.24Å; L47-V353 HydrophobicContact CD2-CG1 4.35Å; L47-M356 HydrophobicContact CD2-CB 3.66Å; L47-M356 HydrophobicContact CD2-SD 4.2Å; L47-A357 HydrophobicContact CD1-CB 3.94Å; L47-L362 HydrophobicContact CD1-CD2 4.08Å; L47-L445 CarbonylContact C-O 3.58Å; L47-L445 HydrophobicContact CD1-CD2 3.89Å
48R98.6Very high98Very high65 Ų6559.6 Ų59.625%0.24528%0.284CS..G310 helixtrans-55.9-32.4177.1-173.5176.6-167-102.55.4112.1R45 H46 N50 F51 E72 L445 Y446R45-R48 WeakPolarHBondContact O-CB 3.28Å; R45-R48 PolarHBondContact O-N 3.23Å; H46-R48 PolarHBondContact O-N 2.77Å; R48-N50 PolarHBondContact O-N 2.86Å; R48-N50 VanDerWaalsContact O-N 3.14Å; R48-F51 PolarHBondContact O-N 2.82Å; R48-F51 VanDerWaalsContact O-N 3.12Å; R48-E72 IonicContact CZ-OE2 3.76Å; R48-E72 IonicContact NH1-OE1 2.72Å; R48-E72 IonicContact NH1-OE2 2.7Å; R48-E72 PolarHBondContact NH1-OE2 2.77Å; R48-E72 IonicContact NH2-OE2 3.84Å; R48-E72 PolarHBondContact NH2-OE2 3.21Å; R48-L445 WeakPolarHBondContact CA-O 3.43Å; R48-L445 PolarHBondContact N-O 2.99Å; R48-L445 VanDerWaalsContact N-O 3.11Å; R48-Y446 WeakPolarHBondContact CD-O 3.4Å; R48-Y446 WeakPolarHBondContact CG-O 3.39Å; R48-Y446 PolarHBondContact NE-O 2.93Å; R48-Y446 VanDerWaalsContact NE-O 3.11Å
49E98.3Very high98Very high130 Ų13061 Ų6161%0.60729%0.291SS*.G310 helixtrans-66.6-13.1179.9-58.9179.8-177.900112.9H46 L47 F51 K86H46-E49 WeakPolarHBondContact O-CB 3.46Å; H46-E49 PolarHBondContact O-N 3.12Å; H46-E49 VanDerWaalsContact O-N 3.13Å; L47-E49 PolarHBondContact O-N 3.23Å; L47-E49 VanDerWaalsContact O-N 3.15Å; E49-F51 VanDerWaalsContact C-N 3.34Å; E49-K86 WeakPolarHBondContact O-CD 3.38Å; E49-K86 WeakPolarHBondContact O-CE 3.28Å; E49-K86 PolarHBondContact O-NZ 3.41Å
50N98.7Very high97.9Very high39 Ų3966.1 Ų66.121%0.20933%0.325CS..G310 helixtrans-87.8-0.2176.2-64.3-76.6000113.5L47 R48 P85 K86 V353L47-N50 WeakPolarHBondContact O-CB 3.46Å; L47-N50 PolarHBondContact O-N 3.25Å; L47-N50 PolarHBondContact O-ND2 2.74Å; R48-N50 PolarHBondContact O-N 2.86Å; R48-N50 VanDerWaalsContact O-N 3.14Å; N50-P85 CarbonylContact O-C 3.42Å; N50-P85 WeakPolarHBondContact O-CA 3.17Å; N50-K86 PolarHBondContact O-N 2.95Å; N50-V353 HydrophobicContact CB-CG1 4.14Å; N50-V353 HydrophobicContact CB-CG2 3.68Å
51F98.8Very high97.9Very high7 Ų761.9 Ų61.93%0.03131%0.31CS..BIsolated β-bridgetrans-116.4155-177.8-65.4-86.3000112.6L47 R48 E49 L83 Q84 P85 K86 N284 V353 L445 Y446L47-F51 WeakPolarHBondContact O-CD2 3.24Å; R48-F51 PolarHBondContact O-N 2.82Å; R48-F51 VanDerWaalsContact O-N 3.12Å; E49-F51 VanDerWaalsContact C-N 3.34Å; F51-L83 HydrophobicContact CB-CB 4.29Å; F51-L83 HydrophobicContact CD1-CB 4.03Å; F51-L83 WeakPolarHBondContact CD1-O 3.38Å; F51-Q84 WeakPolarHBondContact CA-O 3.43Å; F51-P85 HydrophobicContact CE1-CB 4.47Å; F51-P85 HydrophobicContact CE1-CG 4.07Å; F51-K86 WeakPolarHBondContact O-CE 3.26Å; F51-N284 HydrophobicContact CE1-CB 3.99Å; F51-V353 HydrophobicContact CE2-CG1 3.74Å; F51-V353 HydrophobicContact CZ-CB 4.4Å; F51-V353 HydrophobicContact CZ-CG1 3.94Å; F51-L445 HydrophobicContact CE2-CB 3.89Å; F51-L445 HydrophobicContact CE2-CD2 4.49Å; F51-L445 HydrophobicContact CZ-CB 4.15Å; F51-L445 HydrophobicContact CZ-CD1 4.06Å; F51-Y446 HydrophobicContact CB-CD1 4.5Å; F51-Y446 AromaticContact CD1-CD1 3.9Å; F51-Y446 HydrophobicContact CD1-CD1 3.9Å; F51-Y446 HydrophobicContact CD1-CE1 4.33Å; F51-Y446 AromaticContact CD2-CD1 3.89Å; F51-Y446 HydrophobicContact CD2-CD1 3.89Å; F51-Y446 HydrophobicContact CD2-CG 4.4Å; F51-Y446 HydrophobicContact CE1-CD1 4.06Å; F51-Y446 HydrophobicContact CE1-CE1 4.33Å; F51-Y446 HydrophobicContact CE2-CD1 4.04Å; F51-Y446 AromaticContact CG-CD1 3.82Å; F51-Y446 HydrophobicContact CG-CD1 3.82Å; F51-Y446 HydrophobicContact CG-CG 4.38Å; F51-Y446 HydrophobicContact CZ-CD1 4.14Å
52L98.6Very high97.9Very high80 Ų8060 Ų6042%0.41930%0.303SS..  trans-95.1106.8170.5-61.8175.5000109.1Q84 K86L52-Q84 HydrophobicContact CD1-CB 4.37Å; L52-Q84 HydrophobicContact CD1-CG 4.16Å; L52-Q84 PolarHBondContact N-O 2.96Å; L52-K86 HydrophobicContact CD2-CG 3.82Å; L52-K86 HydrophobicContact CG-CG 4.08Å
53V98.3Very high98Very high26 Ų2662.2 Ų62.216%0.15832%0.315CS..PPolyproline II helixtrans-92.7124.9176-170.60000109.1E72 L83V53-E72 HydrophobicContact CB-CG 4.36Å; V53-E72 HydrophobicContact CG1-CB 3.96Å; V53-E72 HydrophobicContact CG1-CG 4.26Å; V53-L83 HydrophobicContact CB-CD1 4.41Å; V53-L83 HydrophobicContact CG1-CD1 4.47Å; V53-L83 HydrophobicContact CG2-CD1 3.9Å
54P98.2Very high97.9Very high43 Ų4363.6 Ų63.628%0.27932%0.316SS..PPolyproline II helixtrans-62.3151.2178.2-22.432.8000112.9L59 E72 C73 L83P54-L59 HydrophobicContact CB-CD2 4.14Å; P54-E72 WeakPolarHBondContact O-CA 3.33Å; P54-C73 PolarHBondContact O-N 3.33Å; P54-C73 PolarHBondContact O-SG 3.22Å; P54-L83 HydrophobicContact CG-CD2 4.48Å
55K98.2Very high97.8Very high86 Ų8667.3 Ų67.337%0.37434%0.344SS..BIsolated β-bridgetrans-79.3151.8166.8-60.2-58.5-166.5166.70110.6A57 D58 S70 Q71 E72K55-A57 VanDerWaalsContact C-N 3.26Å; K55-A57 PolarHBondContact O-N 2.97Å; K55-D58 WeakPolarHBondContact CB-OD2 3.45Å; K55-D58 PolarHBondContact O-N 2.87Å; K55-D58 VanDerWaalsContact O-N 3.13Å; K55-S70 WeakPolarHBondContact CD-O 2.83Å; K55-S70 PolarHBondContact NZ-O 3.08Å; K55-S70 VanDerWaalsContact NZ-O 3.09Å; K55-Q71 WeakPolarHBondContact CA-O 2.95Å; K55-E72 HydrophobicContact CD-CG 4.3Å
56I97.9Very high97.7Very high5 Ų564 Ų643%0.02634%0.337CS..G310 helixtrans-56.7-43.4175.7-70.8179000110.6D58 L59 T62 V67 Q71 C73I56-D58 PolarHBondContact O-N 3.48Å; I56-D58 VanDerWaalsContact O-N 3.14Å; I56-L59 PolarHBondContact O-N 3.45Å; I56-T62 HydrophobicContact CG2-CG2 3.61Å; I56-T62 WeakPolarHBondContact O-CB 3.42Å; I56-T62 WeakPolarHBondContact O-CG2 3.41Å; I56-T62 PolarHBondContact O-OG1 3.12Å; I56-V67 HydrophobicContact CG2-CB 4.23Å; I56-V67 HydrophobicContact CG2-CG2 3.49Å; I56-V67 VanDerWaalsContact CG2-CG2 3.49Å; I56-Q71 HydrophobicContact CD1-CB 4Å; I56-Q71 PolarHBondContact N-O 3.13Å; I56-C73 HydrophobicContact CG1-CB 4.07Å
57A96.7Very high97.6Very high24 Ų2461.4 Ų61.420%0.19833%0.327CS..G310 helixtrans-60.5-22179.700000114.8K55 R64 G69K55-A57 VanDerWaalsContact C-N 3.26Å; K55-A57 PolarHBondContact O-N 2.97Å; A57-R64 PolarHBondContact O-NH2 3.37Å; A57-G69 WeakPolarHBondContact CB-O 3.25Å; A57-G69 PolarHBondContact N-O 3.42Å
58D97.8Very high97.5Very high115 Ų11565.4 Ų65.462%0.61535%0.348SS*.G310 helixtrans-93.8-12.1-176.6-59.9-30.5000112.5K55 I56K55-D58 WeakPolarHBondContact CB-OD2 3.45Å; K55-D58 PolarHBondContact O-N 2.87Å; K55-D58 VanDerWaalsContact O-N 3.13Å; I56-D58 PolarHBondContact O-N 3.48Å; I56-D58 VanDerWaalsContact O-N 3.14Å
59L97.6Very high97.3Very high28 Ų2863 Ų6315%0.14734%0.344CS..SBendtrans-71.9126.3173.7-63.7-174.2000109.7P54 I56 P61 T62 C73 A429P54-L59 HydrophobicContact CB-CD2 4.14Å; I56-L59 PolarHBondContact O-N 3.45Å; L59-P61 VanDerWaalsContact C-CD 3.43Å; L59-T62 WeakPolarHBondContact CB-OG1 3.5Å; L59-T62 WeakPolarHBondContact O-CB 3.36Å; L59-T62 PolarHBondContact O-N 2.85Å; L59-T62 PolarHBondContact O-OG1 3.3Å; L59-C73 HydrophobicContact CD1-CB 3.46Å; L59-C73 VanDerWaalsContact CD1-CB 3.46Å; L59-C73 HydrophobicContact CG-CB 4.08Å; L59-A429 HydrophobicContact CD1-CB 4.44Å
60P97.4Very high97.2Very high128 Ų12860.5 Ų60.583%0.83134%0.341SS*.THydrogen-bonded Turntrans-55.8-39.9-176.1-25.933.5000116.6T62P60-T62 VanDerWaalsContact C-N 3.29Å; P60-T62 PolarHBondContact O-N 2.91Å
61P96.7Very high97Very high52 Ų5263 Ų6334%0.33835%0.351SS..THydrogen-bonded Turntrans-83.90.1-176.433.9-36.3000113.9L59 D63 E424 K425L59-P61 VanDerWaalsContact C-CD 3.43Å; P61-D63 PolarHBondContact O-N 2.89Å; P61-E424 HydrophobicContact CB-CB 3.87Å; P61-E424 HydrophobicContact CG-CB 3.66Å; P61-E424 HydrophobicContact CG-CG 4.17Å; P61-K425 WeakPolarHBondContact O-CA 3.44Å
62T97.5Very high97Very high23 Ų2365.5 Ų65.514%0.14136%0.363CS..  trans-62.3132.8-175-66.70000112.7I56 L59 P60 R64 V67I56-T62 HydrophobicContact CG2-CG2 3.61Å; I56-T62 WeakPolarHBondContact O-CB 3.42Å; I56-T62 WeakPolarHBondContact O-CG2 3.41Å; I56-T62 PolarHBondContact O-OG1 3.12Å; L59-T62 WeakPolarHBondContact CB-OG1 3.5Å; L59-T62 WeakPolarHBondContact O-CB 3.36Å; L59-T62 PolarHBondContact O-N 2.85Å; L59-T62 PolarHBondContact O-OG1 3.3Å; P60-T62 VanDerWaalsContact C-N 3.29Å; P60-T62 PolarHBondContact O-N 2.91Å; T62-R64 HydrophobicContact CG2-CG 4.22Å; T62-V67 HydrophobicContact CG2-CG2 3.86Å
63D97.6Very high97Very high61 Ų6161.7 Ų61.733%0.32634%0.343SS..  trans-99.4103.3166-173.7-18.7000109.7P61 S65 L66 V67 K425P61-D63 PolarHBondContact O-N 2.89Å; D63-S65 VanDerWaalsContact CG-OG 3.27Å; D63-S65 PolarHBondContact O-N 3.28Å; D63-S65 VanDerWaalsContact O-N 3.11Å; D63-S65 VanDerWaalsContact OD1-CB 3.29Å; D63-S65 WeakPolarHBondContact OD1-CB 3.45Å; D63-S65 PolarHBondContact OD1-N 2.92Å; D63-S65 PolarHBondContact OD1-OG 3.38Å; D63-S65 PolarHBondContact OD2-OG 3.48Å; D63-L66 HydrophobicContact CB-CD1 3.92Å; D63-L66 HydrophobicContact CB-CG 4.07Å; D63-L66 PolarHBondContact O-N 3.3Å; D63-V67 WeakPolarHBondContact O-CG2 3.3Å; D63-K425 HydrophobicContact CB-CB 4.08Å; D63-K425 HydrophobicContact CB-CG 4.29Å; D63-K425 PolarHBondContact N-O 3.49Å
64R95.3Very high97Very high170 Ų17060.7 Ų60.764%0.64234%0.337SS*.THydrogen-bonded Turntrans-66.6-10.5-177.8-62.3-178.2-178.4-177.4-0.2113.7A57 T62 L66A57-R64 PolarHBondContact O-NH2 3.37Å; T62-R64 HydrophobicContact CG2-CG 4.22Å; R64-L66 VanDerWaalsContact C-N 3.27Å
65S96.7Very high97Very high98 Ų9859.9 Ų59.969%0.68533%0.329SS*.THydrogen-bonded Turntrans-75.7-18.6171.774.20000112.7D63D63-S65 VanDerWaalsContact CG-OG 3.27Å; D63-S65 PolarHBondContact O-N 3.28Å; D63-S65 VanDerWaalsContact O-N 3.11Å; D63-S65 VanDerWaalsContact OD1-CB 3.29Å; D63-S65 WeakPolarHBondContact OD1-CB 3.45Å; D63-S65 PolarHBondContact OD1-N 2.92Å; D63-S65 PolarHBondContact OD1-OG 3.38Å; D63-S65 PolarHBondContact OD2-OG 3.48Å
66L96.7Very high97Very high76 Ų7655.9 Ų55.940%0.39831%0.311SS..THydrogen-bonded Turntrans-99.2-20-176.3-58-179.6000113.6D63 R64 K425 R426D63-L66 HydrophobicContact CB-CD1 3.92Å; D63-L66 HydrophobicContact CB-CG 4.07Å; D63-L66 PolarHBondContact O-N 3.3Å; R64-L66 VanDerWaalsContact C-N 3.27Å; L66-K425 HydrophobicContact CD1-CB 4.22Å; L66-R426 HydrophobicContact CB-CG 4.33Å; L66-R426 HydrophobicContact CD1-CG 4.3Å
67V96.4Very high97Very high34 Ų3456.4 Ų56.421%0.20632%0.315CS..SBendtrans-146.6151-168.5-69.80000112.9I56 T62 D63 G69 R426I56-V67 HydrophobicContact CG2-CB 4.23Å; I56-V67 HydrophobicContact CG2-CG2 3.49Å; I56-V67 VanDerWaalsContact CG2-CG2 3.49Å; T62-V67 HydrophobicContact CG2-CG2 3.86Å; D63-V67 WeakPolarHBondContact O-CG2 3.3Å; V67-G69 PolarHBondContact O-N 2.83Å; V67-R426 HydrophobicContact CG1-CB 3.95Å; V67-R426 HydrophobicContact CG1-CG 4.18Å
68D95.3Very high97.1Very high83 Ų8355.2 Ų55.244%0.44431%0.306SS..  trans-73.2106.4170.5174.86.8000110.4S70 Q71D68-S70 VanDerWaalsContact CG-OG 3.29Å; D68-S70 PolarHBondContact O-N 3.12Å; D68-S70 WeakPolarHBondContact OD1-CB 3.35Å; D68-S70 PolarHBondContact OD1-N 3.43Å; D68-S70 PolarHBondContact OD1-OG 3.31Å; D68-S70 PolarHBondContact OD2-OG 3.14Å; D68-Q71 HydrophobicContact CB-CG 4.22Å; D68-Q71 PolarHBondContact O-N 3.38Å; D68-Q71 PolarHBondContact OD2-NE2 2.81Å
69G94.1Very high97.1Very high14 Ų1449.8 Ų49.814%0.14428%0.276CS..THydrogen-bonded Turntrans-64.8-17-177.600000115.4A57 V67 Q71A57-G69 WeakPolarHBondContact CB-O 3.25Å; A57-G69 PolarHBondContact N-O 3.42Å; V67-G69 PolarHBondContact O-N 2.83Å; G69-Q71 VanDerWaalsContact C-N 3.3Å; G69-Q71 PolarHBondContact O-N 3.49Å
70S96.1Very high97.1Very high79 Ų7949.9 Ų49.955%0.55228%0.279SS*.THydrogen-bonded Turntrans-76.4-18.1-178.173.40000113.7K55 D68K55-S70 WeakPolarHBondContact CD-O 2.83Å; K55-S70 PolarHBondContact NZ-O 3.08Å; K55-S70 VanDerWaalsContact NZ-O 3.09Å; D68-S70 VanDerWaalsContact CG-OG 3.29Å; D68-S70 PolarHBondContact O-N 3.12Å; D68-S70 WeakPolarHBondContact OD1-CB 3.35Å; D68-S70 PolarHBondContact OD1-N 3.43Å; D68-S70 PolarHBondContact OD1-OG 3.31Å; D68-S70 PolarHBondContact OD2-OG 3.14Å
71Q95.9Very high97.2Very high91 Ų9147 Ų4743%0.42526%0.257SS..SBendtrans-75.3157.5179.3-59.7-173.20.200111.8K55 I56 D68 G69K55-Q71 WeakPolarHBondContact CA-O 2.95Å; I56-Q71 HydrophobicContact CD1-CB 4Å; I56-Q71 PolarHBondContact N-O 3.13Å; D68-Q71 HydrophobicContact CB-CG 4.22Å; D68-Q71 PolarHBondContact O-N 3.38Å; D68-Q71 PolarHBondContact OD2-NE2 2.81Å; G69-Q71 VanDerWaalsContact C-N 3.3Å; G69-Q71 PolarHBondContact O-N 3.49Å
72E97.6Very high97.3Very high59 Ų5944.9 Ų44.928%0.27624%0.244SC..BIsolated β-bridgetrans-68143.1168.2-68.3177.2149.600110.5R48 V53 P54 K55 R454R48-E72 IonicContact CZ-OE2 3.76Å; R48-E72 IonicContact NH1-OE1 2.72Å; R48-E72 IonicContact NH1-OE2 2.7Å; R48-E72 PolarHBondContact NH1-OE2 2.77Å; R48-E72 IonicContact NH2-OE2 3.84Å; R48-E72 PolarHBondContact NH2-OE2 3.21Å; V53-E72 HydrophobicContact CB-CG 4.36Å; V53-E72 HydrophobicContact CG1-CB 3.96Å; V53-E72 HydrophobicContact CG1-CG 4.26Å; P54-E72 WeakPolarHBondContact O-CA 3.33Å; K55-E72 HydrophobicContact CD-CG 4.3Å; E72-R454 PolarHBondContact O-NH1 2.84Å; E72-R454 PolarHBondContact O-NH2 3.19Å
73C98.2Very high97.3Very high1 Ų144.2 Ų44.21%0.00724%0.24CC..PPolyproline II helixtrans-69161.4176.576.90000112P54 I56 L59 Y75 G427P54-C73 PolarHBondContact O-N 3.33Å; P54-C73 PolarHBondContact O-SG 3.22Å; I56-C73 HydrophobicContact CG1-CB 4.07Å; L59-C73 HydrophobicContact CD1-CB 3.46Å; L59-C73 VanDerWaalsContact CD1-CB 3.46Å; L59-C73 HydrophobicContact CG-CB 4.08Å; C73-Y75 PolarHBondContact O-N 2.87Å; C73-G427 WeakPolarHBondContact CB-O 3.37Å
74I98.6Very high97.4Very high4 Ų445.6 Ų45.62%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-88.792.3172.4-61.1165.7000106.7L76 G427 V428 A429 R454 F455I74-L76 HydrophobicContact CG2-CD1 3.61Å; I74-L76 HydrophobicContact CG2-CG 3.83Å; I74-L76 PolarHBondContact O-N 3.37Å; I74-G427 PolarHBondContact N-O 3.04Å; I74-V428 HydrophobicContact CB-CG2 4.14Å; I74-V428 HydrophobicContact CD1-CG2 4.02Å; I74-V428 HydrophobicContact CG2-CG1 4.33Å; I74-V428 HydrophobicContact CG2-CG2 4.45Å; I74-V428 WeakPolarHBondContact O-CA 3.32Å; I74-A429 PolarHBondContact O-N 2.91Å; I74-R454 HydrophobicContact CD1-CB 3.75Å; I74-R454 HydrophobicContact CG1-CB 4.28Å; I74-F455 HydrophobicContact CG2-CB 4.01Å
75Y98.6Very high97.5Very high27 Ų2737.6 Ų37.611%0.10621%0.214CC..EExtended strand (participates in β ladder)trans-90.699.9-176.1-162.4-91.1000111.8C73 C77 L81 L83 A429 Y446 N447C73-Y75 PolarHBondContact O-N 2.87Å; Y75-C77 HydrophobicContact CE1-CB 4.23Å; Y75-L81 WeakPolarHBondContact CE1-O 3.5Å; Y75-L81 PolarHBondContact OH-O 3.18Å; Y75-L83 HydrophobicContact CD1-CD1 4.26Å; Y75-L83 HydrophobicContact CD1-CD2 3.62Å; Y75-L83 HydrophobicContact CD1-CG 3.73Å; Y75-L83 HydrophobicContact CD2-CD2 3.86Å; Y75-L83 HydrophobicContact CE1-CD2 3.65Å; Y75-L83 HydrophobicContact CE1-CG 3.91Å; Y75-L83 HydrophobicContact CE2-CD2 3.9Å; Y75-L83 HydrophobicContact CG-CD1 4.45Å; Y75-L83 HydrophobicContact CG-CD2 3.73Å; Y75-L83 HydrophobicContact CG-CG 4.2Å; Y75-A429 HydrophobicContact CD2-CB 3.55Å; Y75-A429 HydrophobicContact CE2-CB 3.9Å; Y75-A429 HydrophobicContact CG-CB 4.35Å; Y75-Y446 HydrophobicContact CD1-CE2 4.1Å; Y75-N447 PolarHBondContact O-ND2 3.27Å; Y75-N447 PolarHBondContact O-OD1 3.07Å
76L98.6Very high97.6Very high1 Ų138.1 Ų38.11%0.00520%0.204CC..  trans-11829.2-177.1-59.8173.3000112I74 A429 I440 A441 P442 F455I74-L76 HydrophobicContact CG2-CD1 3.61Å; I74-L76 HydrophobicContact CG2-CG 3.83Å; I74-L76 PolarHBondContact O-N 3.37Å; L76-A429 CarbonylContact C-O 3.54Å; L76-A429 PolarHBondContact N-O 3.36Å; L76-I440 HydrophobicContact CB-CG2 3.98Å; L76-I440 HydrophobicContact CD1-CG2 3.6Å; L76-I440 HydrophobicContact CG-CG2 4.27Å; L76-A441 PolarHBondContact O-N 3.31Å; L76-P442 HydrophobicContact CD2-CB 3.79Å; L76-F455 HydrophobicContact CD1-CB 3.84Å; L76-F455 HydrophobicContact CD1-CD1 4.28Å; L76-F455 HydrophobicContact CD1-CD2 3.54Å; L76-F455 HydrophobicContact CD1-CE2 4.18Å; L76-F455 HydrophobicContact CD1-CG 3.59Å
77C97.6Very high97.7Very high16 Ų1637.1 Ų37.111%0.10820%0.199CC..BIsolated β-bridgetrans-117.816.4-175.4-160.20000113.1Y75 N79 S80 L81Y75-C77 HydrophobicContact CE1-CB 4.23Å; C77-N79 PolarHBondContact O-N 3.23Å; C77-N79 VanDerWaalsContact O-N 3.15Å; C77-N79 PolarHBondContact O-OD1 2.94Å; C77-S80 PolarHBondContact O-N 2.81Å; C77-L81 PolarHBondContact O-N 3.05Å
78G98.4Very high97.8Very high0 Ų035.7 Ų35.70%019%0.191CC..THydrogen-bonded Turntrans-60.7-22.8179.900000114.7S80 L81 K281 Y282 Y446G78-S80 PolarHBondContact O-N 3.46Å; G78-L81 WeakPolarHBondContact CA-O 3.35Å; G78-K281 CarbonylContact O-C 3.46Å; G78-Y282 PolarHBondContact O-N 3.02Å; G78-Y446 WeakPolarHBondContact CA-OH 3.38Å
79N98.3Very high98Very high0 Ų039.2 Ų39.20%020%0.198CC..THydrogen-bonded Turntrans-70.1-11.8172.465.4-37.4000113.7C77 H258 K281 Y282 Q407 A441C77-N79 PolarHBondContact O-N 3.23Å; C77-N79 VanDerWaalsContact O-N 3.15Å; C77-N79 PolarHBondContact O-OD1 2.94Å; N79-H258 PolarHBondContact O-CE1 3.46Å; N79-H258 PolarHBondContact O-ND1 3.1Å; N79-K281 VanDerWaalsContact O-CD 3.29Å; N79-K281 WeakPolarHBondContact O-CD 3.23Å; N79-K281 WeakPolarHBondContact O-CG 3.21Å; N79-Y282 HydrophobicContact CB-CE1 3.95Å; N79-Y282 HydrophobicContact CB-CE2 3.98Å; N79-Y282 VanDerWaalsContact CB-CZ 3.44Å; N79-Y282 WeakPolarHBondContact CB-OH 3.24Å; N79-Q407 PolarHBondContact ND2-OE1 3Å; N79-A441 HydrophobicContact CB-CB 3.65Å; N79-A441 VanDerWaalsContact CG-CB 3.48Å
80S97.8Very high98.2Very high30 Ų3043.7 Ų43.721%0.2121%0.214CC..THydrogen-bonded Turntrans-113.7-50.1-179.9-162.80000111C77 G78 Y280C77-S80 PolarHBondContact O-N 2.81Å; G78-S80 PolarHBondContact O-N 3.46Å; S80-Y280 WeakPolarHBondContact O-CD2 3.2Å
81L98.6Very high98.3Very high68 Ų6841 Ų4136%0.35619%0.191SC..SBendtrans-138.6118.3171.7-177.563.2000108.6Y75 C77 G78 Y280 A287Y75-L81 WeakPolarHBondContact CE1-O 3.5Å; Y75-L81 PolarHBondContact OH-O 3.18Å; C77-L81 PolarHBondContact O-N 3.05Å; G78-L81 WeakPolarHBondContact CA-O 3.35Å; L81-Y280 WeakPolarHBondContact CA-O 3.44Å; L81-A287 HydrophobicContact CD1-CB 4.15Å
82G98.8Very high98.4Very high7 Ų739.2 Ų39.27%0.07218%0.184CC..PPolyproline II helixtrans-68.8150.8176.300000112.5Y280 K281 N284G82-Y280 PolarHBondContact N-O 2.56Å; G82-K281 VanDerWaalsContact CA-O 3.26Å; G82-K281 WeakPolarHBondContact CA-O 3.34Å; G82-K281 PolarHBondContact N-O 2.66Å; G82-N284 WeakPolarHBondContact CA-OD1 3.4Å
83L98.8Very high98.5Very high9 Ų940.9 Ų40.95%0.04719%0.192CC..PPolyproline II helixtrans-66.2148.5174.2-72-174.8000111.2F51 V53 P54 Y75 P85 N284 Y446F51-L83 HydrophobicContact CB-CB 4.29Å; F51-L83 HydrophobicContact CD1-CB 4.03Å; F51-L83 WeakPolarHBondContact CD1-O 3.38Å; V53-L83 HydrophobicContact CB-CD1 4.41Å; V53-L83 HydrophobicContact CG1-CD1 4.47Å; V53-L83 HydrophobicContact CG2-CD1 3.9Å; P54-L83 HydrophobicContact CG-CD2 4.48Å; Y75-L83 HydrophobicContact CD1-CD1 4.26Å; Y75-L83 HydrophobicContact CD1-CD2 3.62Å; Y75-L83 HydrophobicContact CD1-CG 3.73Å; Y75-L83 HydrophobicContact CD2-CD2 3.86Å; Y75-L83 HydrophobicContact CE1-CD2 3.65Å; Y75-L83 HydrophobicContact CE1-CG 3.91Å; Y75-L83 HydrophobicContact CE2-CD2 3.9Å; Y75-L83 HydrophobicContact CG-CD1 4.45Å; Y75-L83 HydrophobicContact CG-CD2 3.73Å; Y75-L83 HydrophobicContact CG-CG 4.2Å; L83-P85 WeakPolarHBondContact O-CD 3.41Å; L83-N284 WeakPolarHBondContact O-CB 3.2Å; L83-Y446 HydrophobicContact CB-CD1 4.24Å; L83-Y446 HydrophobicContact CB-CE1 3.92Å; L83-Y446 HydrophobicContact CB-CE2 4.39Å; L83-Y446 HydrophobicContact CD1-CD1 4.31Å; L83-Y446 HydrophobicContact CD1-CD2 3.51Å; L83-Y446 HydrophobicContact CD1-CE1 4.42Å; L83-Y446 HydrophobicContact CD1-CE2 3.63Å; L83-Y446 HydrophobicContact CD1-CG 3.85Å; L83-Y446 HydrophobicContact CG-CD2 4.14Å; L83-Y446 HydrophobicContact CG-CE1 4.2Å; L83-Y446 HydrophobicContact CG-CE2 3.75Å; L83-Y446 HydrophobicContact CG-CG 4.49Å; L83-Y446 PolarHBondContact N-OH 2.91Å
84Q98.8Very high98.5Very high90 Ų9043.4 Ų43.442%0.42120%0.204SC..PPolyproline II helixtrans-68.9125.2-178.6-179.1178.56.800111.6F51 L52 A88F51-Q84 WeakPolarHBondContact CA-O 3.43Å; L52-Q84 HydrophobicContact CD1-CB 4.37Å; L52-Q84 HydrophobicContact CD1-CG 4.16Å; L52-Q84 PolarHBondContact N-O 2.96Å; Q84-A88 HydrophobicContact CG-CB 4.24Å
85P98.8Very high98.5Very high3 Ų343.3 Ų43.32%0.01920%0.204CC..BIsolated β-bridgetrans-66137.7167.3-17.330.2000111N50 F51 L83 N87 A88 N284 A349N50-P85 CarbonylContact O-C 3.42Å; N50-P85 WeakPolarHBondContact O-CA 3.17Å; F51-P85 HydrophobicContact CE1-CB 4.47Å; F51-P85 HydrophobicContact CE1-CG 4.07Å; L83-P85 WeakPolarHBondContact O-CD 3.41Å; P85-N87 VanDerWaalsContact C-N 3.26Å; P85-N87 PolarHBondContact O-N 3.16Å; P85-A88 VanDerWaalsContact O-CB 3.22Å; P85-A88 WeakPolarHBondContact O-CB 3.44Å; P85-A88 PolarHBondContact O-N 3.49Å; P85-N284 WeakPolarHBondContact CD-O 3.16Å; P85-N284 HydrophobicContact CG-CB 4.14Å; P85-A349 HydrophobicContact CB-CB 4.18Å
86K98.7Very high98.5Very high108 Ų10845.8 Ų45.847%0.4722%0.218SC..THydrogen-bonded Turntrans-57.9-36.7-177-74.4-177.2179.1173.50113.1E49 N50 F51 L52 A88E49-K86 WeakPolarHBondContact O-CD 3.38Å; E49-K86 WeakPolarHBondContact O-CE 3.28Å; E49-K86 PolarHBondContact O-NZ 3.41Å; N50-K86 PolarHBondContact O-N 2.95Å; F51-K86 WeakPolarHBondContact O-CE 3.26Å; L52-K86 HydrophobicContact CD2-CG 3.82Å; L52-K86 HydrophobicContact CG-CG 4.08Å; K86-A88 PolarHBondContact O-N 3.05Å
87N98.5Very high98.5Very high56 Ų5650.9 Ų50.930%0.29925%0.245SC..Hα-helixtrans-72.8-13-179.8-73.2-11.9000113.9P85 R89 K90 Y91 A349P85-N87 VanDerWaalsContact C-N 3.26Å; P85-N87 PolarHBondContact O-N 3.16Å; N87-R89 VanDerWaalsContact C-N 3.29Å; N87-R89 PolarHBondContact O-N 2.89Å; N87-K90 PolarHBondContact O-N 2.93Å; N87-Y91 HydrophobicContact CB-CE1 4.37Å; N87-Y91 HydrophobicContact CB-CE2 4.44Å; N87-Y91 PolarHBondContact O-N 2.91Å; N87-A349 HydrophobicContact CB-CB 3.92Å
88A98.6Very high98.5Very high3 Ų351.9 Ų51.93%0.02525%0.249CC..Hα-helixtrans-58.1-41.3-177.900000112.4Q84 P85 K86 L92 P346 A349Q84-A88 HydrophobicContact CG-CB 4.24Å; P85-A88 VanDerWaalsContact O-CB 3.22Å; P85-A88 WeakPolarHBondContact O-CB 3.44Å; P85-A88 PolarHBondContact O-N 3.49Å; K86-A88 PolarHBondContact O-N 3.05Å; A88-L92 WeakPolarHBondContact O-CG 3.5Å; A88-L92 PolarHBondContact O-N 3.14Å; A88-L92 VanDerWaalsContact O-N 3.15Å; A88-P346 HydrophobicContact CB-CB 4.04Å; A88-A349 HydrophobicContact CB-CB 4.25Å
89R98.5Very high98.5Very high158 Ų15859.6 Ų59.660%0.59628%0.279SS*.Hα-helixtrans-63.2-50.2176.8178.7-174.7-66.1-125.60.9111.3N87 Y91 L92 E93N87-R89 VanDerWaalsContact C-N 3.29Å; N87-R89 PolarHBondContact O-N 2.89Å; R89-Y91 VanDerWaalsContact C-N 3.29Å; R89-Y91 PolarHBondContact O-N 2.8Å; R89-L92 WeakPolarHBondContact O-CB 3.43Å; R89-L92 PolarHBondContact O-N 3.34Å; R89-E93 WeakPolarHBondContact CD-OE1 3.38Å; R89-E93 HydrophobicContact CG-CG 4.33Å; R89-E93 VanDerWaalsContact CG-OE1 3.28Å; R89-E93 WeakPolarHBondContact CG-OE1 3.43Å; R89-E93 WeakPolarHBondContact O-CG 3.38Å; R89-E93 PolarHBondContact O-N 3.22Å
90K98.5Very high98.6Very high108 Ų10863.9 Ų63.947%0.4731%0.314SS..Hα-helixtrans-55-46.2179.8176.4-175.1167.4-175.10111.2N87 E93 E94N87-K90 PolarHBondContact O-N 2.93Å; K90-E93 PolarHBondContact O-N 2.8Å; K90-E94 WeakPolarHBondContact CE-OE1 3.37Å; K90-E94 IonicContact NZ-OE1 2.83Å; K90-E94 WeakPolarHBondContact O-CG 3.46Å; K90-E94 PolarHBondContact O-N 3.29Å
91Y98.5Very high98.6Very high21 Ų2171.1 Ų71.18%0.08234%0.342CS..Hα-helixtrans-69.5-35.7-177.7-67.4-2.1000112.3N87 R89 E95 R112 C345 Q348 A349 E352N87-Y91 HydrophobicContact CB-CE1 4.37Å; N87-Y91 HydrophobicContact CB-CE2 4.44Å; N87-Y91 PolarHBondContact O-N 2.91Å; R89-Y91 VanDerWaalsContact C-N 3.29Å; R89-Y91 PolarHBondContact O-N 2.8Å; Y91-E95 PolarHBondContact O-N 2.83Å; Y91-R112 VanDerWaalsContact CE1-NH2 3.29Å; Y91-C345 PolarHBondContact O-SG 3.41Å; Y91-Q348 HydrophobicContact CD2-CB 4.42Å; Y91-Q348 HydrophobicContact CD2-CG 4.44Å; Y91-Q348 HydrophobicContact CE2-CG 4.13Å; Y91-A349 HydrophobicContact CD2-CB 3.92Å; Y91-A349 HydrophobicContact CE2-CB 4.1Å; Y91-E352 WeakPolarHBondContact CE2-OE1 3.45Å; Y91-E352 WeakPolarHBondContact CE2-OE2 3.39Å; Y91-E352 PolarHBondContact OH-OE1 2.8Å; Y91-E352 VanDerWaalsContact OH-OE1 3.05Å; Y91-E352 PolarHBondContact OH-OE2 3.28Å
92L98.6Very high98.6Very high54 Ų5470.1 Ų70.128%0.28334%0.336SS..Hα-helixtrans-63-46.7170.9-75.3166.4000111.6A88 R89 E94 E95 L96 L342 C345A88-L92 WeakPolarHBondContact O-CG 3.5Å; A88-L92 PolarHBondContact O-N 3.14Å; A88-L92 VanDerWaalsContact O-N 3.15Å; R89-L92 WeakPolarHBondContact O-CB 3.43Å; R89-L92 PolarHBondContact O-N 3.34Å; L92-E94 PolarHBondContact O-N 3.34Å; L92-E95 PolarHBondContact O-N 3.3Å; L92-L96 WeakPolarHBondContact O-CB 3.12Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 3.44Å; L92-L342 HydrophobicContact CD2-CB 4.04Å; L92-L342 HydrophobicContact CD2-CD2 4.04Å; L92-L342 WeakPolarHBondContact CD2-O 3.46Å; L92-C345 HydrophobicContact CD2-CB 3.98Å; L92-C345 HydrophobicContact CG-CB 4.04Å
93E98.7Very high98.6Very high95 Ų9572 Ų7244%0.44435%0.351SS..Hα-helixtrans-59.7-44.1178-73168.917500111.4R89 K90 E95 L96 D97R89-E93 WeakPolarHBondContact CD-OE1 3.38Å; R89-E93 HydrophobicContact CG-CG 4.33Å; R89-E93 VanDerWaalsContact CG-OE1 3.28Å; R89-E93 WeakPolarHBondContact CG-OE1 3.43Å; R89-E93 WeakPolarHBondContact O-CG 3.38Å; R89-E93 PolarHBondContact O-N 3.22Å; K90-E93 PolarHBondContact O-N 2.8Å; E93-E95 PolarHBondContact O-N 3.15Å; E93-L96 PolarHBondContact O-N 3.23Å; E93-D97 WeakPolarHBondContact O-CB 3.48Å; E93-D97 VanDerWaalsContact O-CG 3.29Å; E93-D97 PolarHBondContact O-N 3.09Å
94E98.4Very high98.5Very high54 Ų5477 Ų7725%0.25238%0.377SS..Hα-helixtrans-55.9-45.8175.3-75.1171-175.100112.6K90 L92 N98 R112K90-E94 WeakPolarHBondContact CE-OE1 3.37Å; K90-E94 IonicContact NZ-OE1 2.83Å; K90-E94 WeakPolarHBondContact O-CG 3.46Å; K90-E94 PolarHBondContact O-N 3.29Å; L92-E94 PolarHBondContact O-N 3.34Å; E94-N98 VanDerWaalsContact O-CG 3.23Å; E94-N98 PolarHBondContact O-N 3.28Å; E94-N98 PolarHBondContact O-ND2 2.88Å; E94-R112 IonicContact OE2-CZ 2.7Å; E94-R112 IonicContact OE2-NH1 3.15Å; E94-R112 PolarHBondContact OE2-NH1 2.93Å; E94-R112 IonicContact OE2-NH2 2.64Å; E94-R112 PolarHBondContact OE2-NH2 3.01Å
95E98.5Very high98.5Very high2 Ų278.5 Ų78.51%0.00938%0.384CS..Hα-helixtrans-77.7-29.8-179-60.5-50.614400113.2Y91 L92 E93 N98 W99 R112 W114 I341 C345Y91-E95 PolarHBondContact O-N 2.83Å; L92-E95 PolarHBondContact O-N 3.3Å; E93-E95 PolarHBondContact O-N 3.15Å; E95-N98 PolarHBondContact OE2-ND2 3.09Å; E95-W99 WeakPolarHBondContact O-CB 3.44Å; E95-W99 PolarHBondContact O-N 3.21Å; E95-R112 WeakPolarHBondContact OE1-CD 3.35Å; E95-R112 IonicContact OE1-CZ 3.4Å; E95-R112 IonicContact OE1-NH1 3.8Å; E95-R112 PolarHBondContact OE1-NH1 3.44Å; E95-W114 PolarHBondContact OE2-NE1 3.23Å; E95-I341 HydrophobicContact CB-CG1 4.28Å; E95-I341 HydrophobicContact CG-CD1 4.42Å; E95-I341 HydrophobicContact CG-CG1 3.84Å; E95-C345 WeakPolarHBondContact CG-SG 3.47Å
96L98.7Very high98.4Very high78 Ų7878.4 Ų78.441%0.40838%0.383SS..Hα-helixtrans-66.1-41.3170.5-70.6173.6000111.2L92 E93 W99 A100 L342L92-L96 WeakPolarHBondContact O-CB 3.12Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 3.44Å; E93-L96 PolarHBondContact O-N 3.23Å; L96-W99 HydrophobicContact CD2-CE3 4.2Å; L96-W99 PolarHBondContact O-N 3.47Å; L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 3.22Å; L96-L342 HydrophobicContact CD2-CD2 4.27Å
97D98.6Very high98.4Very high109 Ų10976.3 Ų76.358%0.58338%0.375SS*.Hα-helixtrans-65-43.3175.1-76.3-13.6000111.3E93 W99 A100 K101E93-D97 WeakPolarHBondContact O-CB 3.48Å; E93-D97 VanDerWaalsContact O-CG 3.29Å; E93-D97 PolarHBondContact O-N 3.09Å; D97-W99 VanDerWaalsContact C-N 3.33Å; D97-W99 PolarHBondContact O-N 3.16Å; D97-A100 PolarHBondContact O-N 2.88Å; D97-K101 WeakPolarHBondContact O-CB 3.17Å; D97-K101 PolarHBondContact O-N 2.78Å
98N98.3Very high98.3Very high36 Ų3677.1 Ų77.119%0.19338%0.382CS..Hα-helixtrans-59.2-46172.7-73.5-25.1000110.9E94 E95 A100 K101 I102 A103 W114E94-N98 VanDerWaalsContact O-CG 3.23Å; E94-N98 PolarHBondContact O-N 3.28Å; E94-N98 PolarHBondContact O-ND2 2.88Å; E95-N98 PolarHBondContact OE2-ND2 3.09Å; N98-A100 PolarHBondContact O-N 3.06Å; N98-K101 PolarHBondContact O-N 3.44Å; N98-I102 HydrophobicContact CB-CD1 4.49Å; N98-I102 HydrophobicContact CB-CG1 4.36Å; N98-I102 WeakPolarHBondContact O-CG1 3.36Å; N98-I102 PolarHBondContact O-N 2.81Å; N98-A103 PolarHBondContact O-N 3.24Å; N98-W114 HydrophobicContact CB-CZ2 4.28Å
99W98.4Very high98.1Very high162 Ų16280.3 Ų80.361%0.61440%0.401SS*.Hα-helixtrans-60.6-45.3178.7-177.225000112E95 L96 D97 A103 W114E95-W99 WeakPolarHBondContact O-CB 3.44Å; E95-W99 PolarHBondContact O-N 3.21Å; L96-W99 HydrophobicContact CD2-CE3 4.2Å; L96-W99 PolarHBondContact O-N 3.47Å; D97-W99 VanDerWaalsContact C-N 3.33Å; D97-W99 PolarHBondContact O-N 3.16Å; W99-A103 VanDerWaalsContact O-CA 3.24Å; W99-A103 WeakPolarHBondContact O-CA 3.42Å; W99-A103 PolarHBondContact O-N 2.85Å; W99-A103 VanDerWaalsContact O-N 3.11Å; W99-W114 HydrophobicContact CB-CH2 4.07Å; W99-W114 HydrophobicContact CB-CZ2 4.22Å; W99-W114 HydrophobicContact CG-CH2 4.41Å
100A98.6Very high97.8Very high90 Ų9075 Ų7574%0.74440%0.396SS*.Hα-helixtrans-65.6-41.1177.700000112.9L96 D97 N98L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 3.22Å; D97-A100 PolarHBondContact O-N 2.88Å; N98-A100 PolarHBondContact O-N 3.06Å
101K98.4Very high97.5Very high183 Ų18373.4 Ų73.480%0.79640%0.398SS*.Hα-helixtrans-83.9-41.3-170.8-172.2179.4179.8178.10113.7D97 N98D97-K101 WeakPolarHBondContact O-CB 3.17Å; D97-K101 PolarHBondContact O-N 2.78Å; N98-K101 PolarHBondContact O-N 3.44Å
102I98.4Very high97.4Very high46 Ų4672.8 Ų72.824%0.23640%0.395CS..Hα-helixtrans-126.6-4.4-169.563163.4000113.6N98 I104 H105 V109N98-I102 HydrophobicContact CB-CD1 4.49Å; N98-I102 HydrophobicContact CB-CG1 4.36Å; N98-I102 WeakPolarHBondContact O-CG1 3.36Å; N98-I102 PolarHBondContact O-N 2.81Å; I102-I104 PolarHBondContact O-N 3.44Å; I102-H105 HydrophobicContact CB-CB 4.19Å; I102-H105 HydrophobicContact CD1-CB 4.44Å; I102-H105 WeakPolarHBondContact O-CB 3.34Å; I102-H105 PolarHBondContact O-CD2 3.49Å; I102-H105 VanDerWaalsContact O-CD2 3.29Å; I102-H105 PolarHBondContact O-N 3.1Å; I102-V109 HydrophobicContact CD1-CG2 3.34Å
103A98.4Very high97.2Very high47 Ų4771.4 Ų71.439%0.38839%0.389SS..G310 helixtrans44-120.7173.900000112.8N98 W99 H105 G106 W114N98-A103 PolarHBondContact O-N 3.24Å; W99-A103 VanDerWaalsContact O-CA 3.24Å; W99-A103 WeakPolarHBondContact O-CA 3.42Å; W99-A103 PolarHBondContact O-N 2.85Å; W99-A103 VanDerWaalsContact O-N 3.11Å; A103-H105 PolarHBondContact O-N 3.29Å; A103-G106 PolarHBondContact O-N 2.91Å; A103-W114 WeakPolarHBondContact O-CH2 3.48Å; A103-W114 VanDerWaalsContact O-CZ3 3.23Å; A103-W114 WeakPolarHBondContact O-CZ3 3.25Å
104I97.8Very high97.2Very high115 Ų11568.1 Ų68.159%0.5937%0.373SS*.G310 helixtrans-53.4-29.1-177-166.572000113.6I102 G106 H107I102-I104 PolarHBondContact O-N 3.44Å; I104-G106 PolarHBondContact O-N 3.06Å; I104-H107 WeakPolarHBondContact O-CB 3.41Å; I104-H107 PolarHBondContact O-CD2 3.37Å; I104-H107 PolarHBondContact O-N 3.11Å
105H98.3Very high97Very high121 Ų12165.6 Ų65.656%0.5636%0.361SS*.G310 helixtrans-66.2-24.9-179.1-61.2-68.6000112.3I102 A103 H107 T108 V109I102-H105 HydrophobicContact CB-CB 4.19Å; I102-H105 HydrophobicContact CD1-CB 4.44Å; I102-H105 WeakPolarHBondContact O-CB 3.34Å; I102-H105 PolarHBondContact O-CD2 3.49Å; I102-H105 VanDerWaalsContact O-CD2 3.29Å; I102-H105 PolarHBondContact O-N 3.1Å; A103-H105 PolarHBondContact O-N 3.29Å; H105-H107 PolarHBondContact O-N 3.43Å; H105-H107 VanDerWaalsContact O-N 3.07Å; H105-T108 PolarHBondContact O-N 3.21Å; H105-T108 PolarHBondContact O-OG1 3.07Å; H105-V109 WeakPolarHBondContact O-CG2 3.43Å; H105-V109 PolarHBondContact O-N 3.14Å
106G97.8Very high96.7Very high0 Ų069.6 Ų69.60%038%0.377CS..G310 helixtrans-59.1-17.5175.200000114.4A103 I104 T108 W114A103-G106 PolarHBondContact O-N 2.91Å; I104-G106 PolarHBondContact O-N 3.06Å; G106-T108 PolarHBondContact O-N 3Å; G106-W114 VanDerWaalsContact C-CD2 3.44Å; G106-W114 PolarHBondContact O-N 3.04Å; G106-W114 VanDerWaalsContact O-N 3.09Å
107H97.4Very high96.4Very high64 Ų6465.9 Ų65.930%0.29636%0.357SS..G310 helixtrans-58.9-30.8169.9-79.6-61000113.5I104 H105 P113 W114 A115I104-H107 WeakPolarHBondContact O-CB 3.41Å; I104-H107 PolarHBondContact O-CD2 3.37Å; I104-H107 PolarHBondContact O-N 3.11Å; H105-H107 PolarHBondContact O-N 3.43Å; H105-H107 VanDerWaalsContact O-N 3.07Å; H107-P113 CarbonylContact O-C 3.46Å; H107-W114 AromaticContact ND1-CE3 3.87Å; H107-W114 PolarHBondContact O-N 2.84Å; H107-A115 WeakPolarHBondContact O-CB 3.41Å; H107-A115 PolarHBondContact O-N 3.07Å
108T96Very high95.9Very high74 Ų7460.9 Ų60.945%0.45433%0.33SS..THydrogen-bonded Turntrans-126.6-6.5-167.5580000114.4H105 G106 W116H105-T108 PolarHBondContact O-N 3.21Å; H105-T108 PolarHBondContact O-OG1 3.07Å; G106-T108 PolarHBondContact O-N 3Å; T108-W116 HydrophobicContact CG2-CH2 3.8Å; T108-W116 HydrophobicContact CG2-CZ2 4.39Å; T108-W116 HydrophobicContact CG2-CZ3 4.44Å; T108-W116 WeakPolarHBondContact O-CZ3 3.21Å
109V94.8Very high95.3Very high70 Ų7064.4 Ų64.442%0.42435%0.349SS..SBendtrans-130.9167.7179-50.70000110.9I102 H105I102-V109 HydrophobicContact CD1-CG2 3.34Å; H105-V109 WeakPolarHBondContact O-CG2 3.43Å; H105-V109 PolarHBondContact O-N 3.14Å
110G93.1Very high94.9Very high47 Ų4759 Ų5949%0.48533%0.332SS..SBendtrans100.7-180-178.900000112.5R112 P113G110-R112 VanDerWaalsContact C-N 3.28Å; G110-P113 WeakPolarHBondContact O-CD 3.39Å
111S92.1Very high94.7Very high73 Ų7354.8 Ų54.851%0.5130%0.297SS..SBendtrans-68.9-27.3176.944.40000112.7
112R95.6Very high94.6Very high8 Ų847 Ų473%0.0326%0.264CS..SBendtrans-131.771.2179.2-56.6169.2-161.378.84.3110.2Y91 E94 E95 G110 W114 I341Y91-R112 VanDerWaalsContact CE1-NH2 3.29Å; E94-R112 IonicContact OE2-CZ 2.7Å; E94-R112 IonicContact OE2-NH1 3.15Å; E94-R112 PolarHBondContact OE2-NH1 2.93Å; E94-R112 IonicContact OE2-NH2 2.64Å; E94-R112 PolarHBondContact OE2-NH2 3.01Å; E95-R112 WeakPolarHBondContact OE1-CD 3.35Å; E95-R112 IonicContact OE1-CZ 3.4Å; E95-R112 IonicContact OE1-NH1 3.8Å; E95-R112 PolarHBondContact OE1-NH1 3.44Å; G110-R112 VanDerWaalsContact C-N 3.28Å; R112-W114 PolarHBondContact O-N 2.72Å; R112-W114 VanDerWaalsContact O-N 3.07Å; R112-I341 HydrophobicContact CB-CD1 3.96Å
113P95.9Very high94.6Very high25 Ų2549.2 Ų49.216%0.16228%0.276CS..  trans-54121.1179.3-23.934000110.6H107 G110 A115 W116 A117H107-P113 CarbonylContact O-C 3.46Å; G110-P113 WeakPolarHBondContact O-CD 3.39Å; P113-A115 PolarHBondContact O-N 3.29Å; P113-A115 VanDerWaalsContact O-N 3.1Å; P113-W116 HydrophobicContact CB-CD2 4.44Å; P113-W116 HydrophobicContact CB-CE3 3.41Å; P113-W116 VanDerWaalsContact CB-CE3 3.41Å; P113-W116 HydrophobicContact CB-CZ3 3.78Å; P113-W116 HydrophobicContact CG-CE3 3.99Å; P113-W116 HydrophobicContact CG-CZ3 4.31Å; P113-W116 CarbonylContact O-C 3.53Å; P113-W116 PolarHBondContact O-N 3.26Å; P113-A117 PolarHBondContact O-N 3.38Å
114W97Very high94.5Very high26 Ų2648 Ų4810%0.09826%0.264CS..G310 helixtrans-65.5-23.5-165.1-46.8-31.4000113.6E95 N98 W99 A103 G106 H107 R112 W116 I341E95-W114 PolarHBondContact OE2-NE1 3.23Å; N98-W114 HydrophobicContact CB-CZ2 4.28Å; W99-W114 HydrophobicContact CB-CH2 4.07Å; W99-W114 HydrophobicContact CB-CZ2 4.22Å; W99-W114 HydrophobicContact CG-CH2 4.41Å; A103-W114 WeakPolarHBondContact O-CH2 3.48Å; A103-W114 VanDerWaalsContact O-CZ3 3.23Å; A103-W114 WeakPolarHBondContact O-CZ3 3.25Å; G106-W114 VanDerWaalsContact C-CD2 3.44Å; G106-W114 PolarHBondContact O-N 3.04Å; G106-W114 VanDerWaalsContact O-N 3.09Å; H107-W114 AromaticContact ND1-CE3 3.87Å; H107-W114 PolarHBondContact O-N 2.84Å; R112-W114 PolarHBondContact O-N 2.72Å; R112-W114 VanDerWaalsContact O-N 3.07Å; W114-W116 VanDerWaalsContact C-N 3.27Å; W114-W116 PolarHBondContact O-N 3.13Å; W114-I341 HydrophobicContact CG-CB 4.23Å; W114-I341 HydrophobicContact CG-CG1 4.23Å; W114-I341 HydrophobicContact CG-CG2 4.36Å
115A94.7Very high94.6Very high1 Ų142.5 Ų42.51%0.00824%0.236CC..G310 helixtrans-72.5-19.2176.300000113.8H107 P113 F319H107-A115 WeakPolarHBondContact O-CB 3.41Å; H107-A115 PolarHBondContact O-N 3.07Å; P113-A115 PolarHBondContact O-N 3.29Å; P113-A115 VanDerWaalsContact O-N 3.1Å; A115-F319 HydrophobicContact CB-CE2 4.29Å; A115-F319 HydrophobicContact CB-CZ 4.01Å
116W92.8Very high94.6Very high87 Ų8736.8 Ų36.833%0.3321%0.21SC..G310 helixtrans-129.131.7-176.3-48-58.9000111.4T108 P113 W114 E118 N119T108-W116 HydrophobicContact CG2-CH2 3.8Å; T108-W116 HydrophobicContact CG2-CZ2 4.39Å; T108-W116 HydrophobicContact CG2-CZ3 4.44Å; T108-W116 WeakPolarHBondContact O-CZ3 3.21Å; P113-W116 HydrophobicContact CB-CD2 4.44Å; P113-W116 HydrophobicContact CB-CE3 3.41Å; P113-W116 VanDerWaalsContact CB-CE3 3.41Å; P113-W116 HydrophobicContact CB-CZ3 3.78Å; P113-W116 HydrophobicContact CG-CE3 3.99Å; P113-W116 HydrophobicContact CG-CZ3 4.31Å; P113-W116 CarbonylContact O-C 3.53Å; P113-W116 PolarHBondContact O-N 3.26Å; W114-W116 VanDerWaalsContact C-N 3.27Å; W114-W116 PolarHBondContact O-N 3.13Å; W116-E118 PolarHBondContact O-N 3.37Å; W116-N119 WeakPolarHBondContact O-CB 3.47Å; W116-N119 PolarHBondContact O-N 3.43Å; W116-N119 VanDerWaalsContact O-N 3.13Å
117A91.6Very high94.6Very high0 Ų042.5 Ų42.50%024%0.241CC..G310 helixtrans-59.7-29.4-175.500000111.9P113 N119 N120 Q339 I341 V344P113-A117 PolarHBondContact O-N 3.38Å; A117-N119 PolarHBondContact O-N 3Å; A117-N120 WeakPolarHBondContact O-CB 3.22Å; A117-N120 PolarHBondContact O-N 2.94Å; A117-N120 VanDerWaalsContact O-N 3.12Å; A117-N120 PolarHBondContact O-ND2 2.95Å; A117-N120 VanDerWaalsContact O-ND2 3.12Å; A117-Q339 HydrophobicContact CB-CB 4.41Å; A117-I341 HydrophobicContact CB-CD1 4.25Å; A117-V344 HydrophobicContact CB-CG1 4.43Å; A117-V344 HydrophobicContact CB-CG2 4.11Å
118E88.1Confident94.7Very high4 Ų439.9 Ų39.92%0.01923%0.229CC..G310 helixtrans-47.5-40.3172.753.5-102.2-125.800114.2W116 N120 I121 E122 L315 R335 Q339W116-E118 PolarHBondContact O-N 3.37Å; E118-N120 PolarHBondContact O-N 3.28Å; E118-I121 PolarHBondContact O-N 3.37Å; E118-I121 VanDerWaalsContact O-N 3.07Å; E118-E122 HydrophobicContact CB-CG 4.18Å; E118-E122 PolarHBondContact O-N 2.88Å; E118-L315 WeakPolarHBondContact OE1-CD2 3.23Å; E118-R335 VanDerWaalsContact CD-NH2 3.33Å; E118-R335 IonicContact OE1-CZ 2.75Å; E118-R335 IonicContact OE1-NH1 3.35Å; E118-R335 PolarHBondContact OE1-NH1 3.02Å; E118-R335 IonicContact OE1-NH2 2.93Å; E118-R335 PolarHBondContact OE1-NH2 3.2Å; E118-R335 IonicContact OE2-CZ 3.98Å; E118-R335 IonicContact OE2-NH1 3.04Å; E118-R335 IonicContact OE2-NH2 3.3Å; E118-R335 PolarHBondContact OE2-NH2 3.36Å; E118-Q339 PolarHBondContact OE2-OE1 3.25Å
119N86.7Confident94.8Very high109 Ų10936.4 Ų36.458%0.58321%0.207SC*.G310 helixtrans-62.8-16.8-175.6-66.6-11.1000113W116 A117W116-N119 WeakPolarHBondContact O-CB 3.47Å; W116-N119 PolarHBondContact O-N 3.43Å; W116-N119 VanDerWaalsContact O-N 3.13Å; A117-N119 PolarHBondContact O-N 3Å
120N88.8Confident95Very high50 Ų5034.1 Ų34.127%0.26720%0.198SC..G310 helixtrans-91.5-15.5-177.9-57.4-77.4000113.1A117 E118A117-N120 WeakPolarHBondContact O-CB 3.22Å; A117-N120 PolarHBondContact O-N 2.94Å; A117-N120 VanDerWaalsContact O-N 3.12Å; A117-N120 PolarHBondContact O-ND2 2.95Å; A117-N120 VanDerWaalsContact O-ND2 3.12Å; E118-N120 PolarHBondContact O-N 3.28Å
121I95.6Very high95.2Very high0 Ų032.6 Ų32.60%018%0.181CC..THydrogen-bonded Turntrans-134.3-28.6-163.652.6174.2000113.9E118 M125 L138 L290 V344 Q348 L351E118-I121 PolarHBondContact O-N 3.37Å; E118-I121 VanDerWaalsContact O-N 3.07Å; I121-M125 WeakPolarHBondContact O-CB 3.41Å; I121-M125 PolarHBondContact O-N 3.11Å; I121-M125 VanDerWaalsContact O-N 3.1Å; I121-L138 HydrophobicContact CB-CD1 3.6Å; I121-L138 HydrophobicContact CD1-CB 3.85Å; I121-L138 HydrophobicContact CD1-CD1 3.52Å; I121-L138 HydrophobicContact CD1-CG 4.32Å; I121-L138 HydrophobicContact CG1-CD1 3.55Å; I121-L290 HydrophobicContact CD1-CD2 4.21Å; I121-V344 HydrophobicContact CD1-CG1 4.05Å; I121-V344 HydrophobicContact CD1-CG2 4.02Å; I121-V344 HydrophobicContact CG2-CG1 4.06Å; I121-Q348 HydrophobicContact CG2-CB 3.83Å; I121-Q348 HydrophobicContact CG2-CG 4.32Å; I121-L351 HydrophobicContact CB-CD1 3.92Å; I121-L351 HydrophobicContact CG2-CD1 4.09Å; I121-L351 WeakPolarHBondContact O-CD1 3.41Å
122E96.6Very high95.5Very high21 Ų2133.4 Ų33.410%0.09818%0.175CC..Hα-helixtrans-73.4-38.1-170.7-70.7-177.6172.500113.4E118 S124 M125 A126 A137 L138E118-E122 HydrophobicContact CB-CG 4.18Å; E118-E122 PolarHBondContact O-N 2.88Å; E122-S124 PolarHBondContact O-N 3.14Å; E122-M125 PolarHBondContact O-N 3.18Å; E122-A126 WeakPolarHBondContact O-CB 3.39Å; E122-A126 PolarHBondContact O-N 3.49Å; E122-A137 WeakPolarHBondContact OE1-CA 3.35Å; E122-L138 HydrophobicContact CG-CD1 4.27Å; E122-L138 HydrophobicContact CG-CG 4.33Å; E122-L138 PolarHBondContact OE1-N 2.84Å; E122-L138 VanDerWaalsContact OE1-N 3.16Å
123D97.3Very high95.5Very high92 Ų9235.7 Ų35.749%0.49219%0.192SC..Hα-helixtrans-62.5-43.5176.2-75.4-17000112.3M125 A126 N127 S133D123-M125 VanDerWaalsContact C-N 3.3Å; D123-M125 PolarHBondContact O-N 2.88Å; D123-A126 PolarHBondContact O-N 2.78Å; D123-N127 PolarHBondContact O-N 3.05Å; D123-N127 VanDerWaalsContact O-N 3.13Å; D123-N127 PolarHBondContact O-ND2 3.09Å; D123-S133 WeakPolarHBondContact OD1-CB 3.46Å; D123-S133 PolarHBondContact OD1-OG 3.24Å
124S97.7Very high95.4Very high20 Ų2037 Ų3714%0.1421%0.21CC..Hα-helixtrans-64.6-39.3177.2-61.70000110.9E122 N127 I128 N355E122-S124 PolarHBondContact O-N 3.14Å; S124-N127 PolarHBondContact O-N 3.29Å; S124-I128 WeakPolarHBondContact O-CG1 3.25Å; S124-I128 PolarHBondContact O-N 2.84Å; S124-N355 PolarHBondContact OG-ND2 3.42Å
125M98.6Very high95.5Very high0 Ų035.9 Ų35.90%021%0.206CC..Hα-helixtrans-67.6-41.9176.9-167.270.8-105.100111.9I121 E122 D123 N127 I128 V129 V136 L138 V260 W277 L283 L351I121-M125 WeakPolarHBondContact O-CB 3.41Å; I121-M125 PolarHBondContact O-N 3.11Å; I121-M125 VanDerWaalsContact O-N 3.1Å; E122-M125 PolarHBondContact O-N 3.18Å; D123-M125 VanDerWaalsContact C-N 3.3Å; D123-M125 PolarHBondContact O-N 2.88Å; M125-N127 VanDerWaalsContact C-N 3.29Å; M125-N127 PolarHBondContact O-N 3.44Å; M125-I128 HydrophobicContact CE-CB 3.74Å; M125-I128 HydrophobicContact CE-CD1 4.26Å; M125-I128 HydrophobicContact CE-CG2 3.66Å; M125-I128 PolarHBondContact O-N 3.39Å; M125-I128 VanDerWaalsContact O-N 3.1Å; M125-V129 HydrophobicContact CE-CG1 3.61Å; M125-V129 WeakPolarHBondContact O-CG2 3.49Å; M125-V129 PolarHBondContact O-N 2.97Å; M125-V129 VanDerWaalsContact O-N 3.11Å; M125-V136 HydrophobicContact CB-CG1 4.1Å; M125-V136 HydrophobicContact CG-CG1 3.83Å; M125-L138 HydrophobicContact CB-CD1 4.01Å; M125-L138 HydrophobicContact CG-CD1 4.22Å; M125-L138 HydrophobicContact CG-CD2 3.9Å; M125-L138 HydrophobicContact CG-CG 4.31Å; M125-L138 HydrophobicContact SD-CD2 4.17Å; M125-V260 HydrophobicContact CE-CG2 3.39Å; M125-W277 HydrophobicContact CE-CZ2 4.21Å; M125-W277 HydrophobicContact CG-CZ2 3.66Å; M125-W277 HydrophobicContact SD-CZ2 4.18Å; M125-W277 PolarHBondContact SD-NE1 3.42Å; M125-L283 HydrophobicContact CE-CD1 3.94Å; M125-L283 HydrophobicContact CE-CD2 4.32Å; M125-L283 HydrophobicContact SD-CD1 3.86Å; M125-L351 HydrophobicContact SD-CD2 4.26Å
126A98.5Very high95.7Very high1 Ų135.8 Ų35.81%0.00821%0.206CC..Hα-helixtrans-57.7-42.4176.600000111.7E122 D123 I128 V129 G130 A131 V136E122-A126 WeakPolarHBondContact O-CB 3.39Å; E122-A126 PolarHBondContact O-N 3.49Å; D123-A126 PolarHBondContact O-N 2.78Å; A126-I128 PolarHBondContact O-N 2.88Å; A126-V129 PolarHBondContact O-N 3.29Å; A126-G130 PolarHBondContact O-N 3.19Å; A126-A131 PolarHBondContact O-N 3.22Å; A126-V136 HydrophobicContact CB-CG2 4.1Å
127N98.1Very high96Very high121 Ų12131.7 Ų31.765%0.64719%0.19SC*.Hα-helixtrans-61.1-40.4174.3-70-30.5000113.1D123 S124 M125 G130D123-N127 PolarHBondContact O-N 3.05Å; D123-N127 VanDerWaalsContact O-N 3.13Å; D123-N127 PolarHBondContact O-ND2 3.09Å; S124-N127 PolarHBondContact O-N 3.29Å; M125-N127 VanDerWaalsContact C-N 3.29Å; M125-N127 PolarHBondContact O-N 3.44Å; N127-G130 PolarHBondContact O-N 2.91Å
128I98.7Very high96.3Very high9 Ų931.7 Ų31.75%0.04619%0.19CC..Hα-helixtrans-68.2-36.9-179.6-69.6169.2000111.8S124 M125 A126 V260 L283 L351 F354 M359S124-I128 WeakPolarHBondContact O-CG1 3.25Å; S124-I128 PolarHBondContact O-N 2.84Å; M125-I128 HydrophobicContact CE-CB 3.74Å; M125-I128 HydrophobicContact CE-CD1 4.26Å; M125-I128 HydrophobicContact CE-CG2 3.66Å; M125-I128 PolarHBondContact O-N 3.39Å; M125-I128 VanDerWaalsContact O-N 3.1Å; A126-I128 PolarHBondContact O-N 2.88Å; I128-V260 HydrophobicContact CG2-CG2 3.96Å; I128-L283 HydrophobicContact CD1-CD2 4.08Å; I128-L283 HydrophobicContact CG2-CD2 4.45Å; I128-L351 HydrophobicContact CD1-CD2 3.44Å; I128-L351 VanDerWaalsContact CD1-CD2 3.44Å; I128-F354 HydrophobicContact CD1-CB 3.84Å; I128-F354 HydrophobicContact CD1-CD1 3.98Å; I128-F354 HydrophobicContact CD1-CD2 4.34Å; I128-F354 HydrophobicContact CD1-CG 3.8Å; I128-F354 HydrophobicContact CG1-CD1 4.4Å; I128-M359 HydrophobicContact CB-CG 4.45Å; I128-M359 HydrophobicContact CG1-CG 4.41Å; I128-M359 HydrophobicContact CG2-CG 4.26Å; I128-M359 HydrophobicContact CG2-SD 4.15Å
129V98.8Very high96.7Very high0 Ų031.8 Ų31.80%019%0.191CC..Hα-helixtrans-91.9-2.2-178.8-57.80000113.7M125 A126 A131 V136 V260 L265 L267 W277M125-V129 HydrophobicContact CE-CG1 3.61Å; M125-V129 WeakPolarHBondContact O-CG2 3.49Å; M125-V129 PolarHBondContact O-N 2.97Å; M125-V129 VanDerWaalsContact O-N 3.11Å; A126-V129 PolarHBondContact O-N 3.29Å; V129-A131 HydrophobicContact CG2-CB 3.63Å; V129-V136 HydrophobicContact CG2-CG2 3.88Å; V129-V260 HydrophobicContact CG1-CG2 3.84Å; V129-L265 CarbonylContact C-O 3.44Å; V129-L265 HydrophobicContact CB-CD1 4.35Å; V129-L265 HydrophobicContact CG1-CD1 4.16Å; V129-L265 CarbonylContact O-C 3.33Å; V129-L265 WeakPolarHBondContact O-CB 3.47Å; V129-L267 HydrophobicContact CB-CD1 3.81Å; V129-L267 HydrophobicContact CB-CG 4.29Å; V129-L267 HydrophobicContact CG2-CD1 4.14Å; V129-L267 WeakPolarHBondContact O-CG 3.42Å; V129-L267 PolarHBondContact O-N 3.15Å; V129-L267 VanDerWaalsContact O-N 3.07Å; V129-W277 HydrophobicContact CG1-CD2 4.5Å; V129-W277 HydrophobicContact CG1-CE3 4.45Å; V129-W277 HydrophobicContact CG1-CH2 3.97Å; V129-W277 HydrophobicContact CG1-CZ2 3.98Å; V129-W277 HydrophobicContact CG1-CZ3 4.19Å; V129-W277 HydrophobicContact CG2-CH2 4.21Å
130G98.6Very high97.3Very high23 Ų2329 Ų2924%0.23718%0.176CC..THydrogen-bonded Turntrans60.950.7-175.200000111.8A126 N127 L265 K266 L267 H268A126-G130 PolarHBondContact O-N 3.19Å; N127-G130 PolarHBondContact O-N 2.91Å; G130-L265 WeakPolarHBondContact CA-O 3.49Å; G130-K266 CarbonylContact O-C 3.47Å; G130-L267 PolarHBondContact O-N 3.28Å; G130-H268 WeakPolarHBondContact O-CB 3.4Å; G130-H268 PolarHBondContact O-N 3.01Å
131A98.7Very high97.8Very high15 Ų1528.1 Ų28.112%0.12418%0.178CC..  trans-121.6168.917600000110.9A126 V129 E135 V136 F294A126-A131 PolarHBondContact O-N 3.22Å; V129-A131 HydrophobicContact CG2-CB 3.63Å; A131-E135 HydrophobicContact CB-CB 4.3Å; A131-V136 HydrophobicContact CB-CG2 3.81Å; A131-F294 HydrophobicContact CB-CD2 3.62Å; A131-F294 HydrophobicContact CB-CE2 3.52Å
132K98.1Very high97.9Very high89 Ų8929 Ų2939%0.38718%0.183SC..  trans-82.6154.2165.5-60.1176.9-177.8175.30110G134 E135 H268 E297K132-G134 VanDerWaalsContact C-N 3.29Å; K132-G134 PolarHBondContact O-N 3.27Å; K132-E135 HydrophobicContact CB-CG 4.11Å; K132-E135 WeakPolarHBondContact CB-OE2 3.38Å; K132-E135 PolarHBondContact N-OE2 3.33Å; K132-E135 WeakPolarHBondContact O-CB 3.02Å; K132-E135 PolarHBondContact O-N 3.06Å; K132-H268 WeakPolarHBondContact CE-CE1 3.39Å; K132-H268 VanDerWaalsContact CE-NE2 3.29Å; K132-H268 WeakPolarHBondContact CE-NE2 3.42Å; K132-H268 PolarHBondContact NZ-CE1 3.41Å; K132-H268 PolarHBondContact NZ-NE2 3.44Å; K132-E297 WeakPolarHBondContact CD-OE2 3.38Å; K132-E297 IonicContact NZ-OE1 3.88Å; K132-E297 PolarHBondContact NZ-OE1 2.86Å; K132-E297 IonicContact NZ-OE2 3.51Å; K132-E297 PolarHBondContact NZ-OE2 3.04Å
133S93.9Very high98Very high56 Ų5629.9 Ų29.939%0.39219%0.19SC..G310 helixtrans-53.7-42.7-178.8-52.40000113.4D123 E135 V136D123-S133 WeakPolarHBondContact OD1-CB 3.46Å; D123-S133 PolarHBondContact OD1-OG 3.24Å; S133-E135 PolarHBondContact O-N 2.56Å; S133-E135 VanDerWaalsContact O-N 3.16Å; S133-V136 PolarHBondContact O-N 2.9Å
134G95.4Very high98.1Very high52 Ų5229 Ų2954%0.53619%0.188SC..G310 helixtrans-72.7-1.117900000115.4K132K132-G134 VanDerWaalsContact C-N 3.29Å; K132-G134 PolarHBondContact O-N 3.27Å
135E98.6Very high98.2Very high3 Ų328.1 Ų28.11%0.01418%0.181CC..G310 helixtrans-102.6-2.2178.4-60.8177.6131.100112.5A131 K132 S133 H268 F294 I295 H296 E297 V331A131-E135 HydrophobicContact CB-CB 4.3Å; K132-E135 HydrophobicContact CB-CG 4.11Å; K132-E135 WeakPolarHBondContact CB-OE2 3.38Å; K132-E135 PolarHBondContact N-OE2 3.33Å; K132-E135 WeakPolarHBondContact O-CB 3.02Å; K132-E135 PolarHBondContact O-N 3.06Å; S133-E135 PolarHBondContact O-N 2.56Å; S133-E135 VanDerWaalsContact O-N 3.16Å; E135-H268 IonicContact OE1-CE1 3.21Å; E135-H268 IonicContact OE1-CG 3.56Å; E135-H268 IonicContact OE1-ND1 3.62Å; E135-H268 PolarHBondContact OE1-ND1 2.9Å; E135-H268 IonicContact OE2-CG 2.83Å; E135-H268 IonicContact OE2-ND1 2.77Å; E135-H268 PolarHBondContact OE2-ND1 3.41Å; E135-H268 VanDerWaalsContact OE2-ND1 3.14Å; E135-F294 HydrophobicContact CB-CD2 3.71Å; E135-F294 HydrophobicContact CB-CE2 3.52Å; E135-F294 HydrophobicContact CG-CE2 4.22Å; E135-F294 CarbonylContact O-C 3.52Å; E135-F294 WeakPolarHBondContact O-CA 3.41Å; E135-F294 VanDerWaalsContact O-CD2 3.28Å; E135-F294 WeakPolarHBondContact O-CD2 3.28Å; E135-I295 WeakPolarHBondContact CB-O 3.38Å; E135-I295 PolarHBondContact O-N 2.8Å; E135-H296 IonicContact OE1-CD2 3.04Å; E135-H296 IonicContact OE1-CG 2.89Å; E135-E297 HydrophobicContact CG-CB 4.06Å; E135-E297 WeakPolarHBondContact OE1-CB 3.49Å; E135-E297 PolarHBondContact OE1-N 2.95Å; E135-V331 WeakPolarHBondContact O-CG1 3.14Å
136V98.6Very high98.2Very high0 Ų028.1 Ų28.10%018%0.181CC..EExtended strand (participates in β ladder)trans-119.3137.6-178.7176.80000111.3M125 A126 V129 A131 S133 W277 A293 F294 V331M125-V136 HydrophobicContact CB-CG1 4.1Å; M125-V136 HydrophobicContact CG-CG1 3.83Å; A126-V136 HydrophobicContact CB-CG2 4.1Å; V129-V136 HydrophobicContact CG2-CG2 3.88Å; A131-V136 HydrophobicContact CB-CG2 3.81Å; S133-V136 PolarHBondContact O-N 2.9Å; V136-W277 HydrophobicContact CG1-CH2 4.08Å; V136-W277 HydrophobicContact CG1-CZ2 3.95Å; V136-W277 HydrophobicContact CG2-CH2 4.31Å; V136-A293 WeakPolarHBondContact CA-O 3.49Å; V136-F294 HydrophobicContact CG2-CD2 4.41Å; V136-V331 VanDerWaalsContact C-CG1 3.41Å
137A98.2Very high98.2Very high0 Ų031 Ų310%019%0.194CC..EExtended strand (participates in β ladder)trans-129.8135.7167.100000110.5E122 M139 G292 A293 V331 R335E122-A137 WeakPolarHBondContact OE1-CA 3.35Å; A137-M139 HydrophobicContact CB-CG 4.38Å; A137-M139 HydrophobicContact CB-SD 4.43Å; A137-G292 CarbonylContact O-C 3.5Å; A137-G292 WeakPolarHBondContact O-CA 3.34Å; A137-A293 PolarHBondContact N-O 3.29Å; A137-A293 PolarHBondContact O-N 2.8Å; A137-V331 HydrophobicContact CB-CB 4.43Å; A137-V331 HydrophobicContact CB-CG1 3.94Å; A137-V331 HydrophobicContact CB-CG2 3.82Å; A137-R335 HydrophobicContact CB-CG 4.35Å
138L98.3Very high98.2Very high0 Ų025.9 Ų25.90%017%0.167CC..EExtended strand (participates in β ladder)trans-100105.9173-70.5170.5000109.8I121 E122 M125 L290 A291 Q339 L347I121-L138 HydrophobicContact CB-CD1 3.6Å; I121-L138 HydrophobicContact CD1-CB 3.85Å; I121-L138 HydrophobicContact CD1-CD1 3.52Å; I121-L138 HydrophobicContact CD1-CG 4.32Å; I121-L138 HydrophobicContact CG1-CD1 3.55Å; E122-L138 HydrophobicContact CG-CD1 4.27Å; E122-L138 HydrophobicContact CG-CG 4.33Å; E122-L138 PolarHBondContact OE1-N 2.84Å; E122-L138 VanDerWaalsContact OE1-N 3.16Å; M125-L138 HydrophobicContact CB-CD1 4.01Å; M125-L138 HydrophobicContact CG-CD1 4.22Å; M125-L138 HydrophobicContact CG-CD2 3.9Å; M125-L138 HydrophobicContact CG-CG 4.31Å; M125-L138 HydrophobicContact SD-CD2 4.17Å; L138-L290 HydrophobicContact CB-CD2 3.92Å; L138-L290 HydrophobicContact CB-CG 4.37Å; L138-A291 CarbonylContact C-O 3.51Å; L138-A291 WeakPolarHBondContact CA-O 3.25Å; L138-Q339 PolarHBondContact O-NE2 2.89Å; L138-L347 HydrophobicContact CD1-CD2 3.83Å; L138-L347 HydrophobicContact CD2-CD2 4.06Å; L138-L347 HydrophobicContact CG-CD2 4.41Å
139M97.9Very high98.2Very high6 Ų625.5 Ų25.53%0.0317%0.165CC..  trans-155.3153.5-169.659.3171.6-176.900112.8A137 N145 A291 A293 F334 R335A137-M139 HydrophobicContact CB-CG 4.38Å; A137-M139 HydrophobicContact CB-SD 4.43Å; M139-N145 WeakPolarHBondContact CG-OD1 3.31Å; M139-N145 PolarHBondContact O-ND2 3.42Å; M139-N145 PolarHBondContact O-OD1 3.47Å; M139-A291 PolarHBondContact N-O 2.96Å; M139-A291 CarbonylContact O-C 3.54Å; M139-A293 HydrophobicContact CE-CB 3.65Å; M139-F334 HydrophobicContact CE-CB 3.96Å; M139-R335 HydrophobicContact CB-CG 4.31Å; M139-R335 HydrophobicContact SD-CB 4.4Å; M139-R335 HydrophobicContact SD-CG 3.75Å
140N98.3Very high98.2Very high52 Ų5225.5 Ų25.528%0.27817%0.165SC..SBendtrans50.6-151.9170.5-39.8-56.5000114.4V144 N145 A291N140-V144 HydrophobicContact CB-CB 3.97Å; N140-V144 HydrophobicContact CB-CG1 3.73Å; N140-N145 WeakPolarHBondContact CB-OD1 3.32Å; N140-N145 PolarHBondContact ND2-OD1 3.34Å; N140-A291 PolarHBondContact O-N 2.8Å
141G98.6Very high98.3Very high30 Ų3025.8 Ų25.831%0.30916%0.161SC..  trans-108.9166.7166.700000111.6T143 V144 N145G141-T143 PolarHBondContact O-N 3.38Å; G141-V144 WeakPolarHBondContact O-CB 3.21Å; G141-V144 PolarHBondContact O-N 3.17Å; G141-N145 PolarHBondContact O-N 3.17Å
142L98.8Very high98.3Very high20 Ų2025.2 Ų25.211%0.10516%0.156CC..Hα-helixtrans-54.6-59.8-172170.154000113.3V144 N145 L146 D255 A257 C276 W277 C278 A291L142-V144 PolarHBondContact O-N 3.04Å; L142-N145 WeakPolarHBondContact O-CB 3.41Å; L142-N145 PolarHBondContact O-N 2.96Å; L142-L146 PolarHBondContact O-N 3.48Å; L142-D255 VanDerWaalsContact CD1-OD2 3.28Å; L142-D255 WeakPolarHBondContact CD1-OD2 3.45Å; L142-D255 WeakPolarHBondContact CD2-OD2 3.44Å; L142-A257 HydrophobicContact CD2-CB 3.59Å; L142-C276 HydrophobicContact CD1-CB 3.81Å; L142-W277 VanDerWaalsContact CD1-CA 3.47Å; L142-C278 HydrophobicContact CB-CB 4.05Å; L142-C278 HydrophobicContact CD2-CB 3.96Å; L142-A291 HydrophobicContact CB-CB 4.44Å; L142-A291 VanDerWaalsContact N-CB 3.27Å
143T98.9Very high98.3Very high39 Ų3921 Ų2124%0.23914%0.138CC..Hα-helixtrans-64.3-30.2-177.8-40.60000111.8G141 L146 H147 S172 A176G141-T143 PolarHBondContact O-N 3.38Å; T143-L146 WeakPolarHBondContact O-CB 3.39Å; T143-L146 PolarHBondContact O-N 2.62Å; T143-H147 PolarHBondContact O-CD2 3.18Å; T143-H147 PolarHBondContact O-N 3.38Å; T143-S172 WeakPolarHBondContact CB-OG 3.43Å; T143-S172 WeakPolarHBondContact CG2-OG 3.26Å; T143-S172 PolarHBondContact OG1-OG 3.43Å; T143-A176 HydrophobicContact CG2-CB 4Å
144V98.9Very high98.5Very high74 Ų7418.4 Ų18.445%0.44812%0.119SC..Hα-helixtrans-62.2-48.3173.4178.60000109.8N140 G141 L142 L146 H147 L148N140-V144 HydrophobicContact CB-CB 3.97Å; N140-V144 HydrophobicContact CB-CG1 3.73Å; G141-V144 WeakPolarHBondContact O-CB 3.21Å; G141-V144 PolarHBondContact O-N 3.17Å; L142-V144 PolarHBondContact O-N 3.04Å; V144-L146 VanDerWaalsContact C-N 3.33Å; V144-L146 PolarHBondContact O-N 3.44Å; V144-H147 WeakPolarHBondContact O-CB 3.21Å; V144-H147 PolarHBondContact O-N 2.89Å; V144-L148 HydrophobicContact CG1-CD1 4.44Å; V144-L148 WeakPolarHBondContact O-CG 3.37Å; V144-L148 PolarHBondContact O-N 2.69Å
145N98.9Very high98.6Very high0 Ų021.9 Ų21.90%012%0.12CC..Hα-helixtrans-61.5-41.5176.4-69.4-12.4000111.8M139 N140 G141 L142 H147 L148 L149 C276 G292 A293M139-N145 WeakPolarHBondContact CG-OD1 3.31Å; M139-N145 PolarHBondContact O-ND2 3.42Å; M139-N145 PolarHBondContact O-OD1 3.47Å; N140-N145 WeakPolarHBondContact CB-OD1 3.32Å; N140-N145 PolarHBondContact ND2-OD1 3.34Å; G141-N145 PolarHBondContact O-N 3.17Å; L142-N145 WeakPolarHBondContact O-CB 3.41Å; L142-N145 PolarHBondContact O-N 2.96Å; N145-H147 VanDerWaalsContact C-N 3.3Å; N145-H147 PolarHBondContact O-N 2.91Å; N145-L148 PolarHBondContact O-N 3.12Å; N145-L149 VanDerWaalsContact O-CG 3.25Å; N145-L149 WeakPolarHBondContact O-CG 3.44Å; N145-L149 PolarHBondContact O-N 3.4Å; N145-C276 HydrophobicContact CB-CB 4.17Å; N145-G292 PolarHBondContact ND2-O 2.86Å; N145-A293 HydrophobicContact CB-CB 4.3Å
146L98.9Very high98.6Very high0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-55.5-46.6174.3-18057.3000111.3L142 T143 V144 L148 L149 M150 D173 A176 M224L142-L146 PolarHBondContact O-N 3.48Å; T143-L146 WeakPolarHBondContact O-CB 3.39Å; T143-L146 PolarHBondContact O-N 2.62Å; V144-L146 VanDerWaalsContact C-N 3.33Å; V144-L146 PolarHBondContact O-N 3.44Å; L146-L148 PolarHBondContact O-N 3.11Å; L146-L149 PolarHBondContact O-N 3.02Å; L146-M150 HydrophobicContact CD1-CG 3.87Å; L146-M150 HydrophobicContact CD1-SD 3.78Å; L146-M150 HydrophobicContact CD2-SD 4.49Å; L146-M150 HydrophobicContact CG-CG 4.34Å; L146-M150 HydrophobicContact CG-SD 3.87Å; L146-M150 WeakPolarHBondContact O-CB 3.36Å; L146-M150 VanDerWaalsContact O-CG 3.26Å; L146-M150 WeakPolarHBondContact O-CG 3.44Å; L146-M150 PolarHBondContact O-N 3.26Å; L146-D173 HydrophobicContact CD2-CB 4.44Å; L146-A176 HydrophobicContact CD2-CB 3.81Å; L146-A176 HydrophobicContact CG-CB 4.39Å; L146-M224 HydrophobicContact CD1-CE 3.43Å; L146-M224 VanDerWaalsContact CD1-CE 3.43Å; L146-M224 HydrophobicContact CD1-CG 4.49Å; L146-M224 HydrophobicContact CD1-SD 3.77Å; L146-M224 HydrophobicContact CD2-CE 4.36Å
147H98.9Very high98.6Very high61 Ų6125.8 Ų25.828%0.28215%0.145SC..Hα-helixtrans-60.5-45.3175.9-81.9-72.1000113T143 V144 N145 L149 M150 L151 S179 Q180T143-H147 PolarHBondContact O-CD2 3.18Å; T143-H147 PolarHBondContact O-N 3.38Å; V144-H147 WeakPolarHBondContact O-CB 3.21Å; V144-H147 PolarHBondContact O-N 2.89Å; N145-H147 VanDerWaalsContact C-N 3.3Å; N145-H147 PolarHBondContact O-N 2.91Å; H147-L149 VanDerWaalsContact C-N 3.34Å; H147-L149 PolarHBondContact O-N 3.25Å; H147-M150 PolarHBondContact O-N 3.17Å; H147-L151 WeakPolarHBondContact O-CB 3.4Å; H147-L151 VanDerWaalsContact O-CG 3.25Å; H147-L151 WeakPolarHBondContact O-CG 3.21Å; H147-L151 PolarHBondContact O-N 3.45Å; H147-S179 PolarHBondContact CE1-OG 3.09Å; H147-Q180 PolarHBondContact ND1-NE2 2.55Å; H147-Q180 PolarHBondContact O-NE2 2.89Å
148L98.9Very high98.6Very high15 Ų1531.4 Ų31.48%0.07918%0.181CC..Hα-helixtrans-62-42-179.7-64.7179.4000112.1V144 N145 L146 S152 L307 L336V144-L148 HydrophobicContact CG1-CD1 4.44Å; V144-L148 WeakPolarHBondContact O-CG 3.37Å; V144-L148 PolarHBondContact O-N 2.69Å; N145-L148 PolarHBondContact O-N 3.12Å; L146-L148 PolarHBondContact O-N 3.11Å; L148-S152 PolarHBondContact O-OG 3.07Å; L148-L307 HydrophobicContact CD2-CB 4.48Å; L148-L307 HydrophobicContact CD2-CD1 3.89Å; L148-L336 HydrophobicContact CD1-CD1 4.24Å; L148-L336 HydrophobicContact CD1-CG 4.41Å; L148-L336 HydrophobicContact CD2-CD1 4.01Å
149L98.9Very high98.6Very high0 Ų036.5 Ų36.50%021%0.212CC..Hα-helixtrans-65.3-52.1176-65.1168.9000110.2N145 L146 H147 L151 S152 F153 F274 A275 C276 A293 I295 F334N145-L149 VanDerWaalsContact O-CG 3.25Å; N145-L149 WeakPolarHBondContact O-CG 3.44Å; N145-L149 PolarHBondContact O-N 3.4Å; L146-L149 PolarHBondContact O-N 3.02Å; H147-L149 VanDerWaalsContact C-N 3.34Å; H147-L149 PolarHBondContact O-N 3.25Å; L149-L151 VanDerWaalsContact C-N 3.31Å; L149-L151 PolarHBondContact O-N 3.22Å; L149-S152 PolarHBondContact O-N 3.25Å; L149-F153 HydrophobicContact CD2-CE2 4.48Å; L149-F153 WeakPolarHBondContact O-CD2 3.05Å; L149-F153 PolarHBondContact O-N 3.25Å; L149-F274 HydrophobicContact CB-CD2 3.87Å; L149-F274 HydrophobicContact CB-CE2 4.27Å; L149-F274 HydrophobicContact CB-CG 4.41Å; L149-F274 HydrophobicContact CD1-CB 4.44Å; L149-F274 HydrophobicContact CD1-CD2 3.86Å; L149-F274 HydrophobicContact CD2-CB 4.27Å; L149-F274 HydrophobicContact CG-CD2 4.35Å; L149-A275 WeakPolarHBondContact CD1-O 3.39Å; L149-C276 HydrophobicContact CD1-CB 4.01Å; L149-A293 HydrophobicContact CD1-CB 4.25Å; L149-I295 HydrophobicContact CD2-CD1 3.63Å; L149-I295 HydrophobicContact CD2-CG1 3.59Å; L149-F334 HydrophobicContact CD2-CD1 4.41Å; L149-F334 HydrophobicContact CD2-CE1 4.43Å
150M98.9Very high98.7Very high0 Ų039.2 Ų39.20%022%0.222CC..Hα-helixtrans-61.6-35.5-178.8-72.4-175.976.100113.1L146 H147 S152 F153 Y154 I163 I177 Q180 M222L146-M150 HydrophobicContact CD1-CG 3.87Å; L146-M150 HydrophobicContact CD1-SD 3.78Å; L146-M150 HydrophobicContact CD2-SD 4.49Å; L146-M150 HydrophobicContact CG-CG 4.34Å; L146-M150 HydrophobicContact CG-SD 3.87Å; L146-M150 WeakPolarHBondContact O-CB 3.36Å; L146-M150 VanDerWaalsContact O-CG 3.26Å; L146-M150 WeakPolarHBondContact O-CG 3.44Å; L146-M150 PolarHBondContact O-N 3.26Å; H147-M150 PolarHBondContact O-N 3.17Å; M150-S152 PolarHBondContact O-N 2.97Å; M150-S152 VanDerWaalsContact O-N 3.09Å; M150-F153 PolarHBondContact O-N 3.37Å; M150-Y154 WeakPolarHBondContact O-CA 3.37Å; M150-Y154 WeakPolarHBondContact O-CB 3.3Å; M150-Y154 PolarHBondContact O-N 3.11Å; M150-I163 HydrophobicContact CE-CD1 3.56Å; M150-I177 HydrophobicContact CE-CG1 4.01Å; M150-I177 HydrophobicContact SD-CG1 4.3Å; M150-Q180 HydrophobicContact CB-CG 3.98Å; M150-Q180 HydrophobicContact CE-CB 3.79Å; M150-Q180 HydrophobicContact CE-CG 3.82Å; M150-Q180 HydrophobicContact SD-CG 3.96Å; M150-M222 HydrophobicContact CE-SD 4.05Å; M150-M222 HydrophobicContact CG-CE 4.47Å; M150-M222 HydrophobicContact CG-SD 4.14Å
151L98.9Very high98.7Very high29 Ų2938.1 Ų38.115%0.15222%0.215CC..Hα-helixtrans-56.4-29.6175-78.6171.3000112.5H147 L149 L183 R184 A306 L307H147-L151 WeakPolarHBondContact O-CB 3.4Å; H147-L151 VanDerWaalsContact O-CG 3.25Å; H147-L151 WeakPolarHBondContact O-CG 3.21Å; H147-L151 PolarHBondContact O-N 3.45Å; L149-L151 VanDerWaalsContact C-N 3.31Å; L149-L151 PolarHBondContact O-N 3.22Å; L151-L183 HydrophobicContact CD2-CD2 3.67Å; L151-R184 PolarHBondContact O-NH2 2.87Å; L151-A306 HydrophobicContact CB-CB 3.67Å; L151-A306 HydrophobicContact CD1-CB 4.47Å; L151-L307 HydrophobicContact CD1-CD1 3.79Å; L151-L307 HydrophobicContact CD1-CG 3.96Å
152S98.8Very high98.7Very high4 Ų438.9 Ų38.93%0.02821%0.21CC..Hα-helixtrans-99.8-33-175.6-49.30000112.9L148 L149 M150 K155 K304 A306 F334L148-S152 PolarHBondContact O-OG 3.07Å; L149-S152 PolarHBondContact O-N 3.25Å; M150-S152 PolarHBondContact O-N 2.97Å; M150-S152 VanDerWaalsContact O-N 3.09Å; S152-K155 WeakPolarHBondContact O-CE 3.28Å; S152-K304 WeakPolarHBondContact CB-O 3.48Å; S152-K304 PolarHBondContact OG-O 2.9Å; S152-A306 PolarHBondContact OG-N 3.2Å; S152-A306 VanDerWaalsContact OG-N 3.14Å; S152-F334 VanDerWaalsContact OG-CE1 3.25Å; S152-F334 WeakPolarHBondContact OG-CE1 3.47Å
153F98.8Very high98.7Very high1 Ų137.9 Ų37.90%0.00421%0.205CC..Hα-helixtrans-90.6-34.5179.6-79.2-84.5000113.7L149 M150 K155 M222 F251 D273 F274 I295 H299 I303L149-F153 HydrophobicContact CD2-CE2 4.48Å; L149-F153 WeakPolarHBondContact O-CD2 3.05Å; L149-F153 PolarHBondContact O-N 3.25Å; M150-F153 PolarHBondContact O-N 3.37Å; F153-K155 PolarHBondContact O-N 3.19Å; F153-K155 VanDerWaalsContact O-N 3.15Å; F153-M222 HydrophobicContact CB-CE 3.4Å; F153-F251 HydrophobicContact CD1-CB 4.31Å; F153-F251 AromaticContact CD1-CD1 3.69Å; F153-F251 HydrophobicContact CD1-CD1 3.69Å; F153-F251 HydrophobicContact CD1-CD2 4.23Å; F153-F251 AromaticContact CD1-CE1 3.98Å; F153-F251 HydrophobicContact CD1-CE1 3.98Å; F153-F251 HydrophobicContact CD1-CE2 4.5Å; F153-F251 AromaticContact CD1-CG 3.82Å; F153-F251 HydrophobicContact CD1-CG 3.82Å; F153-F251 HydrophobicContact CD1-CZ 4.38Å; F153-F251 HydrophobicContact CE1-CD1 4.02Å; F153-F251 HydrophobicContact CE1-CE1 4.15Å; F153-F251 WeakPolarHBondContact O-CD2 3.42Å; F153-D273 HydrophobicContact CE1-CB 4.03Å; F153-F274 HydrophobicContact CB-CD1 4.12Å; F153-F274 HydrophobicContact CB-CE1 3.87Å; F153-F274 AromaticContact CD1-CD1 3.8Å; F153-F274 HydrophobicContact CD1-CD1 3.8Å; F153-F274 HydrophobicContact CD1-CE1 4.21Å; F153-F274 HydrophobicContact CD2-CB 4.19Å; F153-F274 AromaticContact CD2-CD1 3.61Å; F153-F274 HydrophobicContact CD2-CD1 3.61Å; F153-F274 HydrophobicContact CD2-CE1 4.2Å; F153-F274 AromaticContact CD2-CG 3.94Å; F153-F274 HydrophobicContact CD2-CG 3.94Å; F153-F274 HydrophobicContact CE1-CD1 4.04Å; F153-F274 HydrophobicContact CE2-CB 3.71Å; F153-F274 AromaticContact CE2-CD1 3.88Å; F153-F274 HydrophobicContact CE2-CD1 3.88Å; F153-F274 AromaticContact CE2-CG 3.99Å; F153-F274 HydrophobicContact CE2-CG 3.99Å; F153-F274 AromaticContact CG-CD1 3.57Å; F153-F274 HydrophobicContact CG-CD1 3.57Å; F153-F274 AromaticContact CG-CE1 3.85Å; F153-F274 HydrophobicContact CG-CE1 3.85Å; F153-F274 HydrophobicContact CG-CG 4.36Å; F153-F274 HydrophobicContact CZ-CB 4.01Å; F153-F274 HydrophobicContact CZ-CD1 4.08Å; F153-F274 HydrophobicContact CZ-CG 4.43Å; F153-I295 HydrophobicContact CE2-CD1 4.16Å; F153-I295 HydrophobicContact CE2-CG1 4.2Å; F153-I295 HydrophobicContact CE2-CG2 4.4Å; F153-I295 HydrophobicContact CZ-CG2 3.99Å; F153-H299 AromaticContact CE1-CD2 3.66Å; F153-H299 AromaticContact CE1-NE2 3.9Å; F153-H299 HydrophobicContact CZ-CB 4.4Å; F153-H299 AromaticContact CZ-CD2 3.85Å; F153-I303 HydrophobicContact CD1-CG1 4.44Å; F153-I303 HydrophobicContact CD1-CG2 4.47Å; F153-I303 HydrophobicContact CD2-CG2 4.15Å; F153-I303 HydrophobicContact CE1-CD1 4.45Å; F153-I303 HydrophobicContact CE1-CG1 3.9Å; F153-I303 HydrophobicContact CE1-CG2 4.2Å; F153-I303 HydrophobicContact CE2-CG2 3.85Å; F153-I303 HydrophobicContact CG-CG2 4.45Å; F153-I303 HydrophobicContact CZ-CB 4.3Å; F153-I303 HydrophobicContact CZ-CG1 4.16Å; F153-I303 HydrophobicContact CZ-CG2 3.88Å
154Y98.7Very high98.7Very high0 Ų036 Ų360%019%0.193CC..  trans-84.893.1179.8-178.5-121.6000110.8M150 P156 H161 I163 Q180 I181 R184 A221 M222M150-Y154 WeakPolarHBondContact O-CA 3.37Å; M150-Y154 WeakPolarHBondContact O-CB 3.3Å; M150-Y154 PolarHBondContact O-N 3.11Å; Y154-P156 VanDerWaalsContact C-CD 3.43Å; Y154-P156 HydrophobicContact CD1-CG 4.37Å; Y154-P156 HydrophobicContact CE1-CB 4.41Å; Y154-P156 HydrophobicContact CE1-CG 3.81Å; Y154-P156 HydrophobicContact CE2-CB 3.84Å; Y154-P156 HydrophobicContact CE2-CG 4.09Å; Y154-P156 VanDerWaalsContact O-CD 3.27Å; Y154-P156 WeakPolarHBondContact O-CD 3.27Å; Y154-H161 WeakPolarHBondContact CE2-O 3.49Å; Y154-H161 PolarHBondContact OH-O 3.43Å; Y154-I163 HydrophobicContact CD1-CD1 4.09Å; Y154-I163 HydrophobicContact CD2-CD1 3.69Å; Y154-I163 HydrophobicContact CD2-CG1 3.8Å; Y154-I163 HydrophobicContact CE1-CD1 4.03Å; Y154-I163 HydrophobicContact CE2-CD1 3.64Å; Y154-I163 HydrophobicContact CE2-CG1 3.48Å; Y154-I163 VanDerWaalsContact CE2-CG1 3.48Å; Y154-I163 HydrophobicContact CG-CD1 3.92Å; Y154-Q180 HydrophobicContact CD1-CB 4.39Å; Y154-I181 HydrophobicContact CE1-CG1 4.23Å; Y154-R184 HydrophobicContact CD1-CG 3.95Å; Y154-R184 HydrophobicContact CE1-CB 4.18Å; Y154-R184 HydrophobicContact CE1-CG 3.73Å; Y154-R184 PolarHBondContact O-NE 2.94Å; Y154-A221 HydrophobicContact CD2-CB 4Å; Y154-A221 HydrophobicContact CE2-CB 3.95Å; Y154-M222 HydrophobicContact CD2-CB 4.45Å
155K97.8Very high98.7Very high125 Ų12532.5 Ų32.554%0.54317%0.172SC..  trans-115.371.2178.4-57.1-178.3-163.5176.90110.1S152 F153S152-K155 WeakPolarHBondContact O-CE 3.28Å; F153-K155 PolarHBondContact O-N 3.19Å; F153-K155 VanDerWaalsContact O-N 3.15Å
156P98.4Very high98.7Very high25 Ų2533 Ų3316%0.16218%0.175CC..  trans-65.7150.7-173.829.1-36.9000112.3Y154 R160 H161 R184 F186Y154-P156 VanDerWaalsContact C-CD 3.43Å; Y154-P156 HydrophobicContact CD1-CG 4.37Å; Y154-P156 HydrophobicContact CE1-CB 4.41Å; Y154-P156 HydrophobicContact CE1-CG 3.81Å; Y154-P156 HydrophobicContact CE2-CB 3.84Å; Y154-P156 HydrophobicContact CE2-CG 4.09Å; Y154-P156 VanDerWaalsContact O-CD 3.27Å; Y154-P156 WeakPolarHBondContact O-CD 3.27Å; P156-R160 CarbonylContact C-O 3.43Å; P156-R160 WeakPolarHBondContact CA-O 3.01Å; P156-H161 HydrophobicContact CB-CB 3.65Å; P156-R184 HydrophobicContact CG-CB 3.65Å; P156-R184 HydrophobicContact CG-CG 3.8Å; P156-F186 HydrophobicContact CB-CD2 4.1Å; P156-F186 HydrophobicContact CB-CE2 3.61Å; P156-F186 HydrophobicContact CB-CZ 4.05Å; P156-F186 HydrophobicContact CG-CD2 3.92Å; P156-F186 HydrophobicContact CG-CE2 3.58Å; P156-F186 HydrophobicContact CG-CZ 4.48Å
157T98.7Very high98.5Very high61 Ų6134.3 Ų34.337%0.37418%0.183SC..  trans-120.7168.2169.673.90000109.7T159 R160 H161T157-T159 PolarHBondContact O-N 3.41Å; T157-T159 PolarHBondContact OG1-N 3.08Å; T157-T159 PolarHBondContact OG1-OG1 3.4Å; T157-R160 PolarHBondContact N-O 3.03Å; T157-R160 CarbonylContact O-C 3.54Å; T157-R160 PolarHBondContact O-N 2.96Å; T157-R160 PolarHBondContact OG1-N 3.06Å; T157-H161 WeakPolarHBondContact O-CB 3.34Å
158P98.1Very high98.3Very high118 Ų11839.6 Ų39.677%0.76621%0.205SC*.SBendtrans-55.3-26.5177.1-28.136.6000114.7
159T98.2Very high98.2Very high106 Ų10639.1 Ų39.165%0.6520%0.204SC*.SBendtrans-104.2-16.9-178.854.30000113.9T157 V219T157-T159 PolarHBondContact O-N 3.41Å; T157-T159 PolarHBondContact OG1-N 3.08Å; T157-T159 PolarHBondContact OG1-OG1 3.4Å; T159-V219 WeakPolarHBondContact O-CA 3.47Å; T159-V219 WeakPolarHBondContact O-CG1 3.35Å
160R98.8Very high98.2Very high64 Ų6442.6 Ų42.624%0.24222%0.219CC..SBendtrans-136.188-179.2-175.1-174.7-71.2-93.84110P156 T157 G217 D218 V219 I220 A221 K248P156-R160 CarbonylContact C-O 3.43Å; P156-R160 WeakPolarHBondContact CA-O 3.01Å; T157-R160 PolarHBondContact N-O 3.03Å; T157-R160 CarbonylContact O-C 3.54Å; T157-R160 PolarHBondContact O-N 2.96Å; T157-R160 PolarHBondContact OG1-N 3.06Å; R160-G217 PolarHBondContact NH1-O 2.79Å; R160-D218 VanDerWaalsContact CZ-O 3.29Å; R160-D218 PolarHBondContact NE-O 3.22Å; R160-D218 PolarHBondContact NH2-O 3Å; R160-V219 CarbonylContact C-O 3.56Å; R160-V219 WeakPolarHBondContact CA-O 3.23Å; R160-I220 WeakPolarHBondContact CD-O 3.37Å; R160-I220 VanDerWaalsContact CG-O 3.28Å; R160-I220 WeakPolarHBondContact CG-O 3.22Å; R160-I220 PolarHBondContact NH1-O 3.3Å; R160-A221 HydrophobicContact CG-CB 4.13Å; R160-K248 PolarHBondContact NH1-O 3.3Å; R160-K248 PolarHBondContact NH2-O 3.43Å
161H98.8Very high98.2Very high29 Ų2945.3 Ų45.313%0.13424%0.237CC..  trans-135.4-5.9-174.562.288.4000114.2Y154 P156 T157 F186 S191 V219Y154-H161 WeakPolarHBondContact CE2-O 3.49Å; Y154-H161 PolarHBondContact OH-O 3.43Å; P156-H161 HydrophobicContact CB-CB 3.65Å; T157-H161 WeakPolarHBondContact O-CB 3.34Å; H161-F186 HydrophobicContact CB-CD1 3.65Å; H161-F186 HydrophobicContact CB-CD2 4.44Å; H161-F186 HydrophobicContact CB-CE1 3.41Å; H161-F186 VanDerWaalsContact CB-CE1 3.41Å; H161-F186 HydrophobicContact CB-CE2 4.26Å; H161-F186 HydrophobicContact CB-CG 4.17Å; H161-F186 HydrophobicContact CB-CZ 3.75Å; H161-F186 AromaticContact CD2-CE1 3.84Å; H161-F186 AromaticContact CG-CD1 3.56Å; H161-F186 AromaticContact CG-CE1 3.48Å; H161-F186 VanDerWaalsContact CG-CE1 3.48Å; H161-F186 AromaticContact ND1-CD1 3.66Å; H161-S191 PolarHBondContact CE1-OG 3.16Å; H161-S191 PolarHBondContact ND1-OG 2.72Å; H161-V219 PolarHBondContact N-O 3.11Å; H161-V219 VanDerWaalsContact N-O 3.07Å
162K98.9Very high98.2Very high45 Ų4545.5 Ų45.520%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-73.6145.7-178.1-59.2-167.4-174.2178.70111.5S191 L193 E216 V219 I220 A221 M222K162-S191 CarbonylContact C-O 3.55Å; K162-S191 VanDerWaalsContact CA-O 3.26Å; K162-S191 WeakPolarHBondContact CA-O 3.09Å; K162-L193 HydrophobicContact CB-CB 4.49Å; K162-L193 HydrophobicContact CD-CB 4.23Å; K162-L193 HydrophobicContact CD-CD2 4.28Å; K162-E216 IonicContact NZ-OE2 2.81Å; K162-E216 PolarHBondContact NZ-OE2 3.46Å; K162-V219 HydrophobicContact CD-CG2 3.8Å; K162-V219 HydrophobicContact CG-CG2 4.24Å; K162-V219 PolarHBondContact N-O 2.85Å; K162-I220 HydrophobicContact CB-CG1 4.23Å; K162-I220 WeakPolarHBondContact O-CA 3.37Å; K162-A221 PolarHBondContact O-N 2.79Å; K162-M222 PolarHBondContact O-N 2.87Å
163I98.9Very high98.2Very high0 Ų046 Ų460%024%0.243CC..EExtended strand (participates in β ladder)trans-109.3120.7164.6-56-175.4000107.4M150 Y154 I177 I181 S191 L193 M222 M224M150-I163 HydrophobicContact CE-CD1 3.56Å; Y154-I163 HydrophobicContact CD1-CD1 4.09Å; Y154-I163 HydrophobicContact CD2-CD1 3.69Å; Y154-I163 HydrophobicContact CD2-CG1 3.8Å; Y154-I163 HydrophobicContact CE1-CD1 4.03Å; Y154-I163 HydrophobicContact CE2-CD1 3.64Å; Y154-I163 HydrophobicContact CE2-CG1 3.48Å; Y154-I163 VanDerWaalsContact CE2-CG1 3.48Å; Y154-I163 HydrophobicContact CG-CD1 3.92Å; I163-I177 HydrophobicContact CB-CG2 4.08Å; I163-I177 HydrophobicContact CD1-CG2 4.07Å; I163-I177 HydrophobicContact CG2-CD1 4.39Å; I163-I177 HydrophobicContact CG2-CG1 4.43Å; I163-I177 HydrophobicContact CG2-CG2 3.93Å; I163-I181 HydrophobicContact CB-CD1 4.45Å; I163-I181 HydrophobicContact CD1-CD1 4.18Å; I163-I181 HydrophobicContact CD1-CG1 3.9Å; I163-I181 HydrophobicContact CG1-CD1 4.31Å; I163-I181 HydrophobicContact CG1-CG1 4.32Å; I163-S191 PolarHBondContact N-O 3.14Å; I163-L193 PolarHBondContact O-N 3.28Å; I163-M222 CarbonylContact C-O 3.5Å; I163-M222 VanDerWaalsContact CA-O 3.29Å; I163-M222 WeakPolarHBondContact CA-O 3.14Å; I163-M222 HydrophobicContact CG1-CB 4.38Å; I163-M222 HydrophobicContact CG2-CB 4.49Å; I163-M224 HydrophobicContact CG2-CB 4.04Å
164L98.9Very high98.2Very high0 Ų048.3 Ų48.30%025%0.254CS..EExtended strand (participates in β ladder)trans-85.4126.9174.7-17972.4000109.5L193 L195 V212 I213 I220 M222 V223 M224L164-L193 WeakPolarHBondContact CA-O 3.23Å; L164-L193 HydrophobicContact CD1-CB 4.2Å; L164-L193 HydrophobicContact CD1-CD2 3.74Å; L164-L193 HydrophobicContact CD1-CG 3.69Å; L164-L193 WeakPolarHBondContact CD1-O 3.5Å; L164-L195 HydrophobicContact CD1-CD1 3.82Å; L164-L195 HydrophobicContact CD1-CD2 4.07Å; L164-L195 HydrophobicContact CD1-CG 3.69Å; L164-L195 HydrophobicContact CD2-CD1 4.19Å; L164-L195 HydrophobicContact CG-CD1 3.98Å; L164-L195 HydrophobicContact CG-CG 4.39Å; L164-V212 HydrophobicContact CD1-CG1 3.84Å; L164-I213 HydrophobicContact CD2-CD1 4.04Å; L164-I213 HydrophobicContact CD2-CG1 3.47Å; L164-I213 VanDerWaalsContact CD2-CG1 3.47Å; L164-I220 HydrophobicContact CB-CD1 4.18Å; L164-I220 HydrophobicContact CB-CG2 4.22Å; L164-I220 HydrophobicContact CD2-CD1 4.33Å; L164-M222 PolarHBondContact N-O 2.89Å; L164-V223 HydrophobicContact CB-CG2 4.23Å; L164-V223 HydrophobicContact CD2-CG1 4.12Å; L164-V223 HydrophobicContact CD2-CG2 3.99Å; L164-M224 PolarHBondContact O-N 3.42Å
165L98.9Very high98.2Very high0 Ų055.3 Ų55.30%028%0.281CS..EExtended strand (participates in β ladder)trans-145.1169.8177.872166.8000110.7A169 I177 M192 L193 M194 L195 M224L165-A169 HydrophobicContact CD1-CB 4.41Å; L165-I177 HydrophobicContact CB-CD1 4.04Å; L165-I177 HydrophobicContact CD1-CD1 3.69Å; L165-I177 HydrophobicContact CD1-CG2 4.42Å; L165-I177 HydrophobicContact CG-CD1 4.4Å; L165-M192 HydrophobicContact CD1-CE 3.74Å; L165-M192 HydrophobicContact CD2-CB 4.22Å; L165-M192 HydrophobicContact CD2-CE 4.31Å; L165-L193 PolarHBondContact N-O 3.02Å; L165-M194 HydrophobicContact CD1-CG 4.37Å; L165-M194 HydrophobicContact CD2-CG 3.58Å; L165-M194 HydrophobicContact CG-CG 3.9Å; L165-M194 CarbonylContact O-C 3.59Å; L165-M194 WeakPolarHBondContact O-CA 3.21Å; L165-L195 PolarHBondContact O-N 3.06Å; L165-M224 WeakPolarHBondContact CA-O 3.29Å; L165-M224 WeakPolarHBondContact CB-O 3.49Å
166E98.4Very high98.2Very high11 Ų1149.4 Ų49.45%0.05126%0.256CS..EExtended strand (participates in β ladder)trans-81.6147.8171.983.3-72.4-167.200112A169 L204 L225 P226 Q229E166-A169 HydrophobicContact CG-CB 4.29Å; E166-A169 PolarHBondContact O-N 2.94Å; E166-A169 WeakPolarHBondContact OE1-CA 3.43Å; E166-A169 WeakPolarHBondContact OE1-CB 3.1Å; E166-L204 HydrophobicContact CB-CD1 3.85Å; E166-L225 HydrophobicContact CB-CD2 3.99Å; E166-L225 VanDerWaalsContact N-CD2 3.32Å; E166-P226 WeakPolarHBondContact OE1-CD 3.42Å; E166-P226 VanDerWaalsContact OE1-CG 3.28Å; E166-P226 WeakPolarHBondContact OE1-CG 3.45Å; E166-P226 WeakPolarHBondContact OE2-CD 3.48Å; E166-Q229 HydrophobicContact CG-CG 4.36Å
167S95.3Very high98.2Very high27 Ų2748.3 Ų48.319%0.18925%0.249CC..THydrogen-bonded Turntrans-69.4144170.975.30000110A169 L195 S196S167-A169 PolarHBondContact O-N 3.4Å; S167-L195 VanDerWaalsContact CB-O 3.29Å; S167-L195 WeakPolarHBondContact CB-O 3.48Å; S167-L195 PolarHBondContact N-O 3.39Å; S167-L195 PolarHBondContact OG-O 3.37Å; S167-S196 VanDerWaalsContact CB-OG 3.25Å; S167-S196 WeakPolarHBondContact CB-OG 3.46Å; S167-S196 WeakPolarHBondContact OG-CA 3.48Å; S167-S196 PolarHBondContact OG-OG 2.95Å
168K94.5Very high98.3Very high171 Ų17147.8 Ų47.874%0.74324%0.242SC*.THydrogen-bonded Turntrans55.339.2-171.8-53.5177.6179.71750112.7Q229K168-Q229 PolarHBondContact O-NE2 2.99Å
169A97.1Very high98.3Very high6 Ų644.6 Ų44.65%0.0522%0.222CC..  trans-50.3162.516600000111.9L165 E166 S167L165-A169 HydrophobicContact CD1-CB 4.41Å; E166-A169 HydrophobicContact CG-CB 4.29Å; E166-A169 PolarHBondContact O-N 2.94Å; E166-A169 WeakPolarHBondContact OE1-CA 3.43Å; E166-A169 WeakPolarHBondContact OE1-CB 3.1Å; S167-A169 PolarHBondContact O-N 3.4Å
170F98.2Very high98.3Very high72 Ų7239.6 Ų39.632%0.31619%0.192SC..  trans-55.4134.7173.2-174.6-101.5000109.2S172 D173 H174 Y230F170-S172 PolarHBondContact O-N 2.82Å; F170-S172 VanDerWaalsContact O-N 3.09Å; F170-D173 WeakPolarHBondContact CD1-OD2 3.27Å; F170-D173 PolarHBondContact O-N 3.13Å; F170-H174 PolarHBondContact O-N 3.15Å; F170-H174 VanDerWaalsContact O-N 3.09Å; F170-Y230 HydrophobicContact CB-CD1 3.98Å; F170-Y230 HydrophobicContact CB-CE1 4.28Å; F170-Y230 HydrophobicContact CD2-CD1 4.09Å; F170-Y230 HydrophobicContact CD2-CD2 4.07Å; F170-Y230 HydrophobicContact CD2-CE1 4.34Å; F170-Y230 HydrophobicContact CD2-CE2 4.33Å; F170-Y230 AromaticContact CD2-CG 3.95Å; F170-Y230 HydrophobicContact CD2-CG 3.95Å
171P98.4Very high98.3Very high57 Ų5736.6 Ų36.637%0.3718%0.18SC..Hα-helixtrans-55.6-37.3-168.9-3035.8000113.7H174 Y175P171-H174 WeakPolarHBondContact O-CB 3.43Å; P171-H174 PolarHBondContact O-N 3.24Å; P171-Y175 HydrophobicContact CB-CE2 3.93Å; P171-Y175 WeakPolarHBondContact O-CD2 3.22Å; P171-Y175 PolarHBondContact O-N 3.07Å
172S98.7Very high98.3Very high34 Ų3441.3 Ų41.324%0.23820%0.197CC..Hα-helixtrans-66.3-39.1-179.6-162.70000113T143 F170 A176T143-S172 WeakPolarHBondContact CB-OG 3.43Å; T143-S172 WeakPolarHBondContact CG2-OG 3.26Å; T143-S172 PolarHBondContact OG1-OG 3.43Å; F170-S172 PolarHBondContact O-N 2.82Å; F170-S172 VanDerWaalsContact O-N 3.09Å; S172-A176 WeakPolarHBondContact O-CB 3.45Å; S172-A176 PolarHBondContact O-N 2.85Å
173D98.9Very high98.3Very high13 Ų1344.4 Ų44.47%0.0722%0.215CC..Hα-helixtrans-66.8-43.4176-60.4-120.3000110.4L146 F170 Y175 A176 I177 D255L146-D173 HydrophobicContact CD2-CB 4.44Å; F170-D173 WeakPolarHBondContact CD1-OD2 3.27Å; F170-D173 PolarHBondContact O-N 3.13Å; D173-Y175 PolarHBondContact O-N 3.25Å; D173-A176 PolarHBondContact O-N 3.32Å; D173-I177 WeakPolarHBondContact O-CB 3.49Å; D173-I177 WeakPolarHBondContact O-CG1 3.35Å; D173-I177 PolarHBondContact O-N 2.97Å; D173-D255 VanDerWaalsContact OD1-CB 3.25Å; D173-D255 WeakPolarHBondContact OD1-CB 3.5Å
174H98.8Very high98.3Very high50 Ų5048.4 Ų48.423%0.23123%0.23CC..Hα-helixtrans-56.2-50175-173.793.7000111.2F170 P171 A176 I177 E178F170-H174 PolarHBondContact O-N 3.15Å; F170-H174 VanDerWaalsContact O-N 3.09Å; P171-H174 WeakPolarHBondContact O-CB 3.43Å; P171-H174 PolarHBondContact O-N 3.24Å; H174-A176 PolarHBondContact O-N 3.42Å; H174-I177 PolarHBondContact O-N 2.89Å; H174-E178 WeakPolarHBondContact O-CB 3.42Å; H174-E178 PolarHBondContact O-N 3.43Å
175Y98.9Very high98.3Very high147 Ų14751.8 Ų51.858%0.57627%0.265SS*.Hα-helixtrans-66.4-35.4177.8-57.3-35.2000112.8P171 D173 S179P171-Y175 HydrophobicContact CB-CE2 3.93Å; P171-Y175 WeakPolarHBondContact O-CD2 3.22Å; P171-Y175 PolarHBondContact O-N 3.07Å; D173-Y175 PolarHBondContact O-N 3.25Å; Y175-S179 WeakPolarHBondContact O-CB 3.22Å; Y175-S179 PolarHBondContact O-N 3.19Å; Y175-S179 PolarHBondContact O-OG 2.68Å
176A98.9Very high98.3Very high1 Ų154.3 Ų54.31%0.00828%0.276CS..Hα-helixtrans-64.3-46.3175.600000111.2T143 L146 S172 D173 H174 S179 Q180T143-A176 HydrophobicContact CG2-CB 4Å; L146-A176 HydrophobicContact CD2-CB 3.81Å; L146-A176 HydrophobicContact CG-CB 4.39Å; S172-A176 WeakPolarHBondContact O-CB 3.45Å; S172-A176 PolarHBondContact O-N 2.85Å; D173-A176 PolarHBondContact O-N 3.32Å; H174-A176 PolarHBondContact O-N 3.42Å; A176-S179 PolarHBondContact O-OG 2.9Å; A176-S179 VanDerWaalsContact O-OG 3.06Å; A176-Q180 WeakPolarHBondContact O-CB 3.4Å; A176-Q180 WeakPolarHBondContact O-CG 3.24Å; A176-Q180 PolarHBondContact O-N 2.79Å
177I98.9Very high98.3Very high3 Ų356 Ų562%0.01529%0.289CS..Hα-helixtrans-62.9-48.4176.9-69.9167000110.8M150 I163 L165 D173 H174 S179 Q180 I181 M192 M224M150-I177 HydrophobicContact CE-CG1 4.01Å; M150-I177 HydrophobicContact SD-CG1 4.3Å; I163-I177 HydrophobicContact CB-CG2 4.08Å; I163-I177 HydrophobicContact CD1-CG2 4.07Å; I163-I177 HydrophobicContact CG2-CD1 4.39Å; I163-I177 HydrophobicContact CG2-CG1 4.43Å; I163-I177 HydrophobicContact CG2-CG2 3.93Å; L165-I177 HydrophobicContact CB-CD1 4.04Å; L165-I177 HydrophobicContact CD1-CD1 3.69Å; L165-I177 HydrophobicContact CD1-CG2 4.42Å; L165-I177 HydrophobicContact CG-CD1 4.4Å; D173-I177 WeakPolarHBondContact O-CB 3.49Å; D173-I177 WeakPolarHBondContact O-CG1 3.35Å; D173-I177 PolarHBondContact O-N 2.97Å; H174-I177 PolarHBondContact O-N 2.89Å; I177-S179 PolarHBondContact O-N 3.45Å; I177-Q180 PolarHBondContact O-N 3.04Å; I177-I181 HydrophobicContact CG2-CD1 3.89Å; I177-I181 WeakPolarHBondContact O-CG1 3.4Å; I177-I181 PolarHBondContact O-N 3.01Å; I177-M192 HydrophobicContact CB-CE 4.41Å; I177-M192 HydrophobicContact CG2-CE 3.91Å; I177-M192 HydrophobicContact CG2-CG 4.2Å; I177-M192 HydrophobicContact CG2-SD 4.45Å; I177-M224 HydrophobicContact CD1-CB 4.1Å; I177-M224 HydrophobicContact CD1-CG 3.92Å; I177-M224 HydrophobicContact CG1-CG 4.43Å
178E98.9Very high98.4Very high49 Ų4955.1 Ų55.123%0.22928%0.283CS..Hα-helixtrans-58-48.8179.4-169.7-169.2160.100111.4H174 Q180 I181 R182 P188 M192H174-E178 WeakPolarHBondContact O-CB 3.42Å; H174-E178 PolarHBondContact O-N 3.43Å; E178-Q180 PolarHBondContact O-N 3.12Å; E178-I181 PolarHBondContact O-N 2.95Å; E178-R182 WeakPolarHBondContact O-CG 3.35Å; E178-R182 PolarHBondContact O-N 2.77Å; E178-R182 IonicContact OE1-CZ 3.07Å; E178-R182 VanDerWaalsContact OE1-CZ 3.27Å; E178-R182 IonicContact OE1-NE 2.62Å; E178-R182 PolarHBondContact OE1-NE 2.96Å; E178-R182 IonicContact OE1-NH2 3.29Å; E178-R182 PolarHBondContact OE1-NH2 3.03Å; E178-P188 HydrophobicContact CG-CB 3.9Å; E178-P188 HydrophobicContact CG-CG 3.57Å; E178-M192 HydrophobicContact CB-SD 3.9Å; E178-M192 HydrophobicContact CG-SD 4.12Å
179S98.9Very high98.6Very high51 Ų5154.1 Ų54.136%0.35728%0.28SS..Hα-helixtrans-68.4-33.9-179.256.90000112.9H147 Y175 A176 I177 R182 L183H147-S179 PolarHBondContact CE1-OG 3.09Å; Y175-S179 WeakPolarHBondContact O-CB 3.22Å; Y175-S179 PolarHBondContact O-N 3.19Å; Y175-S179 PolarHBondContact O-OG 2.68Å; A176-S179 PolarHBondContact O-OG 2.9Å; A176-S179 VanDerWaalsContact O-OG 3.06Å; I177-S179 PolarHBondContact O-N 3.45Å; S179-R182 PolarHBondContact O-N 3.47Å; S179-L183 VanDerWaalsContact O-CB 3.23Å; S179-L183 WeakPolarHBondContact O-CB 3.5Å; S179-L183 PolarHBondContact O-N 3.43Å
180Q98.9Very high98.6Very high2 Ų256.8 Ų56.81%0.00930%0.299CS..Hα-helixtrans-65.2-39.6173.1-73-75-3.500112.2H147 M150 Y154 A176 I177 E178 L183 R184H147-Q180 PolarHBondContact ND1-NE2 2.55Å; H147-Q180 PolarHBondContact O-NE2 2.89Å; M150-Q180 HydrophobicContact CB-CG 3.98Å; M150-Q180 HydrophobicContact CE-CB 3.79Å; M150-Q180 HydrophobicContact CE-CG 3.82Å; M150-Q180 HydrophobicContact SD-CG 3.96Å; Y154-Q180 HydrophobicContact CD1-CB 4.39Å; A176-Q180 WeakPolarHBondContact O-CB 3.4Å; A176-Q180 WeakPolarHBondContact O-CG 3.24Å; A176-Q180 PolarHBondContact O-N 2.79Å; I177-Q180 PolarHBondContact O-N 3.04Å; E178-Q180 PolarHBondContact O-N 3.12Å; Q180-L183 PolarHBondContact O-N 2.8Å; Q180-R184 WeakPolarHBondContact O-CG 3.26Å; Q180-R184 PolarHBondContact O-N 3.14Å
181I98.9Very high98.7Very high0 Ų053.4 Ų53.40%028%0.284CS..Hα-helixtrans-62.3-49.9174.3-72.3165.8000110.4Y154 I163 I177 E178 L183 R184 G185 F186 P188 M192Y154-I181 HydrophobicContact CE1-CG1 4.23Å; I163-I181 HydrophobicContact CB-CD1 4.45Å; I163-I181 HydrophobicContact CD1-CD1 4.18Å; I163-I181 HydrophobicContact CD1-CG1 3.9Å; I163-I181 HydrophobicContact CG1-CD1 4.31Å; I163-I181 HydrophobicContact CG1-CG1 4.32Å; I177-I181 HydrophobicContact CG2-CD1 3.89Å; I177-I181 WeakPolarHBondContact O-CG1 3.4Å; I177-I181 PolarHBondContact O-N 3.01Å; E178-I181 PolarHBondContact O-N 2.95Å; I181-L183 VanDerWaalsContact C-N 3.32Å; I181-L183 PolarHBondContact O-N 3.16Å; I181-R184 PolarHBondContact O-N 3.04Å; I181-R184 VanDerWaalsContact O-N 3.1Å; I181-G185 PolarHBondContact O-N 3.08Å; I181-F186 HydrophobicContact CG2-CB 3.77Å; I181-F186 PolarHBondContact O-N 3.42Å; I181-P188 HydrophobicContact CG2-CG 4.25Å; I181-M192 HydrophobicContact CD1-CB 4.41Å; I181-M192 HydrophobicContact CD1-CG 3.28Å; I181-M192 HydrophobicContact CD1-SD 4.35Å
182R98.8Very high98.7Very high129 Ų12951.7 Ų51.749%0.48727%0.271SS..Hα-helixtrans-60.2-41.4177.8-69-180-175.5-70.8-0.5111.8E178 S179 R184 G185 P188E178-R182 WeakPolarHBondContact O-CG 3.35Å; E178-R182 PolarHBondContact O-N 2.77Å; E178-R182 IonicContact OE1-CZ 3.07Å; E178-R182 VanDerWaalsContact OE1-CZ 3.27Å; E178-R182 IonicContact OE1-NE 2.62Å; E178-R182 PolarHBondContact OE1-NE 2.96Å; E178-R182 IonicContact OE1-NH2 3.29Å; E178-R182 PolarHBondContact OE1-NH2 3.03Å; S179-R182 PolarHBondContact O-N 3.47Å; R182-R184 PolarHBondContact O-N 3.35Å; R182-G185 PolarHBondContact O-N 3.03Å; R182-P188 HydrophobicContact CG-CG 3.79Å
183L98.8Very high98.7Very high109 Ų10951.5 Ų51.557%0.57127%0.268SS*.Hα-helixtrans-60.8-25.5178.1-176.164.7000112.9L151 S179 Q180 I181L151-L183 HydrophobicContact CD2-CD2 3.67Å; S179-L183 VanDerWaalsContact O-CB 3.23Å; S179-L183 WeakPolarHBondContact O-CB 3.5Å; S179-L183 PolarHBondContact O-N 3.43Å; Q180-L183 PolarHBondContact O-N 2.8Å; I181-L183 VanDerWaalsContact C-N 3.32Å; I181-L183 PolarHBondContact O-N 3.16Å
184R98.3Very high98.7Very high85 Ų8555.1 Ų55.132%0.32129%0.285SS..THydrogen-bonded Turntrans-93.15.8176.2-63-68.7-178.6-104.93.7113.4L151 Y154 P156 Q180 I181 R182 F186L151-R184 PolarHBondContact O-NH2 2.87Å; Y154-R184 HydrophobicContact CD1-CG 3.95Å; Y154-R184 HydrophobicContact CE1-CB 4.18Å; Y154-R184 HydrophobicContact CE1-CG 3.73Å; Y154-R184 PolarHBondContact O-NE 2.94Å; P156-R184 HydrophobicContact CG-CB 3.65Å; P156-R184 HydrophobicContact CG-CG 3.8Å; Q180-R184 WeakPolarHBondContact O-CG 3.26Å; Q180-R184 PolarHBondContact O-N 3.14Å; I181-R184 PolarHBondContact O-N 3.04Å; I181-R184 VanDerWaalsContact O-N 3.1Å; R182-R184 PolarHBondContact O-N 3.35Å; R184-F186 VanDerWaalsContact C-N 3.34Å; R184-F186 HydrophobicContact CB-CD2 3.97Å; R184-F186 HydrophobicContact CB-CE2 4.45Å; R184-F186 VanDerWaalsContact O-CD2 3.32Å; R184-F186 WeakPolarHBondContact O-CD2 3.12Å
185G98.4Very high98.7Very high71 Ų7153.4 Ų53.473%0.73228%0.278SS*.THydrogen-bonded Turntrans7913.2178.100000114.7I181 R182I181-G185 PolarHBondContact O-N 3.08Å; R182-G185 PolarHBondContact O-N 3.03Å
186F98.7Very high98.6Very high52 Ų5250.1 Ų50.123%0.22828%0.276CS..  trans-97.3158.5176.6-71.1-91.3000111.3P156 H161 I181 R184P156-F186 HydrophobicContact CB-CD2 4.1Å; P156-F186 HydrophobicContact CB-CE2 3.61Å; P156-F186 HydrophobicContact CB-CZ 4.05Å; P156-F186 HydrophobicContact CG-CD2 3.92Å; P156-F186 HydrophobicContact CG-CE2 3.58Å; P156-F186 HydrophobicContact CG-CZ 4.48Å; H161-F186 HydrophobicContact CB-CD1 3.65Å; H161-F186 HydrophobicContact CB-CD2 4.44Å; H161-F186 HydrophobicContact CB-CE1 3.41Å; H161-F186 VanDerWaalsContact CB-CE1 3.41Å; H161-F186 HydrophobicContact CB-CE2 4.26Å; H161-F186 HydrophobicContact CB-CG 4.17Å; H161-F186 HydrophobicContact CB-CZ 3.75Å; H161-F186 AromaticContact CD2-CE1 3.84Å; H161-F186 AromaticContact CG-CD1 3.56Å; H161-F186 AromaticContact CG-CE1 3.48Å; H161-F186 VanDerWaalsContact CG-CE1 3.48Å; H161-F186 AromaticContact ND1-CD1 3.66Å; I181-F186 HydrophobicContact CG2-CB 3.77Å; I181-F186 PolarHBondContact O-N 3.42Å; R184-F186 VanDerWaalsContact C-N 3.34Å; R184-F186 HydrophobicContact CB-CD2 3.97Å; R184-F186 HydrophobicContact CB-CE2 4.45Å; R184-F186 VanDerWaalsContact O-CD2 3.32Å; R184-F186 WeakPolarHBondContact O-CD2 3.12Å
187S98.6Very high98.6Very high46 Ų4652 Ų5232%0.32229%0.289SS..  trans-87130.2174.5144.90000109.9E189 S190 S191S187-E189 WeakPolarHBondContact CB-OE2 3.41Å; S187-E189 PolarHBondContact O-N 3.43Å; S187-E189 PolarHBondContact OG-N 3.5Å; S187-E189 PolarHBondContact OG-OE2 3.26Å; S187-S190 PolarHBondContact O-N 3.06Å; S187-S190 PolarHBondContact O-OG 3Å; S187-S190 PolarHBondContact OG-N 2.96Å; S187-S191 WeakPolarHBondContact O-CB 3.38Å; S187-S191 PolarHBondContact O-N 2.98Å; S187-S191 PolarHBondContact O-OG 3.04Å
188P98.6Very high98.6Very high10 Ų1056.5 Ų56.57%0.06531%0.305CS..Hα-helixtrans-56-36.7171.8-30.539.8000113.5E178 I181 R182 S190 S191 M192E178-P188 HydrophobicContact CG-CB 3.9Å; E178-P188 HydrophobicContact CG-CG 3.57Å; I181-P188 HydrophobicContact CG2-CG 4.25Å; R182-P188 HydrophobicContact CG-CG 3.79Å; P188-S190 PolarHBondContact O-N 3.2Å; P188-S191 PolarHBondContact O-N 3.36Å; P188-M192 HydrophobicContact CB-CG 4.17Å; P188-M192 HydrophobicContact CB-SD 3.83Å; P188-M192 WeakPolarHBondContact O-CB 3.32Å; P188-M192 PolarHBondContact O-N 3.45Å
189E98.1Very high98.5Very high149 Ų14960.8 Ų60.870%0.69634%0.337SS*.Hα-helixtrans-59.6-35.1-179-6075.2-164.400112.4S187S187-E189 WeakPolarHBondContact CB-OE2 3.41Å; S187-E189 PolarHBondContact O-N 3.43Å; S187-E189 PolarHBondContact OG-N 3.5Å; S187-E189 PolarHBondContact OG-OE2 3.26Å
190S98.1Very high98.3Very high63 Ų6362.3 Ų62.344%0.44136%0.361SS..Hα-helixtrans-96.7-15.2177.964.60000114.4S187 P188S187-S190 PolarHBondContact O-N 3.06Å; S187-S190 PolarHBondContact O-OG 3Å; S187-S190 PolarHBondContact OG-N 2.96Å; P188-S190 PolarHBondContact O-N 3.2Å
191S98.8Very high98.3Very high0 Ų064.9 Ų64.90%037%0.373CS..Hα-helixtrans-115.7-14.9-169.1-50.10000114.3H161 K162 I163 S187 P188H161-S191 PolarHBondContact CE1-OG 3.16Å; H161-S191 PolarHBondContact ND1-OG 2.72Å; K162-S191 CarbonylContact C-O 3.55Å; K162-S191 VanDerWaalsContact CA-O 3.26Å; K162-S191 WeakPolarHBondContact CA-O 3.09Å; I163-S191 PolarHBondContact N-O 3.14Å; S187-S191 WeakPolarHBondContact O-CB 3.38Å; S187-S191 PolarHBondContact O-N 2.98Å; S187-S191 PolarHBondContact O-OG 3.04Å; P188-S191 PolarHBondContact O-N 3.36Å
192M98.8Very high98.1Very high21 Ų2167.7 Ų67.710%0.10339%0.388CS..EExtended strand (participates in β ladder)trans-92.4100.7171.4-67-175.470.800109.7L165 I177 E178 I181 P188 M194L165-M192 HydrophobicContact CD1-CE 3.74Å; L165-M192 HydrophobicContact CD2-CB 4.22Å; L165-M192 HydrophobicContact CD2-CE 4.31Å; I177-M192 HydrophobicContact CB-CE 4.41Å; I177-M192 HydrophobicContact CG2-CE 3.91Å; I177-M192 HydrophobicContact CG2-CG 4.2Å; I177-M192 HydrophobicContact CG2-SD 4.45Å; E178-M192 HydrophobicContact CB-SD 3.9Å; E178-M192 HydrophobicContact CG-SD 4.12Å; I181-M192 HydrophobicContact CD1-CB 4.41Å; I181-M192 HydrophobicContact CD1-CG 3.28Å; I181-M192 HydrophobicContact CD1-SD 4.35Å; P188-M192 HydrophobicContact CB-CG 4.17Å; P188-M192 HydrophobicContact CB-SD 3.83Å; P188-M192 WeakPolarHBondContact O-CB 3.32Å; P188-M192 PolarHBondContact O-N 3.45Å; M192-M194 PolarHBondContact O-N 3.4Å
193L98.8Very high98.1Very high30 Ų3062.9 Ų62.916%0.15737%0.373CS..EExtended strand (participates in β ladder)trans-90.598.2176.7-177.858.7000109.4K162 I163 L164 L165 V212 E216 I220K162-L193 HydrophobicContact CB-CB 4.49Å; K162-L193 HydrophobicContact CD-CB 4.23Å; K162-L193 HydrophobicContact CD-CD2 4.28Å; I163-L193 PolarHBondContact O-N 3.28Å; L164-L193 WeakPolarHBondContact CA-O 3.23Å; L164-L193 HydrophobicContact CD1-CB 4.2Å; L164-L193 HydrophobicContact CD1-CD2 3.74Å; L164-L193 HydrophobicContact CD1-CG 3.69Å; L164-L193 WeakPolarHBondContact CD1-O 3.5Å; L165-L193 PolarHBondContact N-O 3.02Å; L193-V212 HydrophobicContact CD2-CG1 4.01Å; L193-E216 HydrophobicContact CD2-CB 4.03Å; L193-E216 HydrophobicContact CD2-CG 4.4Å; L193-E216 WeakPolarHBondContact CD2-OE2 3.39Å; L193-I220 HydrophobicContact CD2-CD1 3.84Å; L193-I220 HydrophobicContact CD2-CG1 4.1Å
194M98.6Very high98.1Very high90 Ų9058.2 Ų58.244%0.44335%0.348SS..EExtended strand (participates in β ladder)trans-96.9120.6-173.8-68.6-178.5-74.400112.8L165 M192L165-M194 HydrophobicContact CD1-CG 4.37Å; L165-M194 HydrophobicContact CD2-CG 3.58Å; L165-M194 HydrophobicContact CG-CG 3.9Å; L165-M194 CarbonylContact O-C 3.59Å; L165-M194 WeakPolarHBondContact O-CA 3.21Å; M192-M194 PolarHBondContact O-N 3.4Å
195L98.5Very high98.1Very high13 Ų1358.6 Ų58.67%0.06835%0.35CS..EExtended strand (participates in β ladder)trans-77.6124175.1-66.9161.4000110.7L164 L165 S167 L204 I209 V212 L225L164-L195 HydrophobicContact CD1-CD1 3.82Å; L164-L195 HydrophobicContact CD1-CD2 4.07Å; L164-L195 HydrophobicContact CD1-CG 3.69Å; L164-L195 HydrophobicContact CD2-CD1 4.19Å; L164-L195 HydrophobicContact CG-CD1 3.98Å; L164-L195 HydrophobicContact CG-CG 4.39Å; L165-L195 PolarHBondContact O-N 3.06Å; S167-L195 VanDerWaalsContact CB-O 3.29Å; S167-L195 WeakPolarHBondContact CB-O 3.48Å; S167-L195 PolarHBondContact N-O 3.39Å; S167-L195 PolarHBondContact OG-O 3.37Å; L195-L204 HydrophobicContact CB-CD1 3.84Å; L195-L204 HydrophobicContact CB-CD2 3.98Å; L195-L204 HydrophobicContact CD1-CD1 4.47Å; L195-I209 HydrophobicContact CD1-CB 4.41Å; L195-I209 HydrophobicContact CD1-CG1 4.16Å; L195-I209 HydrophobicContact CD1-CG2 3.94Å; L195-V212 HydrophobicContact CD2-CB 3.85Å; L195-V212 HydrophobicContact CD2-CG1 3.94Å; L195-V212 HydrophobicContact CD2-CG2 3.7Å; L195-L225 HydrophobicContact CD1-CD2 4.36Å
196S98.3Very high98.1Very high78 Ų7856.8 Ų56.855%0.54533%0.325SS..  trans-112145.7174.1-63.70000111.6S167 L204S167-S196 VanDerWaalsContact CB-OG 3.25Å; S167-S196 WeakPolarHBondContact CB-OG 3.46Å; S167-S196 WeakPolarHBondContact OG-CA 3.48Å; S167-S196 PolarHBondContact OG-OG 2.95Å; S196-L204 WeakPolarHBondContact O-CD2 3.44Å
197P98.1Very high98.1Very high42 Ų4258.9 Ų58.927%0.27334%0.335SS..PPolyproline II helixtrans-53.2153.9169.2-26.935.8000111.9E201 T203 L204P197-E201 HydrophobicContact CB-CB 4.24Å; P197-E201 WeakPolarHBondContact CB-O 3.26Å; P197-T203 WeakPolarHBondContact CB-O 3.39Å; P197-L204 HydrophobicContact CG-CD2 4.37Å
198R98.1Very high98.1Very high97 Ų9758.4 Ų58.437%0.36633%0.329SS..PPolyproline II helixtrans-60.9153.9171.1-62.5-178.4-179.7-170.61.3110.1G200 E201 D208R198-G200 PolarHBondContact O-N 3.19Å; R198-E201 HydrophobicContact CB-CG 4.36Å; R198-E201 WeakPolarHBondContact O-CB 3.46Å; R198-E201 PolarHBondContact O-N 3.39Å; R198-D208 IonicContact CZ-OD1 2.97Å; R198-D208 IonicContact CZ-OD2 2.65Å; R198-D208 IonicContact NE-OD1 2.7Å; R198-D208 PolarHBondContact NE-OD1 3.22Å; R198-D208 IonicContact NE-OD2 3.77Å; R198-D208 PolarHBondContact NE-OD2 3.48Å; R198-D208 IonicContact NH2-OD1 3.2Å; R198-D208 PolarHBondContact NH2-OD1 3.09Å; R198-D208 IonicContact NH2-OD2 3.28Å; R198-D208 PolarHBondContact NH2-OD2 3.33Å
199P97.4Very high98.1Very high139 Ų13958 Ų5890%0.90333%0.326SS*.THydrogen-bonded Turntrans-53126.2175.9-26.935.2000112
200G95.9Very high98.2Very high82 Ų8253.5 Ų53.585%0.84531%0.307SS*.THydrogen-bonded Turntrans87.4-2.5-17800000115.3R198R198-G200 PolarHBondContact O-N 3.19Å
201E97.2Very high98.2Very high57 Ų5754.4 Ų54.427%0.26631%0.307SS..  trans-106.2147.3175.6-64.1177.9-152.800111.2P197 R198 R205P197-E201 HydrophobicContact CB-CB 4.24Å; P197-E201 WeakPolarHBondContact CB-O 3.26Å; R198-E201 HydrophobicContact CB-CG 4.36Å; R198-E201 WeakPolarHBondContact O-CB 3.46Å; R198-E201 PolarHBondContact O-N 3.39Å; E201-R205 IonicContact OE1-CZ 3.62Å; E201-R205 VanDerWaalsContact OE1-CZ 3.25Å; E201-R205 IonicContact OE1-NE 3.6Å; E201-R205 PolarHBondContact OE1-NE 2.83Å; E201-R205 VanDerWaalsContact OE1-NE 3.1Å; E201-R205 IonicContact OE1-NH2 2.66Å; E201-R205 PolarHBondContact OE1-NH2 3.05Å; E201-R205 WeakPolarHBondContact OE2-CG 3.35Å; E201-R205 IonicContact OE2-CZ 3.62Å; E201-R205 IonicContact OE2-NE 2.78Å; E201-R205 PolarHBondContact OE2-NE 3.43Å; E201-R205 IonicContact OE2-NH2 2.74Å
202D95.7Very high98.2Very high58 Ų5856 Ų5631%0.3132%0.317SS..SBendtrans-96.4-16.2177.1-61-81.7000112.6T232 R394 L396D202-T232 WeakPolarHBondContact O-CG2 3.09Å; D202-R394 IonicContact OD1-NH2 2.66Å; D202-R394 PolarHBondContact OD1-NH2 2.65Å; D202-R394 IonicContact OD2-CZ 3.26Å; D202-R394 IonicContact OD2-NH1 3.97Å; D202-R394 PolarHBondContact OD2-NH1 2.7Å; D202-R394 IonicContact OD2-NH2 3.15Å; D202-R394 PolarHBondContact OD2-NH2 2.54Å; D202-L396 HydrophobicContact CB-CB 4.31Å; D202-L396 HydrophobicContact CB-CD2 4.09Å; D202-L396 HydrophobicContact CB-CG 4.05Å
203T98.3Very high98.2Very high29 Ų2955 Ų5518%0.17831%0.312CS..SBendtrans-123.8155.9-172.552.40000111.5P197 T232 Q234 P398P197-T203 WeakPolarHBondContact CB-O 3.39Å; T203-T232 HydrophobicContact CG2-CG2 4.3Å; T203-Q234 VanDerWaalsContact CB-OE1 3.3Å; T203-Q234 HydrophobicContact CG2-CB 4.21Å; T203-P398 HydrophobicContact CG2-CG 4.04Å
204L98.6Very high98.2Very high10 Ų1057.9 Ų57.95%0.05232%0.324CS..  trans-79.3147.1174.7-69.8172.7000110.3E166 L195 S196 P197 I209 Q234 F236E166-L204 HydrophobicContact CB-CD1 3.85Å; L195-L204 HydrophobicContact CB-CD1 3.84Å; L195-L204 HydrophobicContact CB-CD2 3.98Å; L195-L204 HydrophobicContact CD1-CD1 4.47Å; S196-L204 WeakPolarHBondContact O-CD2 3.44Å; P197-L204 HydrophobicContact CG-CD2 4.37Å; L204-I209 HydrophobicContact CB-CD1 4.13Å; L204-I209 HydrophobicContact CB-CG1 4.32Å; L204-I209 HydrophobicContact CD1-CD1 4.35Å; L204-I209 HydrophobicContact CD1-CG1 4.47Å; L204-Q234 PolarHBondContact O-NE2 3.19Å; L204-F236 HydrophobicContact CB-CE1 4.06Å; L204-F236 HydrophobicContact CD1-CE1 3.81Å; L204-F236 HydrophobicContact CD1-CZ 3.97Å; L204-F236 HydrophobicContact CG-CE1 4.49Å
205R98.5Very high98.2Very high93 Ų9360.5 Ų60.535%0.35133%0.333SS..  trans-93.4137.3168.5-51.7-169.5-179.9-160.6-1.8109.5E201 E207 D208 I209E201-R205 IonicContact OE1-CZ 3.62Å; E201-R205 VanDerWaalsContact OE1-CZ 3.25Å; E201-R205 IonicContact OE1-NE 3.6Å; E201-R205 PolarHBondContact OE1-NE 2.83Å; E201-R205 VanDerWaalsContact OE1-NE 3.1Å; E201-R205 IonicContact OE1-NH2 2.66Å; E201-R205 PolarHBondContact OE1-NH2 3.05Å; E201-R205 WeakPolarHBondContact OE2-CG 3.35Å; E201-R205 IonicContact OE2-CZ 3.62Å; E201-R205 IonicContact OE2-NE 2.78Å; E201-R205 PolarHBondContact OE2-NE 3.43Å; E201-R205 IonicContact OE2-NH2 2.74Å; R205-E207 VanDerWaalsContact CB-CD 3.46Å; R205-E207 HydrophobicContact CB-CG 4.17Å; R205-E207 WeakPolarHBondContact CB-OE2 3.4Å; R205-E207 WeakPolarHBondContact CD-OE1 3.48Å; R205-E207 IonicContact NH1-OE1 2.94Å; R205-E207 PolarHBondContact O-N 3.02Å; R205-D208 PolarHBondContact O-N 3.17Å; R205-I209 PolarHBondContact O-N 2.79Å
206T98.6Very high98.2Very high33 Ų3362.8 Ų62.820%0.20234%0.343CS..Hα-helixtrans-56.1-41.7-178.7-57.80000110.9D208 I209 L210 D237T206-D208 VanDerWaalsContact C-N 3.26Å; T206-D208 PolarHBondContact O-N 3.41Å; T206-I209 WeakPolarHBondContact O-CB 3.49Å; T206-I209 PolarHBondContact O-N 2.9Å; T206-I209 VanDerWaalsContact O-N 3.13Å; T206-L210 HydrophobicContact CG2-CD1 4.16Å; T206-L210 HydrophobicContact CG2-CG 4.23Å; T206-L210 WeakPolarHBondContact O-CG 3.47Å; T206-L210 PolarHBondContact O-N 2.92Å; T206-D237 HydrophobicContact CG2-CB 4.14Å
207E98.6Very high98.2Very high96 Ų9659.1 Ų59.145%0.44932%0.317SS..Hα-helixtrans-57.9-35.917862.9-89.3-154.300113.4R205 L210 D211R205-E207 VanDerWaalsContact CB-CD 3.46Å; R205-E207 HydrophobicContact CB-CG 4.17Å; R205-E207 WeakPolarHBondContact CB-OE2 3.4Å; R205-E207 WeakPolarHBondContact CD-OE1 3.48Å; R205-E207 IonicContact NH1-OE1 2.94Å; R205-E207 PolarHBondContact O-N 3.02Å; E207-L210 PolarHBondContact O-N 3.43Å; E207-D211 WeakPolarHBondContact O-CB 3.28Å; E207-D211 PolarHBondContact O-N 3.22Å
208D98.8Very high98.3Very high37 Ų3761.5 Ų61.520%0.19833%0.328CS..Hα-helixtrans-70.8-36.9178.8-66.2-28.8000111.6R198 R205 T206 D211 V212R198-D208 IonicContact CZ-OD1 2.97Å; R198-D208 IonicContact CZ-OD2 2.65Å; R198-D208 IonicContact NE-OD1 2.7Å; R198-D208 PolarHBondContact NE-OD1 3.22Å; R198-D208 IonicContact NE-OD2 3.77Å; R198-D208 PolarHBondContact NE-OD2 3.48Å; R198-D208 IonicContact NH2-OD1 3.2Å; R198-D208 PolarHBondContact NH2-OD1 3.09Å; R198-D208 IonicContact NH2-OD2 3.28Å; R198-D208 PolarHBondContact NH2-OD2 3.33Å; R205-D208 PolarHBondContact O-N 3.17Å; T206-D208 VanDerWaalsContact C-N 3.26Å; T206-D208 PolarHBondContact O-N 3.41Å; D208-D211 PolarHBondContact O-N 2.92Å; D208-V212 WeakPolarHBondContact O-CG2 3.33Å; D208-V212 PolarHBondContact O-N 2.78Å; D208-V212 VanDerWaalsContact O-N 3.09Å
209I98.9Very high98.3Very high0 Ų059.3 Ų59.30%033%0.325CS..Hα-helixtrans-63-47.9175.6-54.1174.7000109.6L195 L204 R205 T206 V212 I213 L225 F236 I241L195-I209 HydrophobicContact CD1-CB 4.41Å; L195-I209 HydrophobicContact CD1-CG1 4.16Å; L195-I209 HydrophobicContact CD1-CG2 3.94Å; L204-I209 HydrophobicContact CB-CD1 4.13Å; L204-I209 HydrophobicContact CB-CG1 4.32Å; L204-I209 HydrophobicContact CD1-CD1 4.35Å; L204-I209 HydrophobicContact CD1-CG1 4.47Å; R205-I209 PolarHBondContact O-N 2.79Å; T206-I209 WeakPolarHBondContact O-CB 3.49Å; T206-I209 PolarHBondContact O-N 2.9Å; T206-I209 VanDerWaalsContact O-N 3.13Å; I209-V212 PolarHBondContact O-N 3.49Å; I209-I213 HydrophobicContact CG2-CD1 4.09Å; I209-I213 WeakPolarHBondContact O-CG1 3.4Å; I209-I213 PolarHBondContact O-N 3.36Å; I209-L225 HydrophobicContact CG2-CD1 4.2Å; I209-F236 HydrophobicContact CD1-CD1 3.56Å; I209-F236 HydrophobicContact CD1-CE1 3.57Å; I209-I241 HydrophobicContact CD1-CD1 4.26Å; I209-I241 HydrophobicContact CG2-CD1 4.23Å; I209-I241 HydrophobicContact CG2-CG1 4.05Å
210L98.9Very high98.4Very high55 Ų5552.7 Ų52.729%0.28828%0.282SS..Hα-helixtrans-64.9-39.8179.7-58.4-177.3000111.6T206 E207 V212 I213 E214 A240 I241 A244T206-L210 HydrophobicContact CG2-CD1 4.16Å; T206-L210 HydrophobicContact CG2-CG 4.23Å; T206-L210 WeakPolarHBondContact O-CG 3.47Å; T206-L210 PolarHBondContact O-N 2.92Å; E207-L210 PolarHBondContact O-N 3.43Å; L210-V212 VanDerWaalsContact C-N 3.35Å; L210-V212 PolarHBondContact O-N 3.38Å; L210-I213 PolarHBondContact O-N 3.45Å; L210-E214 PolarHBondContact O-N 3.01Å; L210-A240 HydrophobicContact CD2-CB 4.37Å; L210-I241 HydrophobicContact CD2-CG1 4.45Å; L210-A244 HydrophobicContact CD2-CB 3.69Å
211D98.9Very high98.5Very high83 Ų8349.2 Ų49.244%0.44425%0.245SC..Hα-helixtrans-62.5-40.6177.6-119.343.6000112.1E207 D208 E214 K215E207-D211 WeakPolarHBondContact O-CB 3.28Å; E207-D211 PolarHBondContact O-N 3.22Å; D208-D211 PolarHBondContact O-N 2.92Å; D211-E214 PolarHBondContact O-N 3.26Å; D211-K215 WeakPolarHBondContact O-CB 3.38Å; D211-K215 VanDerWaalsContact O-CG 3.27Å; D211-K215 WeakPolarHBondContact O-CG 3.39Å; D211-K215 PolarHBondContact O-N 2.93Å; D211-K215 WeakPolarHBondContact OD2-CE 3.45Å; D211-K215 IonicContact OD2-NZ 3.43Å; D211-K215 PolarHBondContact OD2-NZ 2.95Å
212V98.9Very high98.6Very high34 Ų3446.5 Ų46.521%0.20623%0.233CC..Hα-helixtrans-66.7-43.1175.7170.30000110.9L164 L193 L195 D208 I209 L210 E214 K215 E216L164-V212 HydrophobicContact CD1-CG1 3.84Å; L193-V212 HydrophobicContact CD2-CG1 4.01Å; L195-V212 HydrophobicContact CD2-CB 3.85Å; L195-V212 HydrophobicContact CD2-CG1 3.94Å; L195-V212 HydrophobicContact CD2-CG2 3.7Å; D208-V212 WeakPolarHBondContact O-CG2 3.33Å; D208-V212 PolarHBondContact O-N 2.78Å; D208-V212 VanDerWaalsContact O-N 3.09Å; I209-V212 PolarHBondContact O-N 3.49Å; L210-V212 VanDerWaalsContact C-N 3.35Å; L210-V212 PolarHBondContact O-N 3.38Å; V212-E214 VanDerWaalsContact C-N 3.34Å; V212-E214 PolarHBondContact O-N 2.64Å; V212-K215 PolarHBondContact O-N 3.33Å; V212-E216 WeakPolarHBondContact O-CB 3.34Å; V212-E216 PolarHBondContact O-N 2.96Å
213I98.9Very high98.8Very high0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-61-44.3176.1-67.8167.8000110.7L164 I209 L210 K215 G217 V223 I241 A244 K248L164-I213 HydrophobicContact CD2-CD1 4.04Å; L164-I213 HydrophobicContact CD2-CG1 3.47Å; L164-I213 VanDerWaalsContact CD2-CG1 3.47Å; I209-I213 HydrophobicContact CG2-CD1 4.09Å; I209-I213 WeakPolarHBondContact O-CG1 3.4Å; I209-I213 PolarHBondContact O-N 3.36Å; L210-I213 PolarHBondContact O-N 3.45Å; I213-K215 PolarHBondContact O-N 2.92Å; I213-G217 WeakPolarHBondContact O-CA 3.42Å; I213-G217 PolarHBondContact O-N 3.01Å; I213-V223 HydrophobicContact CD1-CG2 4.43Å; I213-I241 HydrophobicContact CD1-CG2 4.15Å; I213-A244 HydrophobicContact CB-CB 4.39Å; I213-A244 HydrophobicContact CD1-CB 4.23Å; I213-A244 VanDerWaalsContact CG2-C 3.5Å; I213-A244 HydrophobicContact CG2-CB 3.9Å; I213-A244 WeakPolarHBondContact CG2-O 3.46Å; I213-K248 HydrophobicContact CG2-CG 4.16Å
214E98.8Very high98.8Very high89 Ų8942.5 Ų42.542%0.41621%0.21SC..Hα-helixtrans-62.4-43.6179.1-176.664.1-146.500111.7L210 D211 V212 K247 K248L210-E214 PolarHBondContact O-N 3.01Å; D211-E214 PolarHBondContact O-N 3.26Å; V212-E214 VanDerWaalsContact C-N 3.34Å; V212-E214 PolarHBondContact O-N 2.64Å; E214-K247 IonicContact OE1-NZ 3.82Å; E214-K247 IonicContact OE2-NZ 3.93Å; E214-K247 PolarHBondContact OE2-NZ 2.97Å; E214-K248 WeakPolarHBondContact O-CE 3.39Å; E214-K248 PolarHBondContact O-NZ 3.21Å
215K98.8Very high98.8Very high146 Ų14642.1 Ų42.164%0.63521%0.208SC*.Hα-helixtrans-74.6-41.2-177.6-70.7169.5-169.3159.90113.9D211 V212 I213D211-K215 WeakPolarHBondContact O-CB 3.38Å; D211-K215 VanDerWaalsContact O-CG 3.27Å; D211-K215 WeakPolarHBondContact O-CG 3.39Å; D211-K215 PolarHBondContact O-N 2.93Å; D211-K215 WeakPolarHBondContact OD2-CE 3.45Å; D211-K215 IonicContact OD2-NZ 3.43Å; D211-K215 PolarHBondContact OD2-NZ 2.95Å; V212-K215 PolarHBondContact O-N 3.33Å; I213-K215 PolarHBondContact O-N 2.92Å
216E98.7Very high98.8Very high61 Ų6138.2 Ų38.229%0.28520%0.195SC..Hα-helixtrans-110-1.5-172.8-65.1-160.6-125.700113.9K162 L193 V212 D218 V219 I220K162-E216 IonicContact NZ-OE2 2.81Å; K162-E216 PolarHBondContact NZ-OE2 3.46Å; L193-E216 HydrophobicContact CD2-CB 4.03Å; L193-E216 HydrophobicContact CD2-CG 4.4Å; L193-E216 WeakPolarHBondContact CD2-OE2 3.39Å; V212-E216 WeakPolarHBondContact O-CB 3.34Å; V212-E216 PolarHBondContact O-N 2.96Å; E216-D218 PolarHBondContact O-N 3.1Å; E216-V219 HydrophobicContact CB-CG2 4.33Å; E216-V219 WeakPolarHBondContact O-CG2 3.41Å; E216-V219 PolarHBondContact O-N 3.17Å; E216-I220 HydrophobicContact CB-CD1 4.01Å; E216-I220 HydrophobicContact CB-CG1 4.47Å; E216-I220 WeakPolarHBondContact O-CG1 3.49Å; E216-I220 PolarHBondContact O-N 2.81Å
217G98.7Very high98.8Very high0 Ų036.7 Ų36.70%019%0.186CC..THydrogen-bonded Turntrans-57.7-24.1-172.800000115.3R160 I213 V219 I220 C250R160-G217 PolarHBondContact NH1-O 2.79Å; I213-G217 WeakPolarHBondContact O-CA 3.42Å; I213-G217 PolarHBondContact O-N 3.01Å; G217-V219 VanDerWaalsContact C-N 3.27Å; G217-V219 PolarHBondContact O-N 2.97Å; G217-I220 PolarHBondContact O-N 3.1Å; G217-C250 PolarHBondContact O-SG 2.76Å
218D98.7Very high98.8Very high93 Ų9332.2 Ų32.250%0.49717%0.165SC..THydrogen-bonded Turntrans-71.6-22.9178.7-60.4-49.3000113.1R160 E216 K248R160-D218 VanDerWaalsContact CZ-O 3.29Å; R160-D218 PolarHBondContact NE-O 3.22Å; R160-D218 PolarHBondContact NH2-O 3Å; E216-D218 PolarHBondContact O-N 3.1Å; D218-K248 WeakPolarHBondContact OD1-CE 3.49Å; D218-K248 IonicContact OD1-NZ 2.78Å; D218-K248 WeakPolarHBondContact OD2-CE 3.3Å; D218-K248 IonicContact OD2-NZ 3.56Å; D218-K248 PolarHBondContact OD2-NZ 3.45Å
219V98.8Very high98.8Very high51 Ų5131 Ų3131%0.30916%0.158SC..THydrogen-bonded Turntrans-102.8-6.5177.1-56.30000113.3T159 R160 H161 K162 E216 G217T159-V219 WeakPolarHBondContact O-CA 3.47Å; T159-V219 WeakPolarHBondContact O-CG1 3.35Å; R160-V219 CarbonylContact C-O 3.56Å; R160-V219 WeakPolarHBondContact CA-O 3.23Å; H161-V219 PolarHBondContact N-O 3.11Å; H161-V219 VanDerWaalsContact N-O 3.07Å; K162-V219 HydrophobicContact CD-CG2 3.8Å; K162-V219 HydrophobicContact CG-CG2 4.24Å; K162-V219 PolarHBondContact N-O 2.85Å; E216-V219 HydrophobicContact CB-CG2 4.33Å; E216-V219 WeakPolarHBondContact O-CG2 3.41Å; E216-V219 PolarHBondContact O-N 3.17Å; G217-V219 VanDerWaalsContact C-N 3.27Å; G217-V219 PolarHBondContact O-N 2.97Å
220I98.9Very high98.8Very high0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-86.4121.5177.4-63.9165.5000109.1R160 K162 L164 L193 E216 G217 M222 V223 C250R160-I220 WeakPolarHBondContact CD-O 3.37Å; R160-I220 VanDerWaalsContact CG-O 3.28Å; R160-I220 WeakPolarHBondContact CG-O 3.22Å; R160-I220 PolarHBondContact NH1-O 3.3Å; K162-I220 HydrophobicContact CB-CG1 4.23Å; K162-I220 WeakPolarHBondContact O-CA 3.37Å; L164-I220 HydrophobicContact CB-CD1 4.18Å; L164-I220 HydrophobicContact CB-CG2 4.22Å; L164-I220 HydrophobicContact CD2-CD1 4.33Å; L193-I220 HydrophobicContact CD2-CD1 3.84Å; L193-I220 HydrophobicContact CD2-CG1 4.1Å; E216-I220 HydrophobicContact CB-CD1 4.01Å; E216-I220 HydrophobicContact CB-CG1 4.47Å; E216-I220 WeakPolarHBondContact O-CG1 3.49Å; E216-I220 PolarHBondContact O-N 2.81Å; G217-I220 PolarHBondContact O-N 3.1Å; I220-M222 VanDerWaalsContact CG2-O 3.27Å; I220-M222 WeakPolarHBondContact CG2-O 3.27Å; I220-V223 HydrophobicContact CG2-CG2 4.17Å; I220-C250 HydrophobicContact CG2-CB 4.32Å; I220-C250 PolarHBondContact O-SG 2.73Å; I220-C250 VanDerWaalsContact O-SG 3.42Å
221A98.9Very high98.7Very high8 Ų831.9 Ų31.97%0.06616%0.158CC..EExtended strand (participates in β ladder)trans-82.6-37.2171.700000111.3Y154 R160 K162 F251Y154-A221 HydrophobicContact CD2-CB 4Å; Y154-A221 HydrophobicContact CE2-CB 3.95Å; R160-A221 HydrophobicContact CG-CB 4.13Å; K162-A221 PolarHBondContact O-N 2.79Å; A221-F251 PolarHBondContact O-N 2.97Å; A221-F251 VanDerWaalsContact O-N 3.14Å
222M98.8Very high98.7Very high0 Ų028.5 Ų28.50%014%0.14CC..EExtended strand (participates in β ladder)trans-146136.8-172.3-179.6179-75.500111.3M150 F153 Y154 K162 I163 L164 I220 M224 F251 F274M150-M222 HydrophobicContact CE-SD 4.05Å; M150-M222 HydrophobicContact CG-CE 4.47Å; M150-M222 HydrophobicContact CG-SD 4.14Å; F153-M222 HydrophobicContact CB-CE 3.4Å; Y154-M222 HydrophobicContact CD2-CB 4.45Å; K162-M222 PolarHBondContact O-N 2.87Å; I163-M222 CarbonylContact C-O 3.5Å; I163-M222 VanDerWaalsContact CA-O 3.29Å; I163-M222 WeakPolarHBondContact CA-O 3.14Å; I163-M222 HydrophobicContact CG1-CB 4.38Å; I163-M222 HydrophobicContact CG2-CB 4.49Å; L164-M222 PolarHBondContact N-O 2.89Å; I220-M222 VanDerWaalsContact CG2-O 3.27Å; I220-M222 WeakPolarHBondContact CG2-O 3.27Å; M222-M224 HydrophobicContact CG-CB 4.44Å; M222-M224 HydrophobicContact SD-CB 4.49Å; M222-F251 CarbonylContact C-O 3.57Å; M222-F251 VanDerWaalsContact CA-O 3.27Å; M222-F251 WeakPolarHBondContact CA-O 3.39Å; M222-F274 HydrophobicContact CE-CE1 3.75Å; M222-F274 HydrophobicContact CE-CZ 3.69Å; M222-F274 HydrophobicContact CG-CZ 4.32Å; M222-F274 HydrophobicContact SD-CE1 4.29Å; M222-F274 HydrophobicContact SD-CZ 3.74Å
223V98.9Very high98.7Very high0 Ų026.9 Ų26.90%013%0.131CC..EExtended strand (participates in β ladder)trans-98.5124.3161.9-179.70000107.3L164 I213 I220 L225 I241 C250 F251 V252 G253L164-V223 HydrophobicContact CB-CG2 4.23Å; L164-V223 HydrophobicContact CD2-CG1 4.12Å; L164-V223 HydrophobicContact CD2-CG2 3.99Å; I213-V223 HydrophobicContact CD1-CG2 4.43Å; I220-V223 HydrophobicContact CG2-CG2 4.17Å; V223-L225 HydrophobicContact CG1-CD1 3.88Å; V223-L225 HydrophobicContact CG1-CG 4.08Å; V223-I241 HydrophobicContact CG1-CG2 3.93Å; V223-C250 HydrophobicContact CG2-CB 4.29Å; V223-F251 PolarHBondContact N-O 2.86Å; V223-V252 HydrophobicContact CB-CB 4.39Å; V223-V252 HydrophobicContact CB-CG1 4.06Å; V223-V252 HydrophobicContact CB-CG2 4.14Å; V223-V252 HydrophobicContact CG1-CG1 4.22Å; V223-V252 HydrophobicContact CG2-CG2 4.24Å; V223-G253 PolarHBondContact O-N 3.43Å
224M98.9Very high98.7Very high3 Ų327 Ų272%0.01513%0.132CC..EExtended strand (participates in β ladder)trans-131.699.5178.3-173.964.8-152.800108.7L146 I163 L164 L165 I177 M222 D255 F274L146-M224 HydrophobicContact CD1-CE 3.43Å; L146-M224 VanDerWaalsContact CD1-CE 3.43Å; L146-M224 HydrophobicContact CD1-CG 4.49Å; L146-M224 HydrophobicContact CD1-SD 3.77Å; L146-M224 HydrophobicContact CD2-CE 4.36Å; I163-M224 HydrophobicContact CG2-CB 4.04Å; L164-M224 PolarHBondContact O-N 3.42Å; L165-M224 WeakPolarHBondContact CA-O 3.29Å; L165-M224 WeakPolarHBondContact CB-O 3.49Å; I177-M224 HydrophobicContact CD1-CB 4.1Å; I177-M224 HydrophobicContact CD1-CG 3.92Å; I177-M224 HydrophobicContact CG1-CG 4.43Å; M222-M224 HydrophobicContact CG-CB 4.44Å; M222-M224 HydrophobicContact SD-CB 4.49Å; M224-D255 HydrophobicContact CE-CB 3.82Å; M224-D255 VanDerWaalsContact CE-N 3.26Å; M224-F274 HydrophobicContact SD-CE2 3.84Å; M224-F274 HydrophobicContact SD-CZ 4.07Å
225L98.9Very high98.7Very high2 Ų224 Ų241%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-124.5156.6-178.5-72170.3000110.1E166 L195 I209 V223 I241 G253 F254 D255E166-L225 HydrophobicContact CB-CD2 3.99Å; E166-L225 VanDerWaalsContact N-CD2 3.32Å; L195-L225 HydrophobicContact CD1-CD2 4.36Å; I209-L225 HydrophobicContact CG2-CD1 4.2Å; V223-L225 HydrophobicContact CG1-CD1 3.88Å; V223-L225 HydrophobicContact CG1-CG 4.08Å; L225-I241 HydrophobicContact CD1-CD1 3.99Å; L225-I241 HydrophobicContact CD1-CG2 4.09Å; L225-G253 PolarHBondContact N-O 3.02Å; L225-F254 HydrophobicContact CB-CD1 4.15Å; L225-F254 HydrophobicContact CB-CE1 4.16Å; L225-F254 WeakPolarHBondContact O-CA 3.49Å; L225-F254 WeakPolarHBondContact O-CD1 3.33Å; L225-D255 PolarHBondContact O-N 2.74Å
226P98.8Very high98.7Very high12 Ų1217.3 Ų17.38%0.0789%0.089CC..EExtended strand (participates in β ladder)trans-72.5152.4169.433-37.8000109.7E166 Q229 F236 D255E166-P226 WeakPolarHBondContact OE1-CD 3.42Å; E166-P226 VanDerWaalsContact OE1-CG 3.28Å; E166-P226 WeakPolarHBondContact OE1-CG 3.45Å; E166-P226 WeakPolarHBondContact OE2-CD 3.48Å; P226-Q229 HydrophobicContact CG-CB 4.46Å; P226-Q229 HydrophobicContact CG-CG 4.43Å; P226-F236 HydrophobicContact CG-CD2 4.14Å; P226-F236 HydrophobicContact CG-CE2 3.75Å; P226-F236 WeakPolarHBondContact O-CD2 3.4Å; P226-D255 CarbonylContact C-O 3.4Å; P226-D255 VanDerWaalsContact CA-O 3.23Å; P226-D255 WeakPolarHBondContact CA-O 3.32Å
227G98.8Very high98.7Very high0 Ų018 Ų180%010%0.095CC..SBendtrans-65.7-45.1165.100000110.6L235 F236 D255G227-L235 WeakPolarHBondContact O-CD1 3.49Å; G227-F236 PolarHBondContact O-N 2.86Å; G227-D255 PolarHBondContact N-O 3.33Å
228V98.9Very high98.7Very high3 Ų318.2 Ų18.22%0.01810%0.096CC..BIsolated β-bridgetrans-128.3125173.3175.80000109.7Y230 Q234 L235 H258 A259V228-Y230 PolarHBondContact O-N 3.44Å; V228-Q234 CarbonylContact C-O 3.54Å; V228-Q234 VanDerWaalsContact CA-O 3.24Å; V228-Q234 WeakPolarHBondContact CA-O 3.41Å; V228-L235 HydrophobicContact CG2-CB 4.08Å; V228-L235 HydrophobicContact CG2-CD1 3.6Å; V228-L235 HydrophobicContact CG2-CG 4.41Å; V228-H258 HydrophobicContact CB-CB 3.73Å; V228-H258 HydrophobicContact CG1-CB 3.96Å; V228-A259 HydrophobicContact CG2-CB 3.96Å
229Q98.7Very high98.7Very high11 Ų1116.7 Ų16.75%0.0519%0.086CC..  trans-67.4123.7178.5-148.7-73.4-20.200110.4E166 K168 P226 Y231 T232 G233 Q234 F236E166-Q229 HydrophobicContact CG-CG 4.36Å; K168-Q229 PolarHBondContact O-NE2 2.99Å; P226-Q229 HydrophobicContact CG-CB 4.46Å; P226-Q229 HydrophobicContact CG-CG 4.43Å; Q229-Y231 PolarHBondContact O-N 3.41Å; Q229-Y231 VanDerWaalsContact OE1-CA 3.27Å; Q229-T232 WeakPolarHBondContact CB-OG1 3.26Å; Q229-T232 PolarHBondContact OE1-OG1 3Å; Q229-G233 VanDerWaalsContact O-CA 3.31Å; Q229-G233 WeakPolarHBondContact O-CA 3.34Å; Q229-G233 PolarHBondContact O-N 3.42Å; Q229-Q234 HydrophobicContact CB-CB 4.3Å; Q229-Q234 PolarHBondContact N-O 3.48Å; Q229-F236 HydrophobicContact CB-CE2 3.84Å; Q229-F236 HydrophobicContact CB-CZ 4.47Å; Q229-F236 HydrophobicContact CG-CE2 4.23Å
230Y98.1Very high98.7Very high37 Ų3715.5 Ų15.515%0.1458%0.081CC..THydrogen-bonded Turntrans-61.7-39.6-170.183.1-79.8000113.7F170 V228 H258 Q407 R439F170-Y230 HydrophobicContact CB-CD1 3.98Å; F170-Y230 HydrophobicContact CB-CE1 4.28Å; F170-Y230 HydrophobicContact CD2-CD1 4.09Å; F170-Y230 HydrophobicContact CD2-CD2 4.07Å; F170-Y230 HydrophobicContact CD2-CE1 4.34Å; F170-Y230 HydrophobicContact CD2-CE2 4.33Å; F170-Y230 AromaticContact CD2-CG 3.95Å; F170-Y230 HydrophobicContact CD2-CG 3.95Å; V228-Y230 PolarHBondContact O-N 3.44Å; Y230-H258 VanDerWaalsContact CB-CD2 3.43Å; Y230-H258 WeakPolarHBondContact CB-CD2 3.08Å; Y230-H258 WeakPolarHBondContact CB-NE2 3.13Å; Y230-Q407 PolarHBondContact O-NE2 3.12Å; Y230-Q407 PolarHBondContact O-OE1 2.61Å; Y230-R439 WeakPolarHBondContact O-CD 3.21Å; Y230-R439 PolarHBondContact O-NH1 2.83Å
231Y97.8Very high98.7Very high36 Ų3615.5 Ų15.514%0.1418%0.081CC..THydrogen-bonded Turntrans-83.8-46.1-173.9-176.7-92.5000112.5Q229 L396 S409 R433 V437Q229-Y231 PolarHBondContact O-N 3.41Å; Q229-Y231 VanDerWaalsContact OE1-CA 3.27Å; Y231-L396 HydrophobicContact CE1-CD2 4.11Å; Y231-S409 VanDerWaalsContact O-CB 3.26Å; Y231-S409 WeakPolarHBondContact O-CB 3.3Å; Y231-S409 PolarHBondContact O-OG 3.04Å; Y231-R433 HydrophobicContact CD2-CB 3.82Å; Y231-R433 HydrophobicContact CE2-CB 3.82Å; Y231-V437 HydrophobicContact CD1-CG2 4.39Å; Y231-V437 HydrophobicContact CD2-CB 4.39Å; Y231-V437 HydrophobicContact CE1-CB 4.13Å; Y231-V437 HydrophobicContact CE1-CG2 3.51Å; Y231-V437 HydrophobicContact CE2-CB 3.67Å; Y231-V437 HydrophobicContact CE2-CG1 4.39Å; Y231-V437 HydrophobicContact CE2-CG2 3.96Å; Y231-V437 WeakPolarHBondContact OH-CG2 3.28Å
232T98.3Very high98.7Very high12 Ų1215.1 Ų15.17%0.0748%0.078CC..THydrogen-bonded Turntrans-88.4-22-176.368.10000112.6D202 T203 Q229 Q234 T397D202-T232 WeakPolarHBondContact O-CG2 3.09Å; T203-T232 HydrophobicContact CG2-CG2 4.3Å; Q229-T232 WeakPolarHBondContact CB-OG1 3.26Å; Q229-T232 PolarHBondContact OE1-OG1 3Å; T232-Q234 PolarHBondContact O-N 3.26Å; T232-Q234 WeakPolarHBondContact OG1-CB 2.99Å; T232-Q234 PolarHBondContact OG1-N 3.11Å; T232-T397 WeakPolarHBondContact O-CA 3.25Å; T232-T397 VanDerWaalsContact O-CB 3.3Å; T232-T397 WeakPolarHBondContact O-CB 3.45Å; T232-T397 PolarHBondContact O-OG1 2.92Å
233G98.4Very high98.7Very high1 Ų121.2 Ų21.21%0.0110%0.104CC..  trans76.87.8-174.400000114.1Q229 L235Q229-G233 VanDerWaalsContact O-CA 3.31Å; Q229-G233 WeakPolarHBondContact O-CA 3.34Å; Q229-G233 PolarHBondContact O-N 3.42Å; G233-L235 PolarHBondContact O-N 3.19Å
234Q98.9Very high98.7Very high3 Ų322.1 Ų22.11%0.01411%0.112CC..BIsolated β-bridgetrans-65.7125.5177.9175.2173.615.600111.3T203 L204 V228 Q229 T232 P398T203-Q234 VanDerWaalsContact CB-OE1 3.3Å; T203-Q234 HydrophobicContact CG2-CB 4.21Å; L204-Q234 PolarHBondContact O-NE2 3.19Å; V228-Q234 CarbonylContact C-O 3.54Å; V228-Q234 VanDerWaalsContact CA-O 3.24Å; V228-Q234 WeakPolarHBondContact CA-O 3.41Å; Q229-Q234 HydrophobicContact CB-CB 4.3Å; Q229-Q234 PolarHBondContact N-O 3.48Å; T232-Q234 PolarHBondContact O-N 3.26Å; T232-Q234 WeakPolarHBondContact OG1-CB 2.99Å; T232-Q234 PolarHBondContact OG1-N 3.11Å; Q234-P398 HydrophobicContact CB-CG 4.07Å; Q234-P398 HydrophobicContact CG-CG 4.12Å
235L98.9Very high98.7Very high25 Ų2522 Ų2213%0.13111%0.111CC..BIsolated β-bridgetrans-88.3122.1167.9173.461.6000108.9G227 V228 G233 M238 A263 Q403G227-L235 WeakPolarHBondContact O-CD1 3.49Å; V228-L235 HydrophobicContact CG2-CB 4.08Å; V228-L235 HydrophobicContact CG2-CD1 3.6Å; V228-L235 HydrophobicContact CG2-CG 4.41Å; G233-L235 PolarHBondContact O-N 3.19Å; L235-M238 HydrophobicContact CD1-CE 4.01Å; L235-A263 HydrophobicContact CD1-CB 3.79Å; L235-A263 HydrophobicContact CD2-CB 3.86Å; L235-Q403 PolarHBondContact N-O 3.01Å
236F98.8Very high98.7Very high6 Ų624.4 Ų24.43%0.02612%0.122CC..PPolyproline II helixtrans-82.6148.2178.3-71.3-83000111.6L204 I209 P226 G227 Q229 M238 I241L204-F236 HydrophobicContact CB-CE1 4.06Å; L204-F236 HydrophobicContact CD1-CE1 3.81Å; L204-F236 HydrophobicContact CD1-CZ 3.97Å; L204-F236 HydrophobicContact CG-CE1 4.49Å; I209-F236 HydrophobicContact CD1-CD1 3.56Å; I209-F236 HydrophobicContact CD1-CE1 3.57Å; P226-F236 HydrophobicContact CG-CD2 4.14Å; P226-F236 HydrophobicContact CG-CE2 3.75Å; P226-F236 WeakPolarHBondContact O-CD2 3.4Å; G227-F236 PolarHBondContact O-N 2.86Å; Q229-F236 HydrophobicContact CB-CE2 3.84Å; Q229-F236 HydrophobicContact CB-CZ 4.47Å; Q229-F236 HydrophobicContact CG-CE2 4.23Å; F236-M238 VanDerWaalsContact C-N 3.27Å; F236-M238 PolarHBondContact O-N 2.78Å; F236-I241 HydrophobicContact CB-CD1 4Å; F236-I241 HydrophobicContact CD1-CD1 4.31Å
237D98.8Very high98.7Very high76 Ų7631 Ų3141%0.40615%0.15SC..  trans-76.179.9172.2-169.1-22.1000110.2T206 H239 A240 I241T206-D237 HydrophobicContact CG2-CB 4.14Å; D237-H239 PolarHBondContact O-N 3.4Å; D237-H239 PolarHBondContact OD1-N 2.85Å; D237-A240 HydrophobicContact CB-CB 4.07Å; D237-A240 VanDerWaalsContact CG-CB 3.4Å; D237-A240 PolarHBondContact O-N 3.43Å; D237-A240 WeakPolarHBondContact OD1-CB 3.26Å; D237-A240 PolarHBondContact OD1-N 2.91Å; D237-A240 WeakPolarHBondContact OD2-CB 3.45Å; D237-I241 WeakPolarHBondContact O-CB 3.28Å; D237-I241 WeakPolarHBondContact O-CD1 3.33Å; D237-I241 VanDerWaalsContact O-CG1 3.26Å; D237-I241 WeakPolarHBondContact O-CG1 3.25Å; D237-I241 PolarHBondContact O-N 2.95Å
238M98.9Very high98.7Very high4 Ų432.4 Ų32.42%0.0216%0.156CC..Hα-helixtrans-55.3-36.1-178.1-74173.7-84.400112.1L235 F236 T242 F254 L265 W270L235-M238 HydrophobicContact CD1-CE 4.01Å; F236-M238 VanDerWaalsContact C-N 3.27Å; F236-M238 PolarHBondContact O-N 2.78Å; M238-T242 WeakPolarHBondContact O-CB 3Å; M238-T242 PolarHBondContact O-N 3.07Å; M238-T242 PolarHBondContact O-OG1 3.05Å; M238-F254 HydrophobicContact CB-CD2 4.43Å; M238-F254 HydrophobicContact CB-CE1 4.14Å; M238-F254 HydrophobicContact CB-CE2 3.97Å; M238-F254 HydrophobicContact CB-CZ 3.81Å; M238-F254 HydrophobicContact CG-CD1 3.67Å; M238-F254 HydrophobicContact CG-CD2 4.11Å; M238-F254 HydrophobicContact CG-CE1 3.59Å; M238-F254 HydrophobicContact CG-CE2 4.03Å; M238-F254 HydrophobicContact CG-CG 3.94Å; M238-F254 HydrophobicContact CG-CZ 3.77Å; M238-F254 HydrophobicContact SD-CB 4.45Å; M238-F254 HydrophobicContact SD-CD1 4.31Å; M238-F254 HydrophobicContact SD-CD2 4.41Å; M238-F254 HydrophobicContact SD-CG 4.14Å; M238-L265 HydrophobicContact CE-CD2 3.41Å; M238-L265 VanDerWaalsContact CE-CD2 3.41Å; M238-L265 HydrophobicContact SD-CD2 3.98Å; M238-W270 HydrophobicContact CB-CE3 4.05Å; M238-W270 HydrophobicContact CB-CZ3 4.17Å; M238-W270 HydrophobicContact CE-CH2 4.39Å; M238-W270 HydrophobicContact CE-CZ3 3.77Å; M238-W270 HydrophobicContact SD-CZ3 4.34Å
239H98.8Very high98.7Very high61 Ų6134.7 Ų34.728%0.28218%0.18SC..Hα-helixtrans-69.3-47.5-179.8177.6-143.4000112.1D237 T242 K243 W270D237-H239 PolarHBondContact O-N 3.4Å; D237-H239 PolarHBondContact OD1-N 2.85Å; H239-T242 PolarHBondContact O-N 3.22Å; H239-K243 PolarHBondContact CE1-NZ 2.91Å; H239-K243 WeakPolarHBondContact NE2-CE 3.38Å; H239-K243 PolarHBondContact NE2-NZ 2.81Å; H239-K243 PolarHBondContact O-N 3.42Å; H239-K243 VanDerWaalsContact O-N 3.07Å; H239-W270 HydrophobicContact CB-CB 4.21Å; H239-W270 HydrophobicContact CB-CD2 4.08Å; H239-W270 HydrophobicContact CB-CG 3.72Å; H239-W270 AromaticContact CD2-CD1 3.83Å; H239-W270 AromaticContact CG-CD1 3.63Å
240A98.9Very high98.7Very high25 Ų2534.3 Ų34.321%0.20718%0.179CC..Hα-helixtrans-63.8-42.6177.600000111.9L210 D237 K243 A244L210-A240 HydrophobicContact CD2-CB 4.37Å; D237-A240 HydrophobicContact CB-CB 4.07Å; D237-A240 VanDerWaalsContact CG-CB 3.4Å; D237-A240 PolarHBondContact O-N 3.43Å; D237-A240 WeakPolarHBondContact OD1-CB 3.26Å; D237-A240 PolarHBondContact OD1-N 2.91Å; D237-A240 WeakPolarHBondContact OD2-CB 3.45Å; A240-K243 PolarHBondContact O-N 3.17Å; A240-A244 WeakPolarHBondContact O-CB 3.43Å; A240-A244 PolarHBondContact O-N 2.82Å
241I98.9Very high98.7Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-63.8-44.4178.4-67.6166000110.8I209 L210 I213 V223 L225 F236 D237 A244 G245 V252 F254I209-I241 HydrophobicContact CD1-CD1 4.26Å; I209-I241 HydrophobicContact CG2-CD1 4.23Å; I209-I241 HydrophobicContact CG2-CG1 4.05Å; L210-I241 HydrophobicContact CD2-CG1 4.45Å; I213-I241 HydrophobicContact CD1-CG2 4.15Å; V223-I241 HydrophobicContact CG1-CG2 3.93Å; L225-I241 HydrophobicContact CD1-CD1 3.99Å; L225-I241 HydrophobicContact CD1-CG2 4.09Å; F236-I241 HydrophobicContact CB-CD1 4Å; F236-I241 HydrophobicContact CD1-CD1 4.31Å; D237-I241 WeakPolarHBondContact O-CB 3.28Å; D237-I241 WeakPolarHBondContact O-CD1 3.33Å; D237-I241 VanDerWaalsContact O-CG1 3.26Å; D237-I241 WeakPolarHBondContact O-CG1 3.25Å; D237-I241 PolarHBondContact O-N 2.95Å; I241-A244 PolarHBondContact O-N 2.86Å; I241-G245 PolarHBondContact O-N 2.87Å; I241-V252 HydrophobicContact CG2-CG1 4.12Å; I241-F254 HydrophobicContact CB-CZ 4.23Å; I241-F254 HydrophobicContact CG2-CE1 4.24Å; I241-F254 HydrophobicContact CG2-CZ 3.98Å
242T98.9Very high98.8Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-58.2-51.1177.1-60.50000111.1M238 H239 A244 G245 H246 V252 F254 W270M238-T242 WeakPolarHBondContact O-CB 3Å; M238-T242 PolarHBondContact O-N 3.07Å; M238-T242 PolarHBondContact O-OG1 3.05Å; H239-T242 PolarHBondContact O-N 3.22Å; T242-A244 VanDerWaalsContact C-N 3.35Å; T242-A244 PolarHBondContact O-N 3.05Å; T242-G245 PolarHBondContact O-N 3.28Å; T242-H246 WeakPolarHBondContact CG2-CE1 3.34Å; T242-H246 PolarHBondContact O-N 3.44Å; T242-V252 HydrophobicContact CG2-CB 4.44Å; T242-F254 WeakPolarHBondContact OG1-CE2 3.47Å; T242-W270 VanDerWaalsContact CG2-O 3.31Å; T242-W270 WeakPolarHBondContact CG2-O 3.43Å
243K98.9Very high98.8Very high128 Ų12832.9 Ų32.956%0.55717%0.173SC*.Hα-helixtrans-58.8-43.1177.7-80.1-176.6163.6166.50113.3H239 A240 K247H239-K243 PolarHBondContact CE1-NZ 2.91Å; H239-K243 WeakPolarHBondContact NE2-CE 3.38Å; H239-K243 PolarHBondContact NE2-NZ 2.81Å; H239-K243 PolarHBondContact O-N 3.42Å; H239-K243 VanDerWaalsContact O-N 3.07Å; A240-K243 PolarHBondContact O-N 3.17Å; K243-K247 WeakPolarHBondContact O-CB 3.32Å; K243-K247 PolarHBondContact O-N 2.8Å; K243-K247 VanDerWaalsContact O-N 3.11Å
244A98.9Very high98.9Very high20 Ų2032.9 Ų32.917%0.16517%0.173CC..Hα-helixtrans-65.9-43.5178.700000111.9L210 I213 A240 I241 T242 K247L210-A244 HydrophobicContact CD2-CB 3.69Å; I213-A244 HydrophobicContact CB-CB 4.39Å; I213-A244 HydrophobicContact CD1-CB 4.23Å; I213-A244 VanDerWaalsContact CG2-C 3.5Å; I213-A244 HydrophobicContact CG2-CB 3.9Å; I213-A244 WeakPolarHBondContact CG2-O 3.46Å; A240-A244 WeakPolarHBondContact O-CB 3.43Å; A240-A244 PolarHBondContact O-N 2.82Å; I241-A244 PolarHBondContact O-N 2.86Å; T242-A244 VanDerWaalsContact C-N 3.35Å; T242-A244 PolarHBondContact O-N 3.05Å; A244-K247 PolarHBondContact O-N 3.39Å
245G98.9Very high98.9Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-62.1-46.5177.700000112.2I241 T242 K247 K248 G249 C250I241-G245 PolarHBondContact O-N 2.87Å; T242-G245 PolarHBondContact O-N 3.28Å; G245-K247 VanDerWaalsContact C-N 3.35Å; G245-K247 PolarHBondContact O-N 3.06Å; G245-K248 CarbonylContact O-C 3.6Å; G245-K248 PolarHBondContact O-N 3.02Å; G245-G249 PolarHBondContact O-N 3.1Å; G245-C250 WeakPolarHBondContact O-CB 3.11Å; G245-C250 PolarHBondContact O-N 2.87Å
246H98.9Very high98.9Very high53 Ų5331.9 Ų31.925%0.24517%0.168CC..Hα-helixtrans-62-39.3177.7-67.8163.4000113.4T242 K248 G249 C250 D271 D273 K298T242-H246 WeakPolarHBondContact CG2-CE1 3.34Å; T242-H246 PolarHBondContact O-N 3.44Å; H246-K248 PolarHBondContact O-N 3.31Å; H246-K248 VanDerWaalsContact O-N 3.08Å; H246-G249 PolarHBondContact O-N 3.4Å; H246-C250 PolarHBondContact CD2-O 3.21Å; H246-D271 PolarHBondContact CE1-O 2.87Å; H246-D271 IonicContact CE1-OD2 3.85Å; H246-D271 IonicContact ND1-OD2 3.29Å; H246-D273 IonicContact CD2-OD2 3.07Å; H246-D273 IonicContact CE1-OD1 3.92Å; H246-D273 IonicContact CE1-OD2 3.43Å; H246-D273 VanDerWaalsContact NE2-CG 3.34Å; H246-D273 IonicContact NE2-OD1 2.65Å; H246-D273 PolarHBondContact NE2-OD1 2.79Å; H246-D273 IonicContact NE2-OD2 3.86Å; H246-D273 PolarHBondContact NE2-OD2 3.46Å; H246-K298 PolarHBondContact CE1-NZ 2.93Å; H246-K298 VanDerWaalsContact CE1-NZ 3.26Å
247K98.8Very high98.9Very high150 Ų15031.7 Ų31.765%0.65217%0.167SC*.Hα-helixtrans-56.1-27.2175.6-173.9-172.4168.8-149.10112.2E214 K243 A244 G245E214-K247 IonicContact OE1-NZ 3.82Å; E214-K247 IonicContact OE2-NZ 3.93Å; E214-K247 PolarHBondContact OE2-NZ 2.97Å; K243-K247 WeakPolarHBondContact O-CB 3.32Å; K243-K247 PolarHBondContact O-N 2.8Å; K243-K247 VanDerWaalsContact O-N 3.11Å; A244-K247 PolarHBondContact O-N 3.39Å; G245-K247 VanDerWaalsContact C-N 3.35Å; G245-K247 PolarHBondContact O-N 3.06Å
248K98.8Very high98.9Very high29 Ų2928.5 Ų28.513%0.12615%0.15CC..THydrogen-bonded Turntrans-101.23.7179-59.9-68.1-58.6-166.40113.7R160 I213 E214 D218 G245 H246R160-K248 PolarHBondContact NH1-O 3.3Å; R160-K248 PolarHBondContact NH2-O 3.43Å; I213-K248 HydrophobicContact CG2-CG 4.16Å; E214-K248 WeakPolarHBondContact O-CE 3.39Å; E214-K248 PolarHBondContact O-NZ 3.21Å; D218-K248 WeakPolarHBondContact OD1-CE 3.49Å; D218-K248 IonicContact OD1-NZ 2.78Å; D218-K248 WeakPolarHBondContact OD2-CE 3.3Å; D218-K248 IonicContact OD2-NZ 3.56Å; D218-K248 PolarHBondContact OD2-NZ 3.45Å; G245-K248 CarbonylContact O-C 3.6Å; G245-K248 PolarHBondContact O-N 3.02Å; H246-K248 PolarHBondContact O-N 3.31Å; H246-K248 VanDerWaalsContact O-N 3.08Å
249G98.4Very high98.9Very high51 Ų5128.3 Ų28.353%0.52615%0.149SC..THydrogen-bonded Turntrans77.517.8179.900000114.9G245 H246G245-G249 PolarHBondContact O-N 3.1Å; H246-G249 PolarHBondContact O-N 3.4Å
250C98.8Very high98.9Very high4 Ų425.5 Ų25.53%0.02714%0.136CC..  trans-79.7147.9174.4-49.90000110.5G217 I220 V223 G245 H246G217-C250 PolarHBondContact O-SG 2.76Å; I220-C250 HydrophobicContact CG2-CB 4.32Å; I220-C250 PolarHBondContact O-SG 2.73Å; I220-C250 VanDerWaalsContact O-SG 3.42Å; V223-C250 HydrophobicContact CG2-CB 4.29Å; G245-C250 WeakPolarHBondContact O-CB 3.11Å; G245-C250 PolarHBondContact O-N 2.87Å; H246-C250 PolarHBondContact CD2-O 3.21Å
251F98.9Very high98.9Very high55 Ų5524.6 Ų24.624%0.24113%0.13CC..EExtended strand (participates in β ladder)trans-75.8144154.6-69.4-65.8000109.7F153 A221 M222 V223 D273 H299 I303F153-F251 HydrophobicContact CD1-CB 4.31Å; F153-F251 AromaticContact CD1-CD1 3.69Å; F153-F251 HydrophobicContact CD1-CD1 3.69Å; F153-F251 HydrophobicContact CD1-CD2 4.23Å; F153-F251 AromaticContact CD1-CE1 3.98Å; F153-F251 HydrophobicContact CD1-CE1 3.98Å; F153-F251 HydrophobicContact CD1-CE2 4.5Å; F153-F251 AromaticContact CD1-CG 3.82Å; F153-F251 HydrophobicContact CD1-CG 3.82Å; F153-F251 HydrophobicContact CD1-CZ 4.38Å; F153-F251 HydrophobicContact CE1-CD1 4.02Å; F153-F251 HydrophobicContact CE1-CE1 4.15Å; F153-F251 WeakPolarHBondContact O-CD2 3.42Å; A221-F251 PolarHBondContact O-N 2.97Å; A221-F251 VanDerWaalsContact O-N 3.14Å; M222-F251 CarbonylContact C-O 3.57Å; M222-F251 VanDerWaalsContact CA-O 3.27Å; M222-F251 WeakPolarHBondContact CA-O 3.39Å; V223-F251 PolarHBondContact N-O 2.86Å; F251-D273 WeakPolarHBondContact CA-OD2 3.48Å; F251-D273 HydrophobicContact CD1-CB 4.24Å; F251-H299 AromaticContact CE1-CE1 3.73Å; F251-I303 HydrophobicContact CE1-CD1 4.45Å; F251-I303 HydrophobicContact CZ-CD1 4.02Å
252V98.9Very high98.9Very high0 Ų024.8 Ų24.80%013%0.131CC..EExtended strand (participates in β ladder)trans-127116.5179.6-173.60000109.4V223 I241 T242 F254 D273V223-V252 HydrophobicContact CB-CB 4.39Å; V223-V252 HydrophobicContact CB-CG1 4.06Å; V223-V252 HydrophobicContact CB-CG2 4.14Å; V223-V252 HydrophobicContact CG1-CG1 4.22Å; V223-V252 HydrophobicContact CG2-CG2 4.24Å; I241-V252 HydrophobicContact CG2-CG1 4.12Å; T242-V252 HydrophobicContact CG2-CB 4.44Å; V252-F254 HydrophobicContact CG1-CE2 3.64Å; V252-F254 HydrophobicContact CG1-CZ 3.62Å; V252-D273 PolarHBondContact N-OD2 3.28Å; V252-D273 WeakPolarHBondContact O-CB 3.18Å; V252-D273 PolarHBondContact O-N 3.47Å
253G98.9Very high98.8Very high0 Ų024.8 Ų24.80%013%0.131CC..EExtended strand (participates in β ladder)trans-129.3162.1175.700000113.1V223 L225 F274V223-G253 PolarHBondContact O-N 3.43Å; L225-G253 PolarHBondContact N-O 3.02Å; G253-F274 WeakPolarHBondContact CA-O 3.14Å
254F98.9Very high98.6Very high0 Ų021.9 Ų21.90%012%0.121CC..EExtended strand (participates in β ladder)trans-133141.1-176.2-59.6-87.1000114.3L225 M238 I241 T242 V252 V272 F274 A275 C276L225-F254 HydrophobicContact CB-CD1 4.15Å; L225-F254 HydrophobicContact CB-CE1 4.16Å; L225-F254 WeakPolarHBondContact O-CA 3.49Å; L225-F254 WeakPolarHBondContact O-CD1 3.33Å; M238-F254 HydrophobicContact CB-CD2 4.43Å; M238-F254 HydrophobicContact CB-CE1 4.14Å; M238-F254 HydrophobicContact CB-CE2 3.97Å; M238-F254 HydrophobicContact CB-CZ 3.81Å; M238-F254 HydrophobicContact CG-CD1 3.67Å; M238-F254 HydrophobicContact CG-CD2 4.11Å; M238-F254 HydrophobicContact CG-CE1 3.59Å; M238-F254 HydrophobicContact CG-CE2 4.03Å; M238-F254 HydrophobicContact CG-CG 3.94Å; M238-F254 HydrophobicContact CG-CZ 3.77Å; M238-F254 HydrophobicContact SD-CB 4.45Å; M238-F254 HydrophobicContact SD-CD1 4.31Å; M238-F254 HydrophobicContact SD-CD2 4.41Å; M238-F254 HydrophobicContact SD-CG 4.14Å; I241-F254 HydrophobicContact CB-CZ 4.23Å; I241-F254 HydrophobicContact CG2-CE1 4.24Å; I241-F254 HydrophobicContact CG2-CZ 3.98Å; T242-F254 WeakPolarHBondContact OG1-CE2 3.47Å; V252-F254 HydrophobicContact CG1-CE2 3.64Å; V252-F254 HydrophobicContact CG1-CZ 3.62Å; F254-V272 HydrophobicContact CD2-CG1 3.73Å; F254-V272 HydrophobicContact CD2-CG2 4.12Å; F254-V272 HydrophobicContact CE2-CG1 4.13Å; F254-V272 HydrophobicContact CE2-CG2 3.96Å; F254-F274 PolarHBondContact N-O 3.47Å; F254-A275 WeakPolarHBondContact O-CA 3.42Å; F254-A275 WeakPolarHBondContact O-CB 3.45Å; F254-C276 PolarHBondContact O-N 3.49Å; F254-C276 VanDerWaalsContact O-N 3.07Å
255D98.9Very high98.6Very high8 Ų821.4 Ų21.44%0.04312%0.116CC..EExtended strand (participates in β ladder)trans-84.9109.3160.6-175-62.8000108.9L142 D173 M224 L225 P226 G227 A257L142-D255 VanDerWaalsContact CD1-OD2 3.28Å; L142-D255 WeakPolarHBondContact CD1-OD2 3.45Å; L142-D255 WeakPolarHBondContact CD2-OD2 3.44Å; D173-D255 VanDerWaalsContact OD1-CB 3.25Å; D173-D255 WeakPolarHBondContact OD1-CB 3.5Å; M224-D255 HydrophobicContact CE-CB 3.82Å; M224-D255 VanDerWaalsContact CE-N 3.26Å; L225-D255 PolarHBondContact O-N 2.74Å; P226-D255 CarbonylContact C-O 3.4Å; P226-D255 VanDerWaalsContact CA-O 3.23Å; P226-D255 WeakPolarHBondContact CA-O 3.32Å; G227-D255 PolarHBondContact N-O 3.33Å; D255-A257 WeakPolarHBondContact OD1-CA 3.42Å; D255-A257 WeakPolarHBondContact OD1-CB 3.43Å; D255-A257 PolarHBondContact OD1-N 3.19Å
256C98.9Very high98.6Very high0 Ų026.3 Ų26.30%014%0.137CC..  trans-94.218.3-177.8-64.90000113H258 A259 V260 L265 C276 W277C256-H258 VanDerWaalsContact C-N 3.26Å; C256-H258 PolarHBondContact O-N 3.27Å; C256-H258 VanDerWaalsContact O-N 3.17Å; C256-A259 HydrophobicContact CB-CB 4.17Å; C256-A259 PolarHBondContact O-N 3.35Å; C256-V260 WeakPolarHBondContact O-CG1 3.34Å; C256-V260 PolarHBondContact O-N 2.97Å; C256-L265 HydrophobicContact CB-CD1 4.38Å; C256-C276 PolarHBondContact N-O 3.06Å; C256-W277 HydrophobicContact CB-CB 4.08Å; C256-W277 HydrophobicContact CB-CE3 4.47Å
257A98.9Very high98.6Very high2 Ų223.8 Ų23.82%0.01713%0.125CC..THydrogen-bonded Turntrans-57.1-36.4-174.600000114L142 D255 K281L142-A257 HydrophobicContact CD2-CB 3.59Å; D255-A257 WeakPolarHBondContact OD1-CA 3.42Å; D255-A257 WeakPolarHBondContact OD1-CB 3.43Å; D255-A257 PolarHBondContact OD1-N 3.19Å; A257-K281 HydrophobicContact CB-CD 4.47Å; A257-K281 WeakPolarHBondContact O-CD 3.34Å
258H98.9Very high98.6Very high8 Ų818.3 Ų18.34%0.03710%0.102CC..THydrogen-bonded Turntrans-98.1-1.4174.8-78.7-79.1000113.5N79 V228 Y230 C256 N262 K281 Y282 R439N79-H258 PolarHBondContact O-CE1 3.46Å; N79-H258 PolarHBondContact O-ND1 3.1Å; V228-H258 HydrophobicContact CB-CB 3.73Å; V228-H258 HydrophobicContact CG1-CB 3.96Å; Y230-H258 VanDerWaalsContact CB-CD2 3.43Å; Y230-H258 WeakPolarHBondContact CB-CD2 3.08Å; Y230-H258 WeakPolarHBondContact CB-NE2 3.13Å; C256-H258 VanDerWaalsContact C-N 3.26Å; C256-H258 PolarHBondContact O-N 3.27Å; C256-H258 VanDerWaalsContact O-N 3.17Å; H258-N262 PolarHBondContact O-ND2 3.15Å; H258-K281 PolarHBondContact CD2-NZ 3.36Å; H258-K281 VanDerWaalsContact CD2-NZ 3.29Å; H258-K281 PolarHBondContact NE2-NZ 3.32Å; H258-Y282 WeakPolarHBondContact O-CE2 3.37Å; H258-R439 PolarHBondContact CE1-NH1 3Å
259A98.9Very high98.6Very high0 Ų022.4 Ų22.40%013%0.125CC..THydrogen-bonded Turntrans-101.3-41.6-178.700000112.5V228 C256 G261 N262 A263 L265V228-A259 HydrophobicContact CG2-CB 3.96Å; C256-A259 HydrophobicContact CB-CB 4.17Å; C256-A259 PolarHBondContact O-N 3.35Å; A259-G261 PolarHBondContact O-N 3.42Å; A259-N262 WeakPolarHBondContact O-CB 3.5Å; A259-N262 PolarHBondContact O-N 2.78Å; A259-A263 PolarHBondContact O-N 3.43Å; A259-L265 HydrophobicContact CB-CD1 4.47Å; A259-L265 HydrophobicContact CB-CD2 4.1Å
260V98.9Very high98.6Very high2 Ų222.3 Ų22.31%0.01211%0.109CC..THydrogen-bonded Turntrans-60.4131.6-17870.90000111.1M125 I128 V129 C256 N262 L265 W277 Y282 L283M125-V260 HydrophobicContact CE-CG2 3.39Å; I128-V260 HydrophobicContact CG2-CG2 3.96Å; V129-V260 HydrophobicContact CG1-CG2 3.84Å; C256-V260 WeakPolarHBondContact O-CG1 3.34Å; C256-V260 PolarHBondContact O-N 2.97Å; V260-N262 PolarHBondContact O-N 3.36Å; V260-L265 HydrophobicContact CB-CD1 4.36Å; V260-W277 HydrophobicContact CB-CB 4.14Å; V260-W277 HydrophobicContact CB-CG 4.08Å; V260-W277 HydrophobicContact CG1-CB 3.7Å; V260-W277 HydrophobicContact CG1-CG 3.87Å; V260-W277 HydrophobicContact CG2-CD2 4.45Å; V260-W277 HydrophobicContact CG2-CG 4.14Å; V260-Y282 WeakPolarHBondContact O-CB 3.46Å; V260-L283 HydrophobicContact CB-CD1 4.42Å; V260-L283 HydrophobicContact CG1-CD1 3.8Å; V260-L283 HydrophobicContact CG1-CG 4.05Å; V260-L283 HydrophobicContact CG2-CD1 3.7Å; V260-L283 HydrophobicContact CG2-CD2 4.28Å; V260-L283 HydrophobicContact CG2-CG 4.13Å
261G98.7Very high98.6Very high7 Ų725 Ų257%0.07212%0.123CC..THydrogen-bonded Turntrans67.49.3-176.200000115A259A259-G261 PolarHBondContact O-N 3.42Å
262N98.8Very high98.6Very high4 Ų422.4 Ų22.42%0.02111%0.112CC..THydrogen-bonded Turntrans-127.5-57-177171.230.5000112.7H258 A259 V260 Y282 G405 C406H258-N262 PolarHBondContact O-ND2 3.15Å; A259-N262 WeakPolarHBondContact O-CB 3.5Å; A259-N262 PolarHBondContact O-N 2.78Å; V260-N262 PolarHBondContact O-N 3.36Å; N262-Y282 HydrophobicContact CB-CD1 3.97Å; N262-Y282 HydrophobicContact CB-CD2 3.61Å; N262-Y282 HydrophobicContact CB-CE1 4.01Å; N262-Y282 HydrophobicContact CB-CE2 3.65Å; N262-Y282 HydrophobicContact CB-CG 3.76Å; N262-Y282 PolarHBondContact ND2-OH 2.79Å; N262-G405 WeakPolarHBondContact OD1-CA 3.21Å; N262-C406 PolarHBondContact OD1-N 3.22Å; N262-C406 PolarHBondContact OD1-SG 3.43Å
263A97.8Very high98.6Very high0 Ų022.6 Ų22.60%011%0.113CC..SBendtrans-98.5157.6174.600000110L235 A259 L265L235-A263 HydrophobicContact CD1-CB 3.79Å; L235-A263 HydrophobicContact CD2-CB 3.86Å; A259-A263 PolarHBondContact O-N 3.43Å; A263-L265 PolarHBondContact O-N 3.37Å
264D95.1Very high98.6Very high67 Ų6722.6 Ų22.636%0.35811%0.113SC..  trans-65.9131.2168.4-67.5-33.8000108.8W270D264-W270 WeakPolarHBondContact O-CH2 3.2Å
265L98.6Very high98.6Very high10 Ų1022.6 Ų22.65%0.05211%0.113CC..  trans-121.7137.7176.2-66.3-178.4000109.2V129 G130 M238 C256 A259 V260 A263 W270V129-L265 CarbonylContact C-O 3.44Å; V129-L265 HydrophobicContact CB-CD1 4.35Å; V129-L265 HydrophobicContact CG1-CD1 4.16Å; V129-L265 CarbonylContact O-C 3.33Å; V129-L265 WeakPolarHBondContact O-CB 3.47Å; G130-L265 WeakPolarHBondContact CA-O 3.49Å; M238-L265 HydrophobicContact CE-CD2 3.41Å; M238-L265 VanDerWaalsContact CE-CD2 3.41Å; M238-L265 HydrophobicContact SD-CD2 3.98Å; C256-L265 HydrophobicContact CB-CD1 4.38Å; A259-L265 HydrophobicContact CB-CD1 4.47Å; A259-L265 HydrophobicContact CB-CD2 4.1Å; V260-L265 HydrophobicContact CB-CD1 4.36Å; A263-L265 PolarHBondContact O-N 3.37Å; L265-W270 HydrophobicContact CD2-CZ3 4.2Å
266K98.8Very high98.6Very high103 Ų10322.2 Ų22.245%0.44811%0.111SC..  trans-134.859.6172.8-52.5-174.3176.5-169.60109.5G130 H268 D269 W270G130-K266 CarbonylContact O-C 3.47Å; K266-H268 PolarHBondContact O-N 3.46Å; K266-D269 HydrophobicContact CB-CB 4.05Å; K266-D269 PolarHBondContact O-N 2.7Å; K266-W270 HydrophobicContact CB-CD2 3.86Å; K266-W270 HydrophobicContact CB-CE3 4.35Å; K266-W270 HydrophobicContact CB-CG 4.19Å; K266-W270 HydrophobicContact CB-CZ2 4.07Å; K266-W270 HydrophobicContact CD-CZ2 4.42Å; K266-W270 HydrophobicContact CG-CZ2 4.06Å; K266-W270 VanDerWaalsContact O-CB 3.25Å; K266-W270 WeakPolarHBondContact O-CB 3.38Å; K266-W270 PolarHBondContact O-N 3.41Å
267L98.9Very high98.6Very high0 Ų022.2 Ų22.20%011%0.111CC..THydrogen-bonded Turntrans-56.7-38.7-170-64.2-177.4000112.5V129 G130 D271 V272 A275 W277 F294V129-L267 HydrophobicContact CB-CD1 3.81Å; V129-L267 HydrophobicContact CB-CG 4.29Å; V129-L267 HydrophobicContact CG2-CD1 4.14Å; V129-L267 WeakPolarHBondContact O-CG 3.42Å; V129-L267 PolarHBondContact O-N 3.15Å; V129-L267 VanDerWaalsContact O-N 3.07Å; G130-L267 PolarHBondContact O-N 3.28Å; L267-D271 PolarHBondContact O-N 3.04Å; L267-V272 HydrophobicContact CD2-CB 4.33Å; L267-V272 HydrophobicContact CD2-CG1 4.35Å; L267-V272 HydrophobicContact CD2-CG2 4.03Å; L267-V272 PolarHBondContact O-N 3.41Å; L267-V272 VanDerWaalsContact O-N 3.14Å; L267-A275 HydrophobicContact CD1-CB 3.86Å; L267-A275 HydrophobicContact CD2-CB 4.38Å; L267-W277 HydrophobicContact CD1-CZ3 4.26Å; L267-F294 HydrophobicContact CB-CD1 4.03Å; L267-F294 HydrophobicContact CB-CD2 4.25Å; L267-F294 HydrophobicContact CB-CE1 3.76Å; L267-F294 HydrophobicContact CB-CE2 3.97Å; L267-F294 HydrophobicContact CB-CG 4.28Å; L267-F294 HydrophobicContact CB-CZ 3.72Å; L267-F294 HydrophobicContact CD1-CB 3.93Å; L267-F294 HydrophobicContact CD1-CD1 3.9Å; L267-F294 HydrophobicContact CD1-CD2 4.21Å; L267-F294 HydrophobicContact CD1-CE1 4.47Å; L267-F294 HydrophobicContact CD1-CG 3.75Å
268H98.9Very high98.6Very high35 Ų3522.2 Ų22.216%0.16211%0.111CC..THydrogen-bonded Turntrans-67.1-57.3174.2-177.379000111.8G130 K132 E135 K266 W270 D271 H296 E297G130-H268 WeakPolarHBondContact O-CB 3.4Å; G130-H268 PolarHBondContact O-N 3.01Å; K132-H268 WeakPolarHBondContact CE-CE1 3.39Å; K132-H268 VanDerWaalsContact CE-NE2 3.29Å; K132-H268 WeakPolarHBondContact CE-NE2 3.42Å; K132-H268 PolarHBondContact NZ-CE1 3.41Å; K132-H268 PolarHBondContact NZ-NE2 3.44Å; E135-H268 IonicContact OE1-CE1 3.21Å; E135-H268 IonicContact OE1-CG 3.56Å; E135-H268 IonicContact OE1-ND1 3.62Å; E135-H268 PolarHBondContact OE1-ND1 2.9Å; E135-H268 IonicContact OE2-CG 2.83Å; E135-H268 IonicContact OE2-ND1 2.77Å; E135-H268 PolarHBondContact OE2-ND1 3.41Å; E135-H268 VanDerWaalsContact OE2-ND1 3.14Å; K266-H268 PolarHBondContact O-N 3.46Å; H268-W270 PolarHBondContact O-N 2.77Å; H268-W270 VanDerWaalsContact O-N 3.16Å; H268-D271 WeakPolarHBondContact O-CA 3.27Å; H268-D271 PolarHBondContact O-N 3.25Å; H268-H296 AromaticContact CE1-CE1 3.87Å; H268-H296 AromaticContact CE1-NE2 3.68Å; H268-H296 AromaticContact CG-NE2 3.99Å; H268-H296 AromaticContact ND1-CD2 3.94Å; H268-H296 AromaticContact ND1-CE1 3.94Å; H268-H296 AromaticContact ND1-NE2 3.42Å; H268-H296 PolarHBondContact ND1-NE2 3.19Å; H268-H296 PolarHBondContact O-NE2 2.81Å; H268-H296 VanDerWaalsContact O-NE2 3.12Å; H268-E297 IonicContact CE1-OE1 3.82Å; H268-E297 PolarHBondContact CE1-OE1 3.47Å; H268-E297 VanDerWaalsContact CE1-OE1 3.3Å; H268-E297 IonicContact NE2-OE1 2.72Å
269D98.8Very high98.6Very high114 Ų11421.9 Ų21.961%0.6111%0.109SC*.THydrogen-bonded Turntrans-63.8-26.8-175.8-61.5-19.6000113.4K266K266-D269 HydrophobicContact CB-CB 4.05Å; K266-D269 PolarHBondContact O-N 2.7Å
270W98.9Very high98.6Very high50 Ų5025 Ų2519%0.18912%0.121CC..THydrogen-bonded Turntrans-83.7-1.1175.5-63.9-20.7000113.5M238 H239 T242 D264 L265 K266 H268 V272M238-W270 HydrophobicContact CB-CE3 4.05Å; M238-W270 HydrophobicContact CB-CZ3 4.17Å; M238-W270 HydrophobicContact CE-CH2 4.39Å; M238-W270 HydrophobicContact CE-CZ3 3.77Å; M238-W270 HydrophobicContact SD-CZ3 4.34Å; H239-W270 HydrophobicContact CB-CB 4.21Å; H239-W270 HydrophobicContact CB-CD2 4.08Å; H239-W270 HydrophobicContact CB-CG 3.72Å; H239-W270 AromaticContact CD2-CD1 3.83Å; H239-W270 AromaticContact CG-CD1 3.63Å; T242-W270 VanDerWaalsContact CG2-O 3.31Å; T242-W270 WeakPolarHBondContact CG2-O 3.43Å; D264-W270 WeakPolarHBondContact O-CH2 3.2Å; L265-W270 HydrophobicContact CD2-CZ3 4.2Å; K266-W270 HydrophobicContact CB-CD2 3.86Å; K266-W270 HydrophobicContact CB-CE3 4.35Å; K266-W270 HydrophobicContact CB-CG 4.19Å; K266-W270 HydrophobicContact CB-CZ2 4.07Å; K266-W270 HydrophobicContact CD-CZ2 4.42Å; K266-W270 HydrophobicContact CG-CZ2 4.06Å; K266-W270 VanDerWaalsContact O-CB 3.25Å; K266-W270 WeakPolarHBondContact O-CB 3.38Å; K266-W270 PolarHBondContact O-N 3.41Å; H268-W270 PolarHBondContact O-N 2.77Å; H268-W270 VanDerWaalsContact O-N 3.16Å; W270-V272 HydrophobicContact CB-CG2 4.11Å; W270-V272 PolarHBondContact O-N 3.44Å
271D98.8Very high98.6Very high60 Ų6025.5 Ų25.532%0.32112%0.123SC..THydrogen-bonded Turntrans61.623.5177.1-16134000113.5H246 L267 H268 D273 H296 K298H246-D271 PolarHBondContact CE1-O 2.87Å; H246-D271 IonicContact CE1-OD2 3.85Å; H246-D271 IonicContact ND1-OD2 3.29Å; L267-D271 PolarHBondContact O-N 3.04Å; H268-D271 WeakPolarHBondContact O-CA 3.27Å; H268-D271 PolarHBondContact O-N 3.25Å; D271-D273 PolarHBondContact O-N 3.46Å; D271-H296 IonicContact OD1-CD2 2.68Å; D271-H296 IonicContact OD1-CE1 2.82Å; D271-H296 PolarHBondContact OD1-CE1 2.66Å; D271-H296 IonicContact OD1-ND1 3.95Å; D271-H296 IonicContact OD1-NE2 2.74Å; D271-K298 PolarHBondContact O-NZ 3.38Å; D271-K298 VanDerWaalsContact OD1-CD 3.26Å; D271-K298 WeakPolarHBondContact OD1-CD 3.32Å; D271-K298 WeakPolarHBondContact OD1-CE 3.45Å; D271-K298 IonicContact OD1-NZ 3.93Å; D271-K298 PolarHBondContact OD1-NZ 3.07Å; D271-K298 IonicContact OD2-NZ 2.69Å; D271-K298 PolarHBondContact OD2-NZ 2.9Å
272V98.9Very high98.6Very high0 Ų025.5 Ų25.50%012%0.121CC..  trans-54.1137178.7173.50000109.3F254 L267 W270 F274 F294 H296F254-V272 HydrophobicContact CD2-CG1 3.73Å; F254-V272 HydrophobicContact CD2-CG2 4.12Å; F254-V272 HydrophobicContact CE2-CG1 4.13Å; F254-V272 HydrophobicContact CE2-CG2 3.96Å; L267-V272 HydrophobicContact CD2-CB 4.33Å; L267-V272 HydrophobicContact CD2-CG1 4.35Å; L267-V272 HydrophobicContact CD2-CG2 4.03Å; L267-V272 PolarHBondContact O-N 3.41Å; L267-V272 VanDerWaalsContact O-N 3.14Å; W270-V272 HydrophobicContact CB-CG2 4.11Å; W270-V272 PolarHBondContact O-N 3.44Å; V272-F274 VanDerWaalsContact CG1-O 3.32Å; V272-F274 WeakPolarHBondContact CG1-O 3.38Å; V272-F294 HydrophobicContact CB-CE1 4.2Å; V272-F294 HydrophobicContact CG1-CE1 4.33Å; V272-F294 WeakPolarHBondContact O-CE1 3.43Å; V272-H296 VanDerWaalsContact O-CB 3.24Å; V272-H296 WeakPolarHBondContact O-CB 3.35Å
273D98.9Very high98.6Very high4 Ų425.3 Ų25.32%0.02112%0.12CC..SBendtrans-75.5-44.4-175.5-64.5-59.6000112.5F153 H246 F251 V252 D271 H296 K298 H299F153-D273 HydrophobicContact CE1-CB 4.03Å; H246-D273 IonicContact CD2-OD2 3.07Å; H246-D273 IonicContact CE1-OD1 3.92Å; H246-D273 IonicContact CE1-OD2 3.43Å; H246-D273 VanDerWaalsContact NE2-CG 3.34Å; H246-D273 IonicContact NE2-OD1 2.65Å; H246-D273 PolarHBondContact NE2-OD1 2.79Å; H246-D273 IonicContact NE2-OD2 3.86Å; H246-D273 PolarHBondContact NE2-OD2 3.46Å; F251-D273 WeakPolarHBondContact CA-OD2 3.48Å; F251-D273 HydrophobicContact CD1-CB 4.24Å; V252-D273 PolarHBondContact N-OD2 3.28Å; V252-D273 WeakPolarHBondContact O-CB 3.18Å; V252-D273 PolarHBondContact O-N 3.47Å; D271-D273 PolarHBondContact O-N 3.46Å; D273-H296 PolarHBondContact O-N 3.03Å; D273-K298 WeakPolarHBondContact OD1-CE 3.49Å; D273-K298 IonicContact OD1-NZ 3.94Å; D273-K298 PolarHBondContact OD1-NZ 3.03Å; D273-H299 IonicContact OD1-CD2 3.14Å; D273-H299 IonicContact OD1-CE1 3.6Å; D273-H299 IonicContact OD1-NE2 3.61Å; D273-H299 PolarHBondContact OD1-NE2 2.9Å
274F98.9Very high98.7Very high0 Ų025.4 Ų25.40%012%0.121CC..EExtended strand (participates in β ladder)trans-154158.2175.766.6-85.5000111.4L149 F153 M222 M224 G253 F254 V272 F294 I295L149-F274 HydrophobicContact CB-CD2 3.87Å; L149-F274 HydrophobicContact CB-CE2 4.27Å; L149-F274 HydrophobicContact CB-CG 4.41Å; L149-F274 HydrophobicContact CD1-CB 4.44Å; L149-F274 HydrophobicContact CD1-CD2 3.86Å; L149-F274 HydrophobicContact CD2-CB 4.27Å; L149-F274 HydrophobicContact CG-CD2 4.35Å; F153-F274 HydrophobicContact CB-CD1 4.12Å; F153-F274 HydrophobicContact CB-CE1 3.87Å; F153-F274 AromaticContact CD1-CD1 3.8Å; F153-F274 HydrophobicContact CD1-CD1 3.8Å; F153-F274 HydrophobicContact CD1-CE1 4.21Å; F153-F274 HydrophobicContact CD2-CB 4.19Å; F153-F274 AromaticContact CD2-CD1 3.61Å; F153-F274 HydrophobicContact CD2-CD1 3.61Å; F153-F274 HydrophobicContact CD2-CE1 4.2Å; F153-F274 AromaticContact CD2-CG 3.94Å; F153-F274 HydrophobicContact CD2-CG 3.94Å; F153-F274 HydrophobicContact CE1-CD1 4.04Å; F153-F274 HydrophobicContact CE2-CB 3.71Å; F153-F274 AromaticContact CE2-CD1 3.88Å; F153-F274 HydrophobicContact CE2-CD1 3.88Å; F153-F274 AromaticContact CE2-CG 3.99Å; F153-F274 HydrophobicContact CE2-CG 3.99Å; F153-F274 AromaticContact CG-CD1 3.57Å; F153-F274 HydrophobicContact CG-CD1 3.57Å; F153-F274 AromaticContact CG-CE1 3.85Å; F153-F274 HydrophobicContact CG-CE1 3.85Å; F153-F274 HydrophobicContact CG-CG 4.36Å; F153-F274 HydrophobicContact CZ-CB 4.01Å; F153-F274 HydrophobicContact CZ-CD1 4.08Å; F153-F274 HydrophobicContact CZ-CG 4.43Å; M222-F274 HydrophobicContact CE-CE1 3.75Å; M222-F274 HydrophobicContact CE-CZ 3.69Å; M222-F274 HydrophobicContact CG-CZ 4.32Å; M222-F274 HydrophobicContact SD-CE1 4.29Å; M222-F274 HydrophobicContact SD-CZ 3.74Å; M224-F274 HydrophobicContact SD-CE2 3.84Å; M224-F274 HydrophobicContact SD-CZ 4.07Å; G253-F274 WeakPolarHBondContact CA-O 3.14Å; F254-F274 PolarHBondContact N-O 3.47Å; V272-F274 VanDerWaalsContact CG1-O 3.32Å; V272-F274 WeakPolarHBondContact CG1-O 3.38Å; F274-F294 CarbonylContact C-O 3.4Å; F274-F294 WeakPolarHBondContact CA-O 3.37Å; F274-F294 WeakPolarHBondContact CB-O 3.37Å; F274-I295 HydrophobicContact CB-CG1 4.44Å
275A99Very high98.8Very high0 Ų022.4 Ų22.40%011%0.105CC..EExtended strand (participates in β ladder)trans-148.7162.4170.900000111L149 F254 L267 W277 A293 F294L149-A275 WeakPolarHBondContact CD1-O 3.39Å; F254-A275 WeakPolarHBondContact O-CA 3.42Å; F254-A275 WeakPolarHBondContact O-CB 3.45Å; L267-A275 HydrophobicContact CD1-CB 3.86Å; L267-A275 HydrophobicContact CD2-CB 4.38Å; A275-W277 HydrophobicContact CB-CZ3 4.46Å; A275-A293 CarbonylContact O-C 3.18Å; A275-A293 WeakPolarHBondContact O-CA 3.29Å; A275-F294 HydrophobicContact CB-CB 4.2Å; A275-F294 HydrophobicContact CB-CD1 4.26Å; A275-F294 PolarHBondContact N-O 3.36Å; A275-F294 PolarHBondContact O-N 2.76Å
276C98.9Very high98.8Very high0 Ų023.5 Ų23.50%012%0.119CC..EExtended strand (participates in β ladder)trans-141.7154.517254.30000111.1L142 N145 L149 F254 C256 G292L142-C276 HydrophobicContact CD1-CB 3.81Å; N145-C276 HydrophobicContact CB-CB 4.17Å; L149-C276 HydrophobicContact CD1-CB 4.01Å; F254-C276 PolarHBondContact O-N 3.49Å; F254-C276 VanDerWaalsContact O-N 3.07Å; C256-C276 PolarHBondContact N-O 3.06Å; C276-G292 WeakPolarHBondContact CA-O 3.45Å
277W98.9Very high98.8Very high0 Ų022.6 Ų22.60%013%0.13CC..EExtended strand (participates in β ladder)trans-152.4159.3177.857.191.3000112.3M125 V129 V136 L142 C256 V260 L267 A275 A291 G292 F294M125-W277 HydrophobicContact CE-CZ2 4.21Å; M125-W277 HydrophobicContact CG-CZ2 3.66Å; M125-W277 HydrophobicContact SD-CZ2 4.18Å; M125-W277 PolarHBondContact SD-NE1 3.42Å; V129-W277 HydrophobicContact CG1-CD2 4.5Å; V129-W277 HydrophobicContact CG1-CE3 4.45Å; V129-W277 HydrophobicContact CG1-CH2 3.97Å; V129-W277 HydrophobicContact CG1-CZ2 3.98Å; V129-W277 HydrophobicContact CG1-CZ3 4.19Å; V129-W277 HydrophobicContact CG2-CH2 4.21Å; V136-W277 HydrophobicContact CG1-CH2 4.08Å; V136-W277 HydrophobicContact CG1-CZ2 3.95Å; V136-W277 HydrophobicContact CG2-CH2 4.31Å; L142-W277 VanDerWaalsContact CD1-CA 3.47Å; C256-W277 HydrophobicContact CB-CB 4.08Å; C256-W277 HydrophobicContact CB-CE3 4.47Å; V260-W277 HydrophobicContact CB-CB 4.14Å; V260-W277 HydrophobicContact CB-CG 4.08Å; V260-W277 HydrophobicContact CG1-CB 3.7Å; V260-W277 HydrophobicContact CG1-CG 3.87Å; V260-W277 HydrophobicContact CG2-CD2 4.45Å; V260-W277 HydrophobicContact CG2-CG 4.14Å; L267-W277 HydrophobicContact CD1-CZ3 4.26Å; A275-W277 HydrophobicContact CB-CZ3 4.46Å; W277-A291 WeakPolarHBondContact O-CA 3.41Å; W277-A291 VanDerWaalsContact O-CB 3.24Å; W277-A291 WeakPolarHBondContact O-CB 3.17Å; W277-G292 PolarHBondContact N-O 3.3Å; W277-G292 PolarHBondContact O-N 3.12Å; W277-F294 HydrophobicContact CH2-CB 3.95Å; W277-F294 HydrophobicContact CZ3-CB 3.68Å
278C98.9Very high98.7Very high3 Ų325.2 Ų25.22%0.0216%0.157CC..  trans-91.3162.5166.3670000110.8L142 Y280 K281L142-C278 HydrophobicContact CB-CB 4.05Å; L142-C278 HydrophobicContact CD2-CB 3.96Å; C278-Y280 HydrophobicContact CB-CD1 3.83Å; C278-Y280 HydrophobicContact CB-CE1 3.48Å; C278-Y280 VanDerWaalsContact CB-CE1 3.48Å; C278-K281 VanDerWaalsContact SG-CD 3.53Å
279S98.8Very high98.7Very high0 Ų023.7 Ų23.70%015%0.152CC..SBendtrans-109.5-8.1-179.6500000114.6L283 N284 S285 G289 L290S279-L283 CarbonylContact O-C 3.53Å; S279-L283 WeakPolarHBondContact O-CA 3.28Å; S279-L283 WeakPolarHBondContact O-CB 3.09Å; S279-N284 PolarHBondContact O-N 3.2Å; S279-N284 VanDerWaalsContact O-N 3.16Å; S279-S285 VanDerWaalsContact CB-OG 3.26Å; S279-S285 WeakPolarHBondContact CB-OG 3.47Å; S279-S285 WeakPolarHBondContact O-CB 3.43Å; S279-S285 PolarHBondContact O-N 3.13Å; S279-S285 PolarHBondContact O-OG 2.85Å; S279-S285 PolarHBondContact OG-OG 3.43Å; S279-G289 VanDerWaalsContact OG-C 3.25Å; S279-G289 PolarHBondContact OG-O 3.35Å; S279-L290 WeakPolarHBondContact CB-O 3.49Å; S279-L290 PolarHBondContact OG-N 2.96Å; S279-L290 PolarHBondContact OG-O 2.97Å
280Y98.8Very high98.6Very high65 Ų6518.3 Ų18.326%0.25512%0.123SC..SBendtrans-87.5-6.9-17362.4-104000114.7S80 L81 G82 C278 S285 G286S80-Y280 WeakPolarHBondContact O-CD2 3.2Å; L81-Y280 WeakPolarHBondContact CA-O 3.44Å; G82-Y280 PolarHBondContact N-O 2.56Å; C278-Y280 HydrophobicContact CB-CD1 3.83Å; C278-Y280 HydrophobicContact CB-CE1 3.48Å; C278-Y280 VanDerWaalsContact CB-CE1 3.48Å; Y280-S285 PolarHBondContact N-OG 2.95Å; Y280-G286 WeakPolarHBondContact CB-O 3.32Å
281K98.8Very high98.6Very high13 Ų1316 Ų166%0.05711%0.114CC..SBendtrans-85.1-118.5175.8-65.1177.1-179.51760109.5G78 N79 G82 A257 H258 C278 L283 N284G78-K281 CarbonylContact O-C 3.46Å; N79-K281 VanDerWaalsContact O-CD 3.29Å; N79-K281 WeakPolarHBondContact O-CD 3.23Å; N79-K281 WeakPolarHBondContact O-CG 3.21Å; G82-K281 VanDerWaalsContact CA-O 3.26Å; G82-K281 WeakPolarHBondContact CA-O 3.34Å; G82-K281 PolarHBondContact N-O 2.66Å; A257-K281 HydrophobicContact CB-CD 4.47Å; A257-K281 WeakPolarHBondContact O-CD 3.34Å; H258-K281 PolarHBondContact CD2-NZ 3.36Å; H258-K281 VanDerWaalsContact CD2-NZ 3.29Å; H258-K281 PolarHBondContact NE2-NZ 3.32Å; C278-K281 VanDerWaalsContact SG-CD 3.53Å; K281-L283 PolarHBondContact O-N 2.82Å; K281-L283 VanDerWaalsContact O-N 3.08Å; K281-N284 PolarHBondContact O-N 3.22Å
282Y98.9Very high98.6Very high7 Ų713.1 Ų13.13%0.02710%0.098CC..THydrogen-bonded Turntrans-60-23179.7-61.1-77.5000114.1G78 N79 H258 V260 N262 N284 F354 C406 V443G78-Y282 PolarHBondContact O-N 3.02Å; N79-Y282 HydrophobicContact CB-CE1 3.95Å; N79-Y282 HydrophobicContact CB-CE2 3.98Å; N79-Y282 VanDerWaalsContact CB-CZ 3.44Å; N79-Y282 WeakPolarHBondContact CB-OH 3.24Å; H258-Y282 WeakPolarHBondContact O-CE2 3.37Å; V260-Y282 WeakPolarHBondContact O-CB 3.46Å; N262-Y282 HydrophobicContact CB-CD1 3.97Å; N262-Y282 HydrophobicContact CB-CD2 3.61Å; N262-Y282 HydrophobicContact CB-CE1 4.01Å; N262-Y282 HydrophobicContact CB-CE2 3.65Å; N262-Y282 HydrophobicContact CB-CG 3.76Å; N262-Y282 PolarHBondContact ND2-OH 2.79Å; Y282-N284 VanDerWaalsContact C-N 3.3Å; Y282-N284 PolarHBondContact O-ND2 3.36Å; Y282-F354 VanDerWaalsContact O-CZ 3.3Å; Y282-F354 WeakPolarHBondContact O-CZ 3.37Å; Y282-C406 HydrophobicContact CE1-CB 4.01Å; Y282-V443 HydrophobicContact CD1-CG1 3.77Å; Y282-V443 HydrophobicContact CE1-CG1 3.66Å
283L98.9Very high98.6Very high1 Ų113.1 Ų13.11%0.00510%0.098CC..THydrogen-bonded Turntrans-82.82.1175.9-71.9-178.8000113.9M125 I128 V260 S279 K281 S285 S350 L351 F354M125-L283 HydrophobicContact CE-CD1 3.94Å; M125-L283 HydrophobicContact CE-CD2 4.32Å; M125-L283 HydrophobicContact SD-CD1 3.86Å; I128-L283 HydrophobicContact CD1-CD2 4.08Å; I128-L283 HydrophobicContact CG2-CD2 4.45Å; V260-L283 HydrophobicContact CB-CD1 4.42Å; V260-L283 HydrophobicContact CG1-CD1 3.8Å; V260-L283 HydrophobicContact CG1-CG 4.05Å; V260-L283 HydrophobicContact CG2-CD1 3.7Å; V260-L283 HydrophobicContact CG2-CD2 4.28Å; V260-L283 HydrophobicContact CG2-CG 4.13Å; S279-L283 CarbonylContact O-C 3.53Å; S279-L283 WeakPolarHBondContact O-CA 3.28Å; S279-L283 WeakPolarHBondContact O-CB 3.09Å; K281-L283 PolarHBondContact O-N 2.82Å; K281-L283 VanDerWaalsContact O-N 3.08Å; L283-S285 VanDerWaalsContact C-N 3.29Å; L283-S285 PolarHBondContact O-N 2.8Å; L283-S350 WeakPolarHBondContact O-CB 3.47Å; L283-S350 PolarHBondContact O-OG 3.46Å; L283-L351 HydrophobicContact CD2-CD2 4.46Å; L283-F354 HydrophobicContact CD2-CD2 4.37Å; L283-F354 HydrophobicContact CD2-CE2 3.84Å; L283-F354 HydrophobicContact CD2-CZ 3.93Å
284N98.8Very high98.6Very high1 Ų112.9 Ų12.91%0.00510%0.097CC..  trans54.229.6163.9-48.4-52.7000117.1F51 G82 L83 P85 S279 K281 Y282 G286 L445F51-N284 HydrophobicContact CE1-CB 3.99Å; G82-N284 WeakPolarHBondContact CA-OD1 3.4Å; L83-N284 WeakPolarHBondContact O-CB 3.2Å; P85-N284 WeakPolarHBondContact CD-O 3.16Å; P85-N284 HydrophobicContact CG-CB 4.14Å; S279-N284 PolarHBondContact O-N 3.2Å; S279-N284 VanDerWaalsContact O-N 3.16Å; K281-N284 PolarHBondContact O-N 3.22Å; Y282-N284 VanDerWaalsContact C-N 3.3Å; Y282-N284 PolarHBondContact O-ND2 3.36Å; N284-G286 VanDerWaalsContact C-N 3.35Å; N284-G286 PolarHBondContact O-N 2.88Å; N284-L445 WeakPolarHBondContact ND2-CD1 3.1Å
285S98.6Very high98.6Very high4 Ų413 Ų133%0.02810%0.098CC..  trans-87.65.5-174.475.50000115.4S279 Y280 L283 P346S279-S285 VanDerWaalsContact CB-OG 3.26Å; S279-S285 WeakPolarHBondContact CB-OG 3.47Å; S279-S285 WeakPolarHBondContact O-CB 3.43Å; S279-S285 PolarHBondContact O-N 3.13Å; S279-S285 PolarHBondContact O-OG 2.85Å; S279-S285 PolarHBondContact OG-OG 3.43Å; Y280-S285 PolarHBondContact N-OG 2.95Å; L283-S285 VanDerWaalsContact C-N 3.29Å; L283-S285 PolarHBondContact O-N 2.8Å; S285-P346 WeakPolarHBondContact O-CB 3.45Å; S285-P346 WeakPolarHBondContact O-CG 3.46Å
286G98.4Very high98.6Very high33 Ų3313.6 Ų13.634%0.3410%0.101SC..  trans78.7154.7-171.700000114Y280 N284 G288 G289Y280-G286 WeakPolarHBondContact CB-O 3.32Å; N284-G286 VanDerWaalsContact C-N 3.35Å; N284-G286 PolarHBondContact O-N 2.88Å; G286-G288 PolarHBondContact O-N 2.84Å; G286-G289 PolarHBondContact O-N 3.35Å
287A98.4Very high98.6Very high84 Ų8417.9 Ų17.969%0.69412%0.121SC*.THydrogen-bonded Turntrans-54.3129.4-169.900000113.1L81 G289L81-A287 HydrophobicContact CD1-CB 4.15Å; A287-G289 VanDerWaalsContact C-N 3.25Å; A287-G289 PolarHBondContact O-N 2.91Å
288G97.2Very high98.5Very high55 Ų5521.4 Ų21.457%0.56714%0.136SC*.THydrogen-bonded Turntrans70.218.6-179.500000114.6G286G286-G288 PolarHBondContact O-N 2.84Å
289G97.7Very high98.5Very high4 Ų422.1 Ų22.14%0.04114%0.139CC..PPolyproline II helixtrans-57.8165.1178.600000114.8S279 G286 A287 A291S279-G289 VanDerWaalsContact OG-C 3.25Å; S279-G289 PolarHBondContact OG-O 3.35Å; G286-G289 PolarHBondContact O-N 3.35Å; A287-G289 VanDerWaalsContact C-N 3.25Å; A287-G289 PolarHBondContact O-N 2.91Å; G289-A291 PolarHBondContact O-N 3.3Å
290L96.9Very high98.3Very high1 Ų126.4 Ų26.41%0.00516%0.158CC..PPolyproline II helixtrans-56.9120.2-176.4-171.266.2000111.4I121 L138 S279 P340 L343 V344 L347I121-L290 HydrophobicContact CD1-CD2 4.21Å; L138-L290 HydrophobicContact CB-CD2 3.92Å; L138-L290 HydrophobicContact CB-CG 4.37Å; S279-L290 WeakPolarHBondContact CB-O 3.49Å; S279-L290 PolarHBondContact OG-N 2.96Å; S279-L290 PolarHBondContact OG-O 2.97Å; L290-P340 HydrophobicContact CD1-CG 4.02Å; L290-L343 HydrophobicContact CB-CB 3.94Å; L290-V344 HydrophobicContact CD2-CG2 4Å; L290-L347 HydrophobicContact CB-CD2 4.33Å
291A98.7Very high97.9Very high0 Ų028.7 Ų28.70%017%0.174CC..PPolyproline II helixtrans-77.6172.2-178.600000112.7L138 M139 N140 L142 W277 G289L138-A291 CarbonylContact C-O 3.51Å; L138-A291 WeakPolarHBondContact CA-O 3.25Å; M139-A291 PolarHBondContact N-O 2.96Å; M139-A291 CarbonylContact O-C 3.54Å; N140-A291 PolarHBondContact O-N 2.8Å; L142-A291 HydrophobicContact CB-CB 4.44Å; L142-A291 VanDerWaalsContact N-CB 3.27Å; W277-A291 WeakPolarHBondContact O-CA 3.41Å; W277-A291 VanDerWaalsContact O-CB 3.24Å; W277-A291 WeakPolarHBondContact O-CB 3.17Å; G289-A291 PolarHBondContact O-N 3.3Å
292G98.8Very high97.8Very high0 Ų032.7 Ų32.70%020%0.2CC..EExtended strand (participates in β ladder)trans-121.4156.2173.800000112.8A137 N145 C276 W277A137-G292 CarbonylContact O-C 3.5Å; A137-G292 WeakPolarHBondContact O-CA 3.34Å; N145-G292 PolarHBondContact ND2-O 2.86Å; C276-G292 WeakPolarHBondContact CA-O 3.45Å; W277-G292 PolarHBondContact N-O 3.3Å; W277-G292 PolarHBondContact O-N 3.12Å
293A98.9Very high97.8Very high0 Ų032.8 Ų32.80%020%0.201CC..EExtended strand (participates in β ladder)trans-136.1146.8172.400000109.3V136 A137 M139 N145 L149 A275 V331V136-A293 WeakPolarHBondContact CA-O 3.49Å; A137-A293 PolarHBondContact N-O 3.29Å; A137-A293 PolarHBondContact O-N 2.8Å; M139-A293 HydrophobicContact CE-CB 3.65Å; N145-A293 HydrophobicContact CB-CB 4.3Å; L149-A293 HydrophobicContact CD1-CB 4.25Å; A275-A293 CarbonylContact O-C 3.18Å; A275-A293 WeakPolarHBondContact O-CA 3.29Å; A293-V331 HydrophobicContact CB-CG2 3.9Å
294F98.9Very high97.7Very high0 Ų037.1 Ų37.10%022%0.219CC..EExtended strand (participates in β ladder)trans-125.7138.7174.1165.5-94.3000109.9A131 E135 V136 L267 V272 F274 A275 W277 H296A131-F294 HydrophobicContact CB-CD2 3.62Å; A131-F294 HydrophobicContact CB-CE2 3.52Å; E135-F294 HydrophobicContact CB-CD2 3.71Å; E135-F294 HydrophobicContact CB-CE2 3.52Å; E135-F294 HydrophobicContact CG-CE2 4.22Å; E135-F294 CarbonylContact O-C 3.52Å; E135-F294 WeakPolarHBondContact O-CA 3.41Å; E135-F294 VanDerWaalsContact O-CD2 3.28Å; E135-F294 WeakPolarHBondContact O-CD2 3.28Å; V136-F294 HydrophobicContact CG2-CD2 4.41Å; L267-F294 HydrophobicContact CB-CD1 4.03Å; L267-F294 HydrophobicContact CB-CD2 4.25Å; L267-F294 HydrophobicContact CB-CE1 3.76Å; L267-F294 HydrophobicContact CB-CE2 3.97Å; L267-F294 HydrophobicContact CB-CG 4.28Å; L267-F294 HydrophobicContact CB-CZ 3.72Å; L267-F294 HydrophobicContact CD1-CB 3.93Å; L267-F294 HydrophobicContact CD1-CD1 3.9Å; L267-F294 HydrophobicContact CD1-CD2 4.21Å; L267-F294 HydrophobicContact CD1-CE1 4.47Å; L267-F294 HydrophobicContact CD1-CG 3.75Å; V272-F294 HydrophobicContact CB-CE1 4.2Å; V272-F294 HydrophobicContact CG1-CE1 4.33Å; V272-F294 WeakPolarHBondContact O-CE1 3.43Å; F274-F294 CarbonylContact C-O 3.4Å; F274-F294 WeakPolarHBondContact CA-O 3.37Å; F274-F294 WeakPolarHBondContact CB-O 3.37Å; A275-F294 HydrophobicContact CB-CB 4.2Å; A275-F294 HydrophobicContact CB-CD1 4.26Å; A275-F294 PolarHBondContact N-O 3.36Å; A275-F294 PolarHBondContact O-N 2.76Å; W277-F294 HydrophobicContact CH2-CB 3.95Å; W277-F294 HydrophobicContact CZ3-CB 3.68Å; F294-H296 HydrophobicContact CE1-CB 4.13Å; F294-H296 HydrophobicContact CZ-CB 3.95Å
295I98.9Very high97.7Very high2 Ų237.8 Ų37.81%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-136126.2165.9-61.1179.4000107.7E135 L149 F153 F274 H299 V331 F334E135-I295 WeakPolarHBondContact CB-O 3.38Å; E135-I295 PolarHBondContact O-N 2.8Å; L149-I295 HydrophobicContact CD2-CD1 3.63Å; L149-I295 HydrophobicContact CD2-CG1 3.59Å; F153-I295 HydrophobicContact CE2-CD1 4.16Å; F153-I295 HydrophobicContact CE2-CG1 4.2Å; F153-I295 HydrophobicContact CE2-CG2 4.4Å; F153-I295 HydrophobicContact CZ-CG2 3.99Å; F274-I295 HydrophobicContact CB-CG1 4.44Å; I295-H299 HydrophobicContact CG2-CB 3.76Å; I295-V331 HydrophobicContact CB-CB 3.95Å; I295-V331 HydrophobicContact CB-CG2 4.49Å; I295-V331 HydrophobicContact CD1-CB 4.05Å; I295-V331 HydrophobicContact CD1-CG2 4.1Å; I295-V331 HydrophobicContact CG1-CB 3.9Å; I295-V331 HydrophobicContact CG1-CG2 3.94Å; I295-F334 HydrophobicContact CD1-CD1 4.27Å; I295-F334 HydrophobicContact CD1-CD2 3.66Å; I295-F334 HydrophobicContact CD1-CE1 4.02Å; I295-F334 HydrophobicContact CD1-CE2 3.4Å; I295-F334 VanDerWaalsContact CD1-CE2 3.4Å; I295-F334 HydrophobicContact CD1-CG 4.11Å; I295-F334 HydrophobicContact CD1-CZ 3.6Å
296H98.9Very high97.7Very high13 Ų1340.3 Ų40.36%0.0625%0.245CC..  trans-61.3142.2179-164-83.2000112E135 H268 D271 V272 D273 F294 K298 H299E135-H296 IonicContact OE1-CD2 3.04Å; E135-H296 IonicContact OE1-CG 2.89Å; H268-H296 AromaticContact CE1-CE1 3.87Å; H268-H296 AromaticContact CE1-NE2 3.68Å; H268-H296 AromaticContact CG-NE2 3.99Å; H268-H296 AromaticContact ND1-CD2 3.94Å; H268-H296 AromaticContact ND1-CE1 3.94Å; H268-H296 AromaticContact ND1-NE2 3.42Å; H268-H296 PolarHBondContact ND1-NE2 3.19Å; H268-H296 PolarHBondContact O-NE2 2.81Å; H268-H296 VanDerWaalsContact O-NE2 3.12Å; D271-H296 IonicContact OD1-CD2 2.68Å; D271-H296 IonicContact OD1-CE1 2.82Å; D271-H296 PolarHBondContact OD1-CE1 2.66Å; D271-H296 IonicContact OD1-ND1 3.95Å; D271-H296 IonicContact OD1-NE2 2.74Å; V272-H296 VanDerWaalsContact O-CB 3.24Å; V272-H296 WeakPolarHBondContact O-CB 3.35Å; D273-H296 PolarHBondContact O-N 3.03Å; F294-H296 HydrophobicContact CE1-CB 4.13Å; F294-H296 HydrophobicContact CZ-CB 3.95Å; H296-K298 HydrophobicContact CB-CG 4.14Å; H296-K298 WeakPolarHBondContact ND1-CB 3.32Å; H296-K298 VanDerWaalsContact ND1-CG 3.28Å; H296-K298 WeakPolarHBondContact ND1-CG 3.21Å; H296-K298 PolarHBondContact ND1-N 3.34Å; H296-K298 PolarHBondContact O-N 3.15Å; H296-H299 WeakPolarHBondContact O-CB 3.19Å; H296-H299 PolarHBondContact O-N 2.69Å
297E98.5Very high97.7Very high89 Ų8943 Ų4342%0.41625%0.251SS..G310 helixtrans-61.3-22-175.669.9178.1-179.800113.1K132 E135 H268 H299 K300K132-E297 WeakPolarHBondContact CD-OE2 3.38Å; K132-E297 IonicContact NZ-OE1 3.88Å; K132-E297 PolarHBondContact NZ-OE1 2.86Å; K132-E297 IonicContact NZ-OE2 3.51Å; K132-E297 PolarHBondContact NZ-OE2 3.04Å; E135-E297 HydrophobicContact CG-CB 4.06Å; E135-E297 WeakPolarHBondContact OE1-CB 3.49Å; E135-E297 PolarHBondContact OE1-N 2.95Å; H268-E297 IonicContact CE1-OE1 3.82Å; H268-E297 PolarHBondContact CE1-OE1 3.47Å; H268-E297 VanDerWaalsContact CE1-OE1 3.3Å; H268-E297 IonicContact NE2-OE1 2.72Å; E297-H299 PolarHBondContact O-N 3.11Å; E297-H299 VanDerWaalsContact O-N 3.14Å; E297-K300 WeakPolarHBondContact O-CB 3.41Å; E297-K300 PolarHBondContact O-N 3.36Å; E297-K300 VanDerWaalsContact O-N 3.07Å
298K98.4Very high97.7Very high75 Ų7543.9 Ų43.933%0.32624%0.244SC..G310 helixtrans-59-23.7172.975.8-175.2161.41770113H246 D271 D273 H296H246-K298 PolarHBondContact CE1-NZ 2.93Å; H246-K298 VanDerWaalsContact CE1-NZ 3.26Å; D271-K298 PolarHBondContact O-NZ 3.38Å; D271-K298 VanDerWaalsContact OD1-CD 3.26Å; D271-K298 WeakPolarHBondContact OD1-CD 3.32Å; D271-K298 WeakPolarHBondContact OD1-CE 3.45Å; D271-K298 IonicContact OD1-NZ 3.93Å; D271-K298 PolarHBondContact OD1-NZ 3.07Å; D271-K298 IonicContact OD2-NZ 2.69Å; D271-K298 PolarHBondContact OD2-NZ 2.9Å; D273-K298 WeakPolarHBondContact OD1-CE 3.49Å; D273-K298 IonicContact OD1-NZ 3.94Å; D273-K298 PolarHBondContact OD1-NZ 3.03Å; H296-K298 HydrophobicContact CB-CG 4.14Å; H296-K298 WeakPolarHBondContact ND1-CB 3.32Å; H296-K298 VanDerWaalsContact ND1-CG 3.28Å; H296-K298 WeakPolarHBondContact ND1-CG 3.21Å; H296-K298 PolarHBondContact ND1-N 3.34Å; H296-K298 PolarHBondContact O-N 3.15Å
299H98.6Very high97.7Very high17 Ų1742 Ų428%0.07922%0.224CC..G310 helixtrans-98-2.6-179.8-66.1-44.8000113.8F153 F251 D273 I295 H296 E297 D301 T302 I303F153-H299 AromaticContact CE1-CD2 3.66Å; F153-H299 AromaticContact CE1-NE2 3.9Å; F153-H299 HydrophobicContact CZ-CB 4.4Å; F153-H299 AromaticContact CZ-CD2 3.85Å; F251-H299 AromaticContact CE1-CE1 3.73Å; D273-H299 IonicContact OD1-CD2 3.14Å; D273-H299 IonicContact OD1-CE1 3.6Å; D273-H299 IonicContact OD1-NE2 3.61Å; D273-H299 PolarHBondContact OD1-NE2 2.9Å; I295-H299 HydrophobicContact CG2-CB 3.76Å; H296-H299 WeakPolarHBondContact O-CB 3.19Å; H296-H299 PolarHBondContact O-N 2.69Å; E297-H299 PolarHBondContact O-N 3.11Å; E297-H299 VanDerWaalsContact O-N 3.14Å; H299-D301 PolarHBondContact O-N 3.29Å; H299-T302 PolarHBondContact O-N 2.83Å; H299-I303 HydrophobicContact CB-CB 4.01Å; H299-I303 HydrophobicContact CB-CG1 3.71Å; H299-I303 PolarHBondContact O-N 3.41Å
300K94.9Very high97.7Very high90 Ų9047 Ų4739%0.39124%0.242SC..THydrogen-bonded Turntrans-46.8-41.3-174.9-177-173177.3-177.20113.6E297 K304 P329 G330E297-K300 WeakPolarHBondContact O-CB 3.41Å; E297-K300 PolarHBondContact O-N 3.36Å; E297-K300 VanDerWaalsContact O-N 3.07Å; K300-K304 PolarHBondContact O-NZ 3.37Å; K300-K304 VanDerWaalsContact O-NZ 3.07Å; K300-P329 HydrophobicContact CD-CB 3.93Å; K300-P329 HydrophobicContact CG-CB 3.46Å; K300-P329 VanDerWaalsContact CG-CB 3.46Å; K300-G330 PolarHBondContact O-N 3.42Å
301D90.6Very high97.7Very high114 Ų11447.2 Ų47.261%0.6124%0.243SC*.THydrogen-bonded Turntrans-105.2-19.1-174.5-63.1-43.4000114.2H299 K304H299-D301 PolarHBondContact O-N 3.29Å; D301-K304 WeakPolarHBondContact O-CE 3.39Å; D301-K304 PolarHBondContact O-NZ 2.93Å
302T95.5Very high97.6Very high96 Ų9647.3 Ų47.359%0.58924%0.243SC*.THydrogen-bonded Turntrans-103.9-28.7-171.354.10000113.7H299H299-T302 PolarHBondContact O-N 2.83Å
303I98.3Very high97.6Very high10 Ų1048 Ų485%0.05125%0.247CC..  trans-105.9116.3176-54.1-61.2000108.6F153 F251 H299 F334F153-I303 HydrophobicContact CD1-CG1 4.44Å; F153-I303 HydrophobicContact CD1-CG2 4.47Å; F153-I303 HydrophobicContact CD2-CG2 4.15Å; F153-I303 HydrophobicContact CE1-CD1 4.45Å; F153-I303 HydrophobicContact CE1-CG1 3.9Å; F153-I303 HydrophobicContact CE1-CG2 4.2Å; F153-I303 HydrophobicContact CE2-CG2 3.85Å; F153-I303 HydrophobicContact CG-CG2 4.45Å; F153-I303 HydrophobicContact CZ-CB 4.3Å; F153-I303 HydrophobicContact CZ-CG1 4.16Å; F153-I303 HydrophobicContact CZ-CG2 3.88Å; F251-I303 HydrophobicContact CE1-CD1 4.45Å; F251-I303 HydrophobicContact CZ-CD1 4.02Å; H299-I303 HydrophobicContact CB-CB 4.01Å; H299-I303 HydrophobicContact CB-CG1 3.71Å; H299-I303 PolarHBondContact O-N 3.41Å; I303-F334 HydrophobicContact CG2-CZ 4.22Å
304K98.1Very high97.4Very high91 Ų9150.8 Ų50.840%0.39626%0.262SS..  trans-112.7148.2-178.5-60-54.8-174.4-171.40110.3S152 K300 D301 A306 L327S152-K304 WeakPolarHBondContact CB-O 3.48Å; S152-K304 PolarHBondContact OG-O 2.9Å; K300-K304 PolarHBondContact O-NZ 3.37Å; K300-K304 VanDerWaalsContact O-NZ 3.07Å; D301-K304 WeakPolarHBondContact O-CE 3.39Å; D301-K304 PolarHBondContact O-NZ 2.93Å; K304-A306 PolarHBondContact O-N 3.44Å; K304-L327 HydrophobicContact CD-CD2 3.97Å
305P98.4Very high97.1Very high15 Ų1553.7 Ų53.710%0.09728%0.277CS..  trans-62.6134.7178.728.9-37.7000110.9L307 L308 L327 G333 F334P305-L307 VanDerWaalsContact C-N 3.32Å; P305-L308 HydrophobicContact CG-CD2 3.64Å; P305-L327 HydrophobicContact CG-CD1 4.08Å; P305-L327 HydrophobicContact CG-CD2 4.05Å; P305-G333 WeakPolarHBondContact CG-O 3.28Å; P305-F334 HydrophobicContact CB-CD1 3.99Å; P305-F334 HydrophobicContact CB-CD2 3.93Å; P305-F334 HydrophobicContact CB-CE1 4.13Å; P305-F334 HydrophobicContact CB-CE2 4.05Å; P305-F334 HydrophobicContact CB-CG 3.88Å; P305-F334 HydrophobicContact CB-CZ 4.14Å; P305-F334 HydrophobicContact CG-CD2 4.38Å; P305-F334 HydrophobicContact CG-CE2 4.46Å
306A98.3Very high96.8Very high57 Ų5757.6 Ų57.647%0.47131%0.309SS..SBendtrans-71.4-28.3173.300000113L151 S152 K304L151-A306 HydrophobicContact CB-CB 3.67Å; L151-A306 HydrophobicContact CD1-CB 4.47Å; S152-A306 PolarHBondContact OG-N 3.2Å; S152-A306 VanDerWaalsContact OG-N 3.14Å; K304-A306 PolarHBondContact O-N 3.44Å
307L98.6Very high96.7Very high90 Ų9057.5 Ų57.547%0.47131%0.31SS..SBendtrans-117.7128.4178.1-57.3-179.5000108.7L148 L151 P305 L336L148-L307 HydrophobicContact CD2-CB 4.48Å; L148-L307 HydrophobicContact CD2-CD1 3.89Å; L151-L307 HydrophobicContact CD1-CD1 3.79Å; L151-L307 HydrophobicContact CD1-CG 3.96Å; P305-L307 VanDerWaalsContact C-N 3.32Å; L307-L336 HydrophobicContact CB-CD2 4.14Å; L307-L336 WeakPolarHBondContact O-CD2 3.27Å
308L98.3Very high96.5Very high102 Ų10253.6 Ų53.653%0.53429%0.291SS..  trans-104.4144.4-179.2-67175000110.8P305 M325 L327P305-L308 HydrophobicContact CG-CD2 3.64Å; L308-M325 HydrophobicContact CB-CE 4.18Å; L308-M325 HydrophobicContact CD2-CE 4.43Å; L308-L327 HydrophobicContact CD2-CD1 3.81Å
309G97.9Very high96.4Very high16 Ų1654.8 Ų54.817%0.16530%0.296CS..  trans-144161.6166.400000110.3W311 G312 L336G309-W311 PolarHBondContact O-N 3.06Å; G309-W311 VanDerWaalsContact O-N 3.12Å; G309-G312 PolarHBondContact O-N 3.09Å; G309-L336 CarbonylContact C-O 3.41Å; G309-L336 VanDerWaalsContact CA-O 3.29Å; G309-L336 WeakPolarHBondContact CA-O 3.44Å
310W97.5Very high96.3Very high109 Ų10962.1 Ų62.141%0.41332%0.324SS..G310 helixtrans-65.8-17.8-171.776.9-52000114G312 H313 R318 F319 M321 L336W310-G312 PolarHBondContact O-N 3.48Å; W310-H313 WeakPolarHBondContact O-CB 3.48Å; W310-H313 PolarHBondContact O-N 2.84Å; W310-H313 VanDerWaalsContact O-N 3.15Å; W310-R318 HydrophobicContact CD2-CG 4.5Å; W310-R318 HydrophobicContact CE3-CG 3.75Å; W310-R318 HydrophobicContact CZ3-CG 4.24Å; W310-R318 WeakPolarHBondContact O-CD 3.41Å; W310-R318 WeakPolarHBondContact O-CG 3.45Å; W310-R318 PolarHBondContact O-NE 3.26Å; W310-R318 VanDerWaalsContact O-NE 3.09Å; W310-F319 HydrophobicContact CH2-CD1 4.47Å; W310-F319 HydrophobicContact CH2-CE1 4.03Å; W310-F319 HydrophobicContact CZ3-CD1 4.08Å; W310-F319 AromaticContact CZ3-CE1 3.98Å; W310-F319 HydrophobicContact CZ3-CE1 3.98Å; W310-M321 HydrophobicContact CH2-CE 4.41Å; W310-M321 HydrophobicContact CZ3-CE 3.98Å; W310-L336 PolarHBondContact N-O 2.89Å
311W97Very high96.4Very high6 Ų663.8 Ų63.82%0.02333%0.334CS..G310 helixtrans-75.4-9.3172.5-112.6-92.9000114.4G309 H313 R318 R335 L336 S337 N338G309-W311 PolarHBondContact O-N 3.06Å; G309-W311 VanDerWaalsContact O-N 3.12Å; W311-H313 VanDerWaalsContact C-N 3.34Å; W311-R318 PolarHBondContact O-NH2 3.3Å; W311-R335 CarbonylContact C-O 3.58Å; W311-R335 HydrophobicContact CB-CB 4.16Å; W311-R335 VanDerWaalsContact CD1-CZ 3.46Å; W311-L336 PolarHBondContact N-O 2.98Å; W311-S337 VanDerWaalsContact CB-O 3.29Å; W311-S337 WeakPolarHBondContact CB-O 3.28Å; W311-S337 VanDerWaalsContact CG-C 3.46Å; W311-S337 VanDerWaalsContact CG-O 3.23Å; W311-N338 HydrophobicContact CD2-CB 3.92Å; W311-N338 VanDerWaalsContact CD2-N 3.26Å; W311-N338 VanDerWaalsContact CE2-CA 3.41Å; W311-N338 VanDerWaalsContact CE3-CA 3.47Å; W311-N338 HydrophobicContact CE3-CB 3.76Å; W311-N338 HydrophobicContact CH2-CB 3.41Å; W311-N338 VanDerWaalsContact CH2-CB 3.41Å; W311-N338 HydrophobicContact CZ2-CB 3.49Å; W311-N338 VanDerWaalsContact CZ2-CB 3.49Å; W311-N338 HydrophobicContact CZ3-CB 3.41Å; W311-N338 VanDerWaalsContact CZ3-CB 3.41Å
312G96.9Very high96.7Very high1 Ų162 Ų621%0.0133%0.328CS..G310 helixtrans-85.7-8.7167.900000112.6G309 W310 Q328 R335G309-G312 PolarHBondContact O-N 3.09Å; W310-G312 PolarHBondContact O-N 3.48Å; G312-Q328 WeakPolarHBondContact O-CB 3.37Å; G312-Q328 WeakPolarHBondContact O-CG 3.27Å; G312-Q328 PolarHBondContact O-N 3.43Å; G312-R335 WeakPolarHBondContact CA-O 3.04Å; G312-R335 PolarHBondContact N-O 2.89Å
313H97.8Very high96.8Very high16 Ų1665.3 Ų65.37%0.07434%0.342CS..BIsolated β-bridgetrans-76148.1176.1-169.8104.1000111W310 W311 L315 T317 R318 V324 M325 E326 Q328W310-H313 WeakPolarHBondContact O-CB 3.48Å; W310-H313 PolarHBondContact O-N 2.84Å; W310-H313 VanDerWaalsContact O-N 3.15Å; W311-H313 VanDerWaalsContact C-N 3.34Å; H313-L315 PolarHBondContact O-N 2.92Å; H313-T317 PolarHBondContact CD2-OG1 3.25Å; H313-T317 PolarHBondContact NE2-OG1 3.49Å; H313-R318 HydrophobicContact CB-CB 4.49Å; H313-R318 HydrophobicContact CB-CG 4.37Å; H313-R318 WeakPolarHBondContact CD2-CA 3.4Å; H313-R318 PolarHBondContact CD2-N 2.91Å; H313-R318 PolarHBondContact O-NE 3.07Å; H313-R318 PolarHBondContact O-NH2 3.35Å; H313-V324 PolarHBondContact CE1-O 3.09Å; H313-M325 HydrophobicContact CB-SD 3.81Å; H313-E326 CarbonylContact C-O 3.01Å; H313-E326 WeakPolarHBondContact CA-O 3.38Å; H313-E326 PolarHBondContact CE1-N 2.72Å; H313-E326 PolarHBondContact ND1-N 3.19Å; H313-Q328 PolarHBondContact O-NE2 3.12Å
314D95.4Very high96.7Very high58 Ų5869.4 Ų69.431%0.3137%0.367SS..  trans-44131.2178.1-178.3-89000113.6A316 T317 R318 E326D314-A316 VanDerWaalsContact C-N 3.27Å; D314-A316 PolarHBondContact O-N 2.98Å; D314-A316 WeakPolarHBondContact OD1-CA 3.45Å; D314-A316 VanDerWaalsContact OD1-CB 3.29Å; D314-A316 WeakPolarHBondContact OD1-CB 3.43Å; D314-A316 PolarHBondContact OD1-N 3.06Å; D314-T317 PolarHBondContact O-N 3.49Å; D314-T317 PolarHBondContact OD1-N 3.09Å; D314-R318 VanDerWaalsContact O-CB 3.29Å; D314-R318 WeakPolarHBondContact O-CB 3.49Å; D314-R318 PolarHBondContact O-N 3.37Å; D314-E326 HydrophobicContact CB-CB 4.03Å; D314-E326 PolarHBondContact N-O 3.04Å
315L91.9Very high96.7Very high60 Ų6068.6 Ų68.631%0.31437%0.365SS..THydrogen-bonded Turntrans-60.8-35.4-174.3-71.9173.6000113.1E118 H313 R318E118-L315 WeakPolarHBondContact OE1-CD2 3.23Å; H313-L315 PolarHBondContact O-N 2.92Å; L315-R318 VanDerWaalsContact CD2-NH2 3.34Å
316A93Very high96.7Very high84 Ų8471.8 Ų71.869%0.69438%0.379SS*.THydrogen-bonded Turntrans-76.6-24.6-17500000112.5D314D314-A316 VanDerWaalsContact C-N 3.27Å; D314-A316 PolarHBondContact O-N 2.98Å; D314-A316 WeakPolarHBondContact OD1-CA 3.45Å; D314-A316 VanDerWaalsContact OD1-CB 3.29Å; D314-A316 WeakPolarHBondContact OD1-CB 3.43Å; D314-A316 PolarHBondContact OD1-N 3.06Å
317T95.9Very high96.7Very high11 Ų1171.6 Ų71.67%0.06737%0.37CS..THydrogen-bonded Turntrans-116.3-8.5-174.668.30000114.3H313 D314 F319 R320 E326H313-T317 PolarHBondContact CD2-OG1 3.25Å; H313-T317 PolarHBondContact NE2-OG1 3.49Å; D314-T317 PolarHBondContact O-N 3.49Å; D314-T317 PolarHBondContact OD1-N 3.09Å; T317-F319 VanDerWaalsContact C-N 3.28Å; T317-F319 PolarHBondContact O-N 3.22Å; T317-F319 VanDerWaalsContact O-N 3.12Å; T317-R320 VanDerWaalsContact O-CB 3.24Å; T317-R320 WeakPolarHBondContact O-CB 3.22Å; T317-R320 WeakPolarHBondContact O-CG 3.45Å; T317-R320 PolarHBondContact O-N 2.75Å; T317-E326 WeakPolarHBondContact CB-OE2 3.5Å; T317-E326 WeakPolarHBondContact CG2-OE2 3.31Å; T317-E326 PolarHBondContact OG1-OE2 2.93Å
318R95.4Very high96.5Very high7 Ų768.2 Ų68.23%0.02635%0.351CS..G310 helixtrans-49.6-41.9-177-176-178.4-59.4159.1-1.1114.4W310 W311 H313 D314 L315 R320 M321W310-R318 HydrophobicContact CD2-CG 4.5Å; W310-R318 HydrophobicContact CE3-CG 3.75Å; W310-R318 HydrophobicContact CZ3-CG 4.24Å; W310-R318 WeakPolarHBondContact O-CD 3.41Å; W310-R318 WeakPolarHBondContact O-CG 3.45Å; W310-R318 PolarHBondContact O-NE 3.26Å; W310-R318 VanDerWaalsContact O-NE 3.09Å; W311-R318 PolarHBondContact O-NH2 3.3Å; H313-R318 HydrophobicContact CB-CB 4.49Å; H313-R318 HydrophobicContact CB-CG 4.37Å; H313-R318 WeakPolarHBondContact CD2-CA 3.4Å; H313-R318 PolarHBondContact CD2-N 2.91Å; H313-R318 PolarHBondContact O-NE 3.07Å; H313-R318 PolarHBondContact O-NH2 3.35Å; D314-R318 VanDerWaalsContact O-CB 3.29Å; D314-R318 WeakPolarHBondContact O-CB 3.49Å; D314-R318 PolarHBondContact O-N 3.37Å; L315-R318 VanDerWaalsContact CD2-NH2 3.34Å; R318-R320 VanDerWaalsContact C-N 3.26Å; R318-R320 PolarHBondContact O-N 2.93Å; R318-M321 PolarHBondContact O-N 2.54Å
319F96.1Very high96.4Very high100 Ų10066.1 Ų66.144%0.43934%0.344SS..G310 helixtrans-81.1-0.5-178.3-64.4-70.9000114.3A115 W310 T317 M321A115-F319 HydrophobicContact CB-CE2 4.29Å; A115-F319 HydrophobicContact CB-CZ 4.01Å; W310-F319 HydrophobicContact CH2-CD1 4.47Å; W310-F319 HydrophobicContact CH2-CE1 4.03Å; W310-F319 HydrophobicContact CZ3-CD1 4.08Å; W310-F319 AromaticContact CZ3-CE1 3.98Å; W310-F319 HydrophobicContact CZ3-CE1 3.98Å; T317-F319 VanDerWaalsContact C-N 3.28Å; T317-F319 PolarHBondContact O-N 3.22Å; T317-F319 VanDerWaalsContact O-N 3.12Å; F319-M321 VanDerWaalsContact C-N 3.26Å; F319-M321 HydrophobicContact CD1-CE 4.42Å
320R97.2Very high96.4Very high172 Ų17265.8 Ų65.865%0.64934%0.34SS*.G310 helixtrans-73.6-20.7170.2-60-179.9-174.7172.10.7112.4T317 R318 T322T317-R320 VanDerWaalsContact O-CB 3.24Å; T317-R320 WeakPolarHBondContact O-CB 3.22Å; T317-R320 WeakPolarHBondContact O-CG 3.45Å; T317-R320 PolarHBondContact O-N 2.75Å; R318-R320 VanDerWaalsContact C-N 3.26Å; R318-R320 PolarHBondContact O-N 2.93Å; R320-T322 VanDerWaalsContact C-N 3.27Å; R320-T322 HydrophobicContact CB-CG2 4.04Å; R320-T322 PolarHBondContact O-N 2.92Å
321M95.8Very high96.4Very high125 Ų12560.6 Ų60.662%0.61632%0.321SS*.  trans51.140.6173.2-56.5-175.6-176.800114.1W310 R318 F319 N323W310-M321 HydrophobicContact CH2-CE 4.41Å; W310-M321 HydrophobicContact CZ3-CE 3.98Å; R318-M321 PolarHBondContact O-N 2.54Å; F319-M321 VanDerWaalsContact C-N 3.26Å; F319-M321 HydrophobicContact CD1-CE 4.42Å; M321-N323 PolarHBondContact O-N 3.11Å
322T97.8Very high96.4Very high77 Ų7761.1 Ų61.147%0.47233%0.325SS..  trans-75.4-6.1-177.858.70000113.8R320 V324R320-T322 VanDerWaalsContact C-N 3.27Å; R320-T322 HydrophobicContact CB-CG2 4.04Å; R320-T322 PolarHBondContact O-N 2.92Å; T322-V324 PolarHBondContact O-N 2.93Å; T322-V324 VanDerWaalsContact O-N 3.12Å; T322-V324 PolarHBondContact OG1-N 3.29Å
323N96.9Very high96.4Very high165 Ų16561 Ų6188%0.88233%0.325SS*.SBendtrans5616.1-169.3-63.4-17.7000114.7M321M321-N323 PolarHBondContact O-N 3.11Å
324V97.6Very high96.4Very high95 Ų9560.4 Ų60.458%0.57632%0.322SS*.  trans-102.9108.5170.9179.60000107.2H313 T322 E326H313-V324 PolarHBondContact CE1-O 3.09Å; T322-V324 PolarHBondContact O-N 2.93Å; T322-V324 VanDerWaalsContact O-N 3.12Å; T322-V324 PolarHBondContact OG1-N 3.29Å; V324-E326 PolarHBondContact O-N 3.15Å
325M97.4Very high96.5Very high75 Ų7557.8 Ų57.837%0.36931%0.308SS..  trans-69.1116.3-175.1178.762.877.400111.6L308 H313 L327L308-M325 HydrophobicContact CB-CE 4.18Å; L308-M325 HydrophobicContact CD2-CE 4.43Å; H313-M325 HydrophobicContact CB-SD 3.81Å; M325-L327 HydrophobicContact CG-CB 4.05Å; M325-L327 HydrophobicContact SD-CB 4.49Å; M325-L327 HydrophobicContact SD-CD1 4.39Å
326E97.7Very high96.8Very high82 Ų8256.9 Ų56.938%0.38330%0.303SS..  trans-100.382.8166.4-64.8171.1-157.900106.8H313 D314 T317 V324 Q328H313-E326 CarbonylContact C-O 3.01Å; H313-E326 WeakPolarHBondContact CA-O 3.38Å; H313-E326 PolarHBondContact CE1-N 2.72Å; H313-E326 PolarHBondContact ND1-N 3.19Å; D314-E326 HydrophobicContact CB-CB 4.03Å; D314-E326 PolarHBondContact N-O 3.04Å; T317-E326 WeakPolarHBondContact CB-OE2 3.5Å; T317-E326 WeakPolarHBondContact CG2-OE2 3.31Å; T317-E326 PolarHBondContact OG1-OE2 2.93Å; V324-E326 PolarHBondContact O-N 3.15Å; E326-Q328 PolarHBondContact O-N 3.11Å
327L97.8Very high97Very high53 Ų5356.3 Ų56.328%0.27729%0.294SS..BIsolated β-bridgetrans-66.2128.4-170.7-176.867.3000111.2K304 P305 L308 M325K304-L327 HydrophobicContact CD-CD2 3.97Å; P305-L327 HydrophobicContact CG-CD1 4.08Å; P305-L327 HydrophobicContact CG-CD2 4.05Å; L308-L327 HydrophobicContact CD2-CD1 3.81Å; M325-L327 HydrophobicContact CG-CB 4.05Å; M325-L327 HydrophobicContact SD-CB 4.49Å; M325-L327 HydrophobicContact SD-CD1 4.39Å
328Q96.2Very high97Very high18 Ų1859.9 Ų59.98%0.08431%0.312CS..PPolyproline II helixtrans-62.2140.1171-71.3-173.224.800110.9G312 H313 E326 G333G312-Q328 WeakPolarHBondContact O-CB 3.37Å; G312-Q328 WeakPolarHBondContact O-CG 3.27Å; G312-Q328 PolarHBondContact O-N 3.43Å; H313-Q328 PolarHBondContact O-NE2 3.12Å; E326-Q328 PolarHBondContact O-N 3.11Å; Q328-G333 WeakPolarHBondContact O-CA 3.39Å
329P95.8Very high96.9Very high58 Ų5859.9 Ų59.938%0.37731%0.313SS..SBendtrans-70.5154.3179.229.1-34.4000112.3K300K300-P329 HydrophobicContact CD-CB 3.93Å; K300-P329 HydrophobicContact CG-CB 3.46Å; K300-P329 VanDerWaalsContact CG-CB 3.46Å
330G96.9Very high96.9Very high9 Ų957.7 Ų57.79%0.09331%0.309CS..G310 helixtrans64.5-149.9173.900000114.1K300 S332 G333K300-G330 PolarHBondContact O-N 3.42Å; G330-S332 VanDerWaalsContact C-N 3.26Å; G330-S332 PolarHBondContact O-N 3.48Å; G330-G333 PolarHBondContact O-N 2.88Å
331V98.1Very high96.9Very high0 Ų050.7 Ų50.70%028%0.284CS..G310 helixtrans-65.1-27.9-173.769.80000113.1E135 V136 A137 A293 I295 G333 F334E135-V331 WeakPolarHBondContact O-CG1 3.14Å; V136-V331 VanDerWaalsContact C-CG1 3.41Å; A137-V331 HydrophobicContact CB-CB 4.43Å; A137-V331 HydrophobicContact CB-CG1 3.94Å; A137-V331 HydrophobicContact CB-CG2 3.82Å; A293-V331 HydrophobicContact CB-CG2 3.9Å; I295-V331 HydrophobicContact CB-CB 3.95Å; I295-V331 HydrophobicContact CB-CG2 4.49Å; I295-V331 HydrophobicContact CD1-CB 4.05Å; I295-V331 HydrophobicContact CD1-CG2 4.1Å; I295-V331 HydrophobicContact CG1-CB 3.9Å; I295-V331 HydrophobicContact CG1-CG2 3.94Å; V331-G333 PolarHBondContact O-N 3.26Å; V331-F334 VanDerWaalsContact O-CB 3.3Å; V331-F334 WeakPolarHBondContact O-CB 3.42Å; V331-F334 PolarHBondContact O-N 3.49Å
332S96.3Very high97.1Very high17 Ų1748.3 Ų48.312%0.11927%0.273CS..G310 helixtrans-62.7-29.7178.9-45.50000111.9G330 F334 R335G330-S332 VanDerWaalsContact C-N 3.26Å; G330-S332 PolarHBondContact O-N 3.48Å; S332-F334 PolarHBondContact O-N 3.04Å; S332-R335 WeakPolarHBondContact O-CB 3.39Å; S332-R335 PolarHBondContact O-N 3.37Å
333G97.4Very high97.1Very high0 Ų047.5 Ų47.50%027%0.266CS..G310 helixtrans-64.7-18.4172.200000114.3P305 Q328 G330 V331 R335P305-G333 WeakPolarHBondContact CG-O 3.28Å; Q328-G333 WeakPolarHBondContact O-CA 3.39Å; G330-G333 PolarHBondContact O-N 2.88Å; V331-G333 PolarHBondContact O-N 3.26Å; G333-R335 VanDerWaalsContact C-N 3.32Å
334F98.5Very high97.1Very high3 Ų339.6 Ų39.61%0.01322%0.223CC..G310 helixtrans-83.9-4.7178.4-73.2-118.8000113.2M139 L149 S152 I295 I303 P305 V331 S332 L336M139-F334 HydrophobicContact CE-CB 3.96Å; L149-F334 HydrophobicContact CD2-CD1 4.41Å; L149-F334 HydrophobicContact CD2-CE1 4.43Å; S152-F334 VanDerWaalsContact OG-CE1 3.25Å; S152-F334 WeakPolarHBondContact OG-CE1 3.47Å; I295-F334 HydrophobicContact CD1-CD1 4.27Å; I295-F334 HydrophobicContact CD1-CD2 3.66Å; I295-F334 HydrophobicContact CD1-CE1 4.02Å; I295-F334 HydrophobicContact CD1-CE2 3.4Å; I295-F334 VanDerWaalsContact CD1-CE2 3.4Å; I295-F334 HydrophobicContact CD1-CG 4.11Å; I295-F334 HydrophobicContact CD1-CZ 3.6Å; I303-F334 HydrophobicContact CG2-CZ 4.22Å; P305-F334 HydrophobicContact CB-CD1 3.99Å; P305-F334 HydrophobicContact CB-CD2 3.93Å; P305-F334 HydrophobicContact CB-CE1 4.13Å; P305-F334 HydrophobicContact CB-CE2 4.05Å; P305-F334 HydrophobicContact CB-CG 3.88Å; P305-F334 HydrophobicContact CB-CZ 4.14Å; P305-F334 HydrophobicContact CG-CD2 4.38Å; P305-F334 HydrophobicContact CG-CE2 4.46Å; V331-F334 VanDerWaalsContact O-CB 3.3Å; V331-F334 WeakPolarHBondContact O-CB 3.42Å; V331-F334 PolarHBondContact O-N 3.49Å; S332-F334 PolarHBondContact O-N 3.04Å; F334-L336 PolarHBondContact O-N 2.75Å
335R97.2Very high97.2Very high3 Ų335.1 Ų35.11%0.01120%0.196CC..  trans-71.6123.8174.8-72.6171.767.4-16013110.3E118 A137 M139 W311 G312 S332 G333 Q339E118-R335 VanDerWaalsContact CD-NH2 3.33Å; E118-R335 IonicContact OE1-CZ 2.75Å; E118-R335 IonicContact OE1-NH1 3.35Å; E118-R335 PolarHBondContact OE1-NH1 3.02Å; E118-R335 IonicContact OE1-NH2 2.93Å; E118-R335 PolarHBondContact OE1-NH2 3.2Å; E118-R335 IonicContact OE2-CZ 3.98Å; E118-R335 IonicContact OE2-NH1 3.04Å; E118-R335 IonicContact OE2-NH2 3.3Å; E118-R335 PolarHBondContact OE2-NH2 3.36Å; A137-R335 HydrophobicContact CB-CG 4.35Å; M139-R335 HydrophobicContact CB-CG 4.31Å; M139-R335 HydrophobicContact SD-CB 4.4Å; M139-R335 HydrophobicContact SD-CG 3.75Å; W311-R335 CarbonylContact C-O 3.58Å; W311-R335 HydrophobicContact CB-CB 4.16Å; W311-R335 VanDerWaalsContact CD1-CZ 3.46Å; G312-R335 WeakPolarHBondContact CA-O 3.04Å; G312-R335 PolarHBondContact N-O 2.89Å; S332-R335 WeakPolarHBondContact O-CB 3.39Å; S332-R335 PolarHBondContact O-N 3.37Å; G333-R335 VanDerWaalsContact C-N 3.32Å; R335-Q339 VanDerWaalsContact NH2-CD 3.27Å
336L97.9Very high97.2Very high40 Ų4032.3 Ų32.321%0.20918%0.183CC..  trans-88.9-44.7-179.7-55.3-177.2000112.1L148 L307 G309 W310 W311 F334L148-L336 HydrophobicContact CD1-CD1 4.24Å; L148-L336 HydrophobicContact CD1-CG 4.41Å; L148-L336 HydrophobicContact CD2-CD1 4.01Å; L307-L336 HydrophobicContact CB-CD2 4.14Å; L307-L336 WeakPolarHBondContact O-CD2 3.27Å; G309-L336 CarbonylContact C-O 3.41Å; G309-L336 VanDerWaalsContact CA-O 3.29Å; G309-L336 WeakPolarHBondContact CA-O 3.44Å; W310-L336 PolarHBondContact N-O 2.89Å; W311-L336 PolarHBondContact N-O 2.98Å; F334-L336 PolarHBondContact O-N 2.75Å
337S97.1Very high97.3Very high72 Ų7228.4 Ų28.450%0.50317%0.165SC..SBendtrans-130.9170.1-166.5-63.10000112.5W311W311-S337 VanDerWaalsContact CB-O 3.29Å; W311-S337 WeakPolarHBondContact CB-O 3.28Å; W311-S337 VanDerWaalsContact CG-C 3.46Å; W311-S337 VanDerWaalsContact CG-O 3.23Å
338N95.3Very high97.3Very high86 Ų8626.8 Ų26.846%0.4616%0.156SC..  trans-57.5148.1172.351.298.3000111.2W311W311-N338 HydrophobicContact CD2-CB 3.92Å; W311-N338 VanDerWaalsContact CD2-N 3.26Å; W311-N338 VanDerWaalsContact CE2-CA 3.41Å; W311-N338 VanDerWaalsContact CE3-CA 3.47Å; W311-N338 HydrophobicContact CE3-CB 3.76Å; W311-N338 HydrophobicContact CH2-CB 3.41Å; W311-N338 VanDerWaalsContact CH2-CB 3.41Å; W311-N338 HydrophobicContact CZ2-CB 3.49Å; W311-N338 VanDerWaalsContact CZ2-CB 3.49Å; W311-N338 HydrophobicContact CZ3-CB 3.41Å; W311-N338 VanDerWaalsContact CZ3-CB 3.41Å
339Q94Very high97.4Very high8 Ų825.9 Ų25.94%0.03715%0.152CC..  trans-72134.7173.3-81166.9-41.200110.4A117 E118 L138 R335 I341 V344A117-Q339 HydrophobicContact CB-CB 4.41Å; E118-Q339 PolarHBondContact OE2-OE1 3.25Å; L138-Q339 PolarHBondContact O-NE2 2.89Å; R335-Q339 VanDerWaalsContact NH2-CD 3.27Å; Q339-I341 PolarHBondContact O-N 3.02Å; Q339-I341 VanDerWaalsContact O-N 3.08Å; Q339-V344 HydrophobicContact CB-CG2 4.37Å
340P96.7Very high97.6Very high54 Ų5423.1 Ų23.135%0.35113%0.134SC..  trans-73.2101.3173.928.6-32.4000109.6L290 L342 L343 V344L290-P340 HydrophobicContact CD1-CG 4.02Å; P340-L342 PolarHBondContact O-N 3.13Å; P340-L342 VanDerWaalsContact O-N 3.09Å; P340-L343 HydrophobicContact CB-CB 4.48Å; P340-L343 HydrophobicContact CB-CD1 4.27Å; P340-L343 HydrophobicContact CB-CG 4.15Å; P340-L343 HydrophobicContact CG-CB 4.06Å; P340-L343 HydrophobicContact CG-CD1 3.69Å; P340-L343 HydrophobicContact CG-CG 3.95Å; P340-L343 PolarHBondContact O-N 3.26Å; P340-V344 PolarHBondContact O-N 3.47Å
341I97.6Very high97.7Very high25 Ų2522.8 Ų22.813%0.12813%0.13CC..Hα-helixtrans-53.5-34.9-175.4-173.967.5000113.4E95 R112 W114 A117 Q339 L343 V344 C345E95-I341 HydrophobicContact CB-CG1 4.28Å; E95-I341 HydrophobicContact CG-CD1 4.42Å; E95-I341 HydrophobicContact CG-CG1 3.84Å; R112-I341 HydrophobicContact CB-CD1 3.96Å; W114-I341 HydrophobicContact CG-CB 4.23Å; W114-I341 HydrophobicContact CG-CG1 4.23Å; W114-I341 HydrophobicContact CG-CG2 4.36Å; A117-I341 HydrophobicContact CB-CD1 4.25Å; Q339-I341 PolarHBondContact O-N 3.02Å; Q339-I341 VanDerWaalsContact O-N 3.08Å; I341-L343 PolarHBondContact O-N 3.33Å; I341-V344 HydrophobicContact CD1-CB 4.22Å; I341-V344 HydrophobicContact CD1-CG1 4.35Å; I341-V344 WeakPolarHBondContact O-CB 3.37Å; I341-V344 PolarHBondContact O-N 3.03Å; I341-C345 PolarHBondContact O-N 2.68Å; I341-C345 VanDerWaalsContact O-N 3.09Å; I341-C345 PolarHBondContact O-SG 2.97Å
342L98.1Very high97.7Very high74 Ų7425.4 Ų25.439%0.38714%0.142SC..Hα-helixtrans-66.6-24.2178.4-57.2-176.3000113.2L92 L96 P340 P346L92-L342 HydrophobicContact CD2-CB 4.04Å; L92-L342 HydrophobicContact CD2-CD2 4.04Å; L92-L342 WeakPolarHBondContact CD2-O 3.46Å; L96-L342 HydrophobicContact CD2-CD2 4.27Å; P340-L342 PolarHBondContact O-N 3.13Å; P340-L342 VanDerWaalsContact O-N 3.09Å; L342-P346 WeakPolarHBondContact O-CD 3.44Å
343L98.3Very high97.8Very high60 Ų6024.8 Ų24.831%0.31414%0.138SC..Hα-helixtrans-87-23.5171.7-56.3-173.7000112.4L290 P340 I341 C345L290-L343 HydrophobicContact CB-CB 3.94Å; P340-L343 HydrophobicContact CB-CB 4.48Å; P340-L343 HydrophobicContact CB-CD1 4.27Å; P340-L343 HydrophobicContact CB-CG 4.15Å; P340-L343 HydrophobicContact CG-CB 4.06Å; P340-L343 HydrophobicContact CG-CD1 3.69Å; P340-L343 HydrophobicContact CG-CG 3.95Å; P340-L343 PolarHBondContact O-N 3.26Å; I341-L343 PolarHBondContact O-N 3.33Å; L343-C345 VanDerWaalsContact C-N 3.34Å
344V98.3Very high97.9Very high0 Ų025 Ų250%014%0.139CC..Hα-helixtrans-65.2-40.8172171.40000110.4A117 I121 L290 Q339 P340 I341 L347 Q348A117-V344 HydrophobicContact CB-CG1 4.43Å; A117-V344 HydrophobicContact CB-CG2 4.11Å; I121-V344 HydrophobicContact CD1-CG1 4.05Å; I121-V344 HydrophobicContact CD1-CG2 4.02Å; I121-V344 HydrophobicContact CG2-CG1 4.06Å; L290-V344 HydrophobicContact CD2-CG2 4Å; Q339-V344 HydrophobicContact CB-CG2 4.37Å; P340-V344 PolarHBondContact O-N 3.47Å; I341-V344 HydrophobicContact CD1-CB 4.22Å; I341-V344 HydrophobicContact CD1-CG1 4.35Å; I341-V344 WeakPolarHBondContact O-CB 3.37Å; I341-V344 PolarHBondContact O-N 3.03Å; V344-L347 PolarHBondContact O-N 2.93Å; V344-Q348 WeakPolarHBondContact O-CB 3.31Å; V344-Q348 PolarHBondContact O-N 3.09Å
345C98.5Very high97.9Very high0 Ų028.9 Ų28.90%016%0.16CC..Hα-helixtrans-53.9-58.8-177.3-66.30000114.6Y91 L92 E95 I341 L343 L347 Q348 A349Y91-C345 PolarHBondContact O-SG 3.41Å; L92-C345 HydrophobicContact CD2-CB 3.98Å; L92-C345 HydrophobicContact CG-CB 4.04Å; E95-C345 WeakPolarHBondContact CG-SG 3.47Å; I341-C345 PolarHBondContact O-N 2.68Å; I341-C345 VanDerWaalsContact O-N 3.09Å; I341-C345 PolarHBondContact O-SG 2.97Å; L343-C345 VanDerWaalsContact C-N 3.34Å; C345-L347 VanDerWaalsContact C-N 3.31Å; C345-L347 PolarHBondContact O-N 2.83Å; C345-Q348 PolarHBondContact O-N 3.29Å; C345-A349 PolarHBondContact O-N 3.11Å
346P98.6Very high97.9Very high16 Ų1633.1 Ų33.110%0.10418%0.181CC..Hα-helixtrans-68.4-30.3179.828.1-36.1000112.7A88 S285 L342 S350A88-P346 HydrophobicContact CB-CB 4.04Å; S285-P346 WeakPolarHBondContact O-CB 3.45Å; S285-P346 WeakPolarHBondContact O-CG 3.46Å; L342-P346 WeakPolarHBondContact O-CD 3.44Å; P346-S350 PolarHBondContact O-N 2.91Å; P346-S350 VanDerWaalsContact O-N 3.14Å
347L98.7Very high97.9Very high0 Ų032.4 Ų32.40%018%0.181CC..Hα-helixtrans-66.1-48.1174.4178.554.7000111.1L138 L290 V344 C345 A349 S350 L351L138-L347 HydrophobicContact CD1-CD2 3.83Å; L138-L347 HydrophobicContact CD2-CD2 4.06Å; L138-L347 HydrophobicContact CG-CD2 4.41Å; L290-L347 HydrophobicContact CB-CD2 4.33Å; V344-L347 PolarHBondContact O-N 2.93Å; C345-L347 VanDerWaalsContact C-N 3.31Å; C345-L347 PolarHBondContact O-N 2.83Å; L347-A349 VanDerWaalsContact C-N 3.33Å; L347-A349 PolarHBondContact O-N 2.98Å; L347-S350 WeakPolarHBondContact O-CB 3.37Å; L347-S350 PolarHBondContact O-N 2.69Å; L347-S350 VanDerWaalsContact O-N 3.11Å; L347-L351 HydrophobicContact CD1-CD1 4.07Å; L347-L351 HydrophobicContact CD1-CD2 4.35Å; L347-L351 HydrophobicContact CD1-CG 3.96Å; L347-L351 HydrophobicContact CG-CD1 3.96Å; L347-L351 HydrophobicContact CG-CG 4.29Å; L347-L351 WeakPolarHBondContact O-CG 3.34Å; L347-L351 PolarHBondContact O-N 2.76Å
348Q98.6Very high97.9Very high19 Ų1931.7 Ų31.79%0.08918%0.176CC..Hα-helixtrans-57.5-46.6175.8-176.4-175.7-20.600111.2Y91 I121 V344 C345 S350 L351 E352Y91-Q348 HydrophobicContact CD2-CB 4.42Å; Y91-Q348 HydrophobicContact CD2-CG 4.44Å; Y91-Q348 HydrophobicContact CE2-CG 4.13Å; I121-Q348 HydrophobicContact CG2-CB 3.83Å; I121-Q348 HydrophobicContact CG2-CG 4.32Å; V344-Q348 WeakPolarHBondContact O-CB 3.31Å; V344-Q348 PolarHBondContact O-N 3.09Å; C345-Q348 PolarHBondContact O-N 3.29Å; Q348-S350 PolarHBondContact O-N 3.36Å; Q348-L351 PolarHBondContact O-N 3.19Å; Q348-E352 PolarHBondContact NE2-OE1 3.48Å; Q348-E352 WeakPolarHBondContact O-CG 3.12Å; Q348-E352 PolarHBondContact O-N 3.18Å
349A98.6Very high98Very high0 Ų028.8 Ų28.80%016%0.16CC..Hα-helixtrans-57.6-35.9177.400000112.6P85 N87 A88 Y91 C345 L347P85-A349 HydrophobicContact CB-CB 4.18Å; N87-A349 HydrophobicContact CB-CB 3.92Å; A88-A349 HydrophobicContact CB-CB 4.25Å; Y91-A349 HydrophobicContact CD2-CB 3.92Å; Y91-A349 HydrophobicContact CE2-CB 4.1Å; C345-A349 PolarHBondContact O-N 3.11Å; L347-A349 VanDerWaalsContact C-N 3.33Å; L347-A349 PolarHBondContact O-N 2.98Å
350S98.8Very high98.2Very high0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-72.7-47.4174.4-178.60000112.5L283 P346 L347 Q348 E352 V353 F354L283-S350 WeakPolarHBondContact O-CB 3.47Å; L283-S350 PolarHBondContact O-OG 3.46Å; P346-S350 PolarHBondContact O-N 2.91Å; P346-S350 VanDerWaalsContact O-N 3.14Å; L347-S350 WeakPolarHBondContact O-CB 3.37Å; L347-S350 PolarHBondContact O-N 2.69Å; L347-S350 VanDerWaalsContact O-N 3.11Å; Q348-S350 PolarHBondContact O-N 3.36Å; S350-E352 PolarHBondContact O-N 3.43Å; S350-V353 WeakPolarHBondContact O-CA 3.37Å; S350-V353 WeakPolarHBondContact O-CB 3.29Å; S350-V353 PolarHBondContact O-N 2.92Å; S350-F354 WeakPolarHBondContact O-CD2 3.44Å; S350-F354 PolarHBondContact O-N 3.33Å
351L98.6Very high98.2Very high2 Ų234.7 Ų34.71%0.0119%0.187CC..Hα-helixtrans-60.3-34.5-179.2-68.4177000112I121 M125 I128 L283 L347 Q348 V353 F354 N355I121-L351 HydrophobicContact CB-CD1 3.92Å; I121-L351 HydrophobicContact CG2-CD1 4.09Å; I121-L351 WeakPolarHBondContact O-CD1 3.41Å; M125-L351 HydrophobicContact SD-CD2 4.26Å; I128-L351 HydrophobicContact CD1-CD2 3.44Å; I128-L351 VanDerWaalsContact CD1-CD2 3.44Å; L283-L351 HydrophobicContact CD2-CD2 4.46Å; L347-L351 HydrophobicContact CD1-CD1 4.07Å; L347-L351 HydrophobicContact CD1-CD2 4.35Å; L347-L351 HydrophobicContact CD1-CG 3.96Å; L347-L351 HydrophobicContact CG-CD1 3.96Å; L347-L351 HydrophobicContact CG-CG 4.29Å; L347-L351 WeakPolarHBondContact O-CG 3.34Å; L347-L351 PolarHBondContact O-N 2.76Å; Q348-L351 PolarHBondContact O-N 3.19Å; L351-V353 VanDerWaalsContact C-N 3.31Å; L351-V353 PolarHBondContact O-N 2.97Å; L351-F354 WeakPolarHBondContact O-CB 3.49Å; L351-F354 PolarHBondContact O-N 3.45Å; L351-N355 PolarHBondContact O-N 3.16Å; L351-N355 PolarHBondContact O-ND2 3.49Å
352E98.4Very high98.2Very high54 Ų5433.7 Ų33.725%0.25218%0.181SC..Hα-helixtrans-61.9-36.2172.3-74.9172.2-170.200112.7Y91 Q348 S350 N355 M356Y91-E352 WeakPolarHBondContact CE2-OE1 3.45Å; Y91-E352 WeakPolarHBondContact CE2-OE2 3.39Å; Y91-E352 PolarHBondContact OH-OE1 2.8Å; Y91-E352 VanDerWaalsContact OH-OE1 3.05Å; Y91-E352 PolarHBondContact OH-OE2 3.28Å; Q348-E352 PolarHBondContact NE2-OE1 3.48Å; Q348-E352 WeakPolarHBondContact O-CG 3.12Å; Q348-E352 PolarHBondContact O-N 3.18Å; S350-E352 PolarHBondContact O-N 3.43Å; E352-N355 PolarHBondContact O-N 2.73Å; E352-M356 WeakPolarHBondContact O-CG 3.46Å; E352-M356 PolarHBondContact O-N 3.29Å
353V98.8Very high98.2Very high4 Ų431.2 Ų31.22%0.02417%0.167CC..Hα-helixtrans-70.7-39.4173.4-176.60000110.9L47 N50 F51 S350 L351 N355 M356 L445L47-V353 HydrophobicContact CD2-CG1 4.35Å; N50-V353 HydrophobicContact CB-CG1 4.14Å; N50-V353 HydrophobicContact CB-CG2 3.68Å; F51-V353 HydrophobicContact CE2-CG1 3.74Å; F51-V353 HydrophobicContact CZ-CB 4.4Å; F51-V353 HydrophobicContact CZ-CG1 3.94Å; S350-V353 WeakPolarHBondContact O-CA 3.37Å; S350-V353 WeakPolarHBondContact O-CB 3.29Å; S350-V353 PolarHBondContact O-N 2.92Å; L351-V353 VanDerWaalsContact C-N 3.31Å; L351-V353 PolarHBondContact O-N 2.97Å; V353-N355 VanDerWaalsContact C-N 3.25Å; V353-N355 PolarHBondContact O-N 2.82Å; V353-M356 WeakPolarHBondContact O-CB 3.19Å; V353-M356 PolarHBondContact O-N 2.9Å; V353-M356 VanDerWaalsContact O-N 3.13Å; V353-L445 HydrophobicContact CG1-CD2 4.19Å
354F98.7Very high98.2Very high6 Ų632.3 Ų32.33%0.02617%0.167CC..Hα-helixtrans-58.5-39.4171.8-85.6-87.3000111.7I128 Y282 L283 S350 L351 M356 A357 M359 L362 L445I128-F354 HydrophobicContact CD1-CB 3.84Å; I128-F354 HydrophobicContact CD1-CD1 3.98Å; I128-F354 HydrophobicContact CD1-CD2 4.34Å; I128-F354 HydrophobicContact CD1-CG 3.8Å; I128-F354 HydrophobicContact CG1-CD1 4.4Å; Y282-F354 VanDerWaalsContact O-CZ 3.3Å; Y282-F354 WeakPolarHBondContact O-CZ 3.37Å; L283-F354 HydrophobicContact CD2-CD2 4.37Å; L283-F354 HydrophobicContact CD2-CE2 3.84Å; L283-F354 HydrophobicContact CD2-CZ 3.93Å; S350-F354 WeakPolarHBondContact O-CD2 3.44Å; S350-F354 PolarHBondContact O-N 3.33Å; L351-F354 WeakPolarHBondContact O-CB 3.49Å; L351-F354 PolarHBondContact O-N 3.45Å; F354-M356 PolarHBondContact O-N 3.45Å; F354-A357 CarbonylContact O-C 3.58Å; F354-A357 PolarHBondContact O-N 3.31Å; F354-M359 HydrophobicContact CD1-SD 3.96Å; F354-M359 HydrophobicContact CE1-SD 3.88Å; F354-L362 HydrophobicContact CD1-CD1 3.75Å; F354-L362 HydrophobicContact CE1-CD1 3.89Å; F354-L445 HydrophobicContact CE1-CD1 4.18Å; F354-L445 HydrophobicContact CE2-CD1 3.81Å; F354-L445 HydrophobicContact CZ-CD1 3.63Å
355N98.2Very high98.2Very high84 Ų8432.6 Ų32.645%0.44917%0.168SC..THydrogen-bonded Turntrans-69.1-13.2178.2-69.1-20.8000114.1S124 L351 E352 V353 A357S124-N355 PolarHBondContact OG-ND2 3.42Å; L351-N355 PolarHBondContact O-N 3.16Å; L351-N355 PolarHBondContact O-ND2 3.49Å; E352-N355 PolarHBondContact O-N 2.73Å; V353-N355 VanDerWaalsContact C-N 3.25Å; V353-N355 PolarHBondContact O-N 2.82Å; N355-A357 PolarHBondContact O-N 2.95Å
356M98.4Very high98.2Very high91 Ų9132.6 Ų32.645%0.44817%0.168SC..THydrogen-bonded Turntrans-74.9-10.3170.8-60175.1-169.700112.3L47 E352 V353 F354L47-M356 HydrophobicContact CD2-CB 3.66Å; L47-M356 HydrophobicContact CD2-SD 4.2Å; E352-M356 WeakPolarHBondContact O-CG 3.46Å; E352-M356 PolarHBondContact O-N 3.29Å; V353-M356 WeakPolarHBondContact O-CB 3.19Å; V353-M356 PolarHBondContact O-N 2.9Å; V353-M356 VanDerWaalsContact O-N 3.13Å; F354-M356 PolarHBondContact O-N 3.45Å
357A97.2Very high98.2Very high26 Ų2633.6 Ų33.622%0.21517%0.174CC..SBendtrans-138.2-179.2179.100000111L44 L47 F354 N355 L362L44-A357 HydrophobicContact CD2-CB 4.07Å; L47-A357 HydrophobicContact CD1-CB 3.94Å; F354-A357 CarbonylContact O-C 3.58Å; F354-A357 PolarHBondContact O-N 3.31Å; N355-A357 PolarHBondContact O-N 2.95Å; A357-L362 HydrophobicContact CB-CG 4.27Å
358S97.3Very high98.2Very high56 Ų5633.7 Ų33.739%0.39217%0.174SC..  trans-109150.9167.161.80000110.3Q360 S361 L362S358-Q360 PolarHBondContact O-N 3.47Å; S358-S361 PolarHBondContact N-OG 3.49Å; S358-S361 VanDerWaalsContact N-OG 3.09Å; S358-S361 PolarHBondContact O-N 2.95Å; S358-S361 PolarHBondContact O-OG 2.87Å; S358-S361 WeakPolarHBondContact OG-CB 3.38Å; S358-S361 PolarHBondContact OG-N 3.35Å; S358-S361 VanDerWaalsContact OG-N 3.11Å; S358-S361 PolarHBondContact OG-OG 2.98Å; S358-S361 VanDerWaalsContact OG-OG 3.12Å; S358-L362 PolarHBondContact O-N 2.69Å
359M98Very high98.2Very high26 Ų2632.8 Ų32.813%0.12817%0.17CC..Hα-helixtrans-54.2-39171.1-80.8-53.7-54.300111.8I128 F354 S361 L362 R363I128-M359 HydrophobicContact CB-CG 4.45Å; I128-M359 HydrophobicContact CG1-CG 4.41Å; I128-M359 HydrophobicContact CG2-CG 4.26Å; I128-M359 HydrophobicContact CG2-SD 4.15Å; F354-M359 HydrophobicContact CD1-SD 3.96Å; F354-M359 HydrophobicContact CE1-SD 3.88Å; M359-S361 PolarHBondContact O-N 3.35Å; M359-L362 PolarHBondContact O-N 2.78Å; M359-L362 HydrophobicContact SD-CD1 4Å; M359-R363 WeakPolarHBondContact O-CB 3.43Å; M359-R363 PolarHBondContact O-N 3.42Å
360Q97.2Very high98.2Very high151 Ų15132.8 Ų32.871%0.70617%0.17SC*.Hα-helixtrans-58.2-44.9174.6-173.1-177.815.400112.4S358 R363 R364S358-Q360 PolarHBondContact O-N 3.47Å; Q360-R363 PolarHBondContact O-N 2.71Å; Q360-R364 WeakPolarHBondContact O-CB 3.43Å; Q360-R364 PolarHBondContact O-N 2.77Å
361S97.4Very high98.2Very high35 Ų3532.8 Ų32.825%0.24517%0.17CC..Hα-helixtrans-67.5-42178.666.50000112.5S358 M359 R363 R364 K365S358-S361 PolarHBondContact N-OG 3.49Å; S358-S361 VanDerWaalsContact N-OG 3.09Å; S358-S361 PolarHBondContact O-N 2.95Å; S358-S361 PolarHBondContact O-OG 2.87Å; S358-S361 WeakPolarHBondContact OG-CB 3.38Å; S358-S361 PolarHBondContact OG-N 3.35Å; S358-S361 VanDerWaalsContact OG-N 3.11Å; S358-S361 PolarHBondContact OG-OG 2.98Å; S358-S361 VanDerWaalsContact OG-OG 3.12Å; M359-S361 PolarHBondContact O-N 3.35Å; S361-R363 VanDerWaalsContact C-N 3.32Å; S361-R363 PolarHBondContact O-N 3.4Å; S361-R364 PolarHBondContact O-N 3.4Å; S361-K365 PolarHBondContact O-N 2.76Å; S361-K365 VanDerWaalsContact O-N 3.09Å
362L98.6Very high98.2Very high4 Ų432.7 Ų32.72%0.02117%0.17CC..Hα-helixtrans-61.4-44.1174.6-69.6168.2000110.6L44 L47 F354 A357 S358 M359 K365 S366 P444 L445L44-L362 HydrophobicContact CD1-CD2 3.95Å; L44-L362 HydrophobicContact CD1-CG 4.44Å; L47-L362 HydrophobicContact CD1-CD2 4.08Å; F354-L362 HydrophobicContact CD1-CD1 3.75Å; F354-L362 HydrophobicContact CE1-CD1 3.89Å; A357-L362 HydrophobicContact CB-CG 4.27Å; S358-L362 PolarHBondContact O-N 2.69Å; M359-L362 PolarHBondContact O-N 2.78Å; M359-L362 HydrophobicContact SD-CD1 4Å; L362-K365 PolarHBondContact O-N 3.19Å; L362-S366 WeakPolarHBondContact O-CB 3.48Å; L362-S366 PolarHBondContact O-N 2.91Å; L362-P444 HydrophobicContact CB-CB 4.46Å; L362-P444 HydrophobicContact CB-CG 3.94Å; L362-P444 HydrophobicContact CD2-CB 4.1Å; L362-P444 HydrophobicContact CD2-CG 3.97Å; L362-P444 WeakPolarHBondContact O-CB 3.31Å; L362-P444 WeakPolarHBondContact O-CG 3.39Å; L362-L445 HydrophobicContact CD1-CD2 4.34Å; L362-L445 HydrophobicContact CD2-CD2 3.65Å; L362-L445 HydrophobicContact CD2-CG 4.01Å
363R98Very high98.3Very high21 Ų2130.1 Ų30.18%0.07916%0.158CC..Hα-helixtrans-63.5-43178.7-179.755.6-176.2157.1-0.6111.8M359 Q360 S361 K365 S366 V367 P401 R404M359-R363 WeakPolarHBondContact O-CB 3.43Å; M359-R363 PolarHBondContact O-N 3.42Å; Q360-R363 PolarHBondContact O-N 2.71Å; S361-R363 VanDerWaalsContact C-N 3.32Å; S361-R363 PolarHBondContact O-N 3.4Å; R363-K365 PolarHBondContact O-N 3.14Å; R363-S366 WeakPolarHBondContact O-CB 3.42Å; R363-S366 PolarHBondContact O-N 2.65Å; R363-V367 WeakPolarHBondContact O-CG2 3.33Å; R363-V367 PolarHBondContact O-N 2.95Å; R363-P401 PolarHBondContact NH2-O 2.8Å; R363-R404 VanDerWaalsContact CZ-O 3.32Å; R363-R404 PolarHBondContact NH1-O 3.16Å; R363-R404 VanDerWaalsContact NH1-O 3.13Å; R363-R404 PolarHBondContact NH2-O 2.85Å
364R97.5Very high98.3Very high83 Ų8330.9 Ų30.931%0.31316%0.161SC..Hα-helixtrans-58-46.9175.1-173.8177176.4-173.2-5.9111.8D7 F10 D11 Q360 S361 V367 L368D7-R364 PolarHBondContact O-NH2 3.17Å; F10-R364 VanDerWaalsContact C-NE 3.33Å; F10-R364 VanDerWaalsContact C-NH2 3.27Å; F10-R364 HydrophobicContact CB-CG 4.3Å; F10-R364 VanDerWaalsContact CB-NE 3.35Å; F10-R364 VanDerWaalsContact CB-NH2 3.35Å; F10-R364 WeakPolarHBondContact O-CG 3.38Å; F10-R364 PolarHBondContact O-NE 2.98Å; D11-R364 VanDerWaalsContact N-NH2 3.15Å; D11-R364 IonicContact OD1-CZ 3.85Å; D11-R364 IonicContact OD1-NE 3.96Å; D11-R364 PolarHBondContact OD1-NE 3.19Å; D11-R364 IonicContact OD1-NH1 3.81Å; D11-R364 PolarHBondContact OD1-NH1 3.06Å; D11-R364 IonicContact OD1-NH2 3.52Å; D11-R364 PolarHBondContact OD1-NH2 3.36Å; D11-R364 IonicContact OD2-CZ 3.51Å; D11-R364 VanDerWaalsContact OD2-CZ 3.23Å; D11-R364 IonicContact OD2-NH1 3.41Å; D11-R364 PolarHBondContact OD2-NH1 2.63Å; D11-R364 IonicContact OD2-NH2 2.85Å; D11-R364 PolarHBondContact OD2-NH2 3.15Å; Q360-R364 WeakPolarHBondContact O-CB 3.43Å; Q360-R364 PolarHBondContact O-N 2.77Å; S361-R364 PolarHBondContact O-N 3.4Å; R364-V367 PolarHBondContact O-N 3.35Å; R364-L368 PolarHBondContact O-N 2.71Å
365K98.4Very high98.3Very high7 Ų731.3 Ų31.33%0.0316%0.163CC..Hα-helixtrans-61.2-46.1173.2178177173.4-177.80111.6D42 L44 S361 L362 R363 V367 L368 L369 P444 N447D42-K365 WeakPolarHBondContact OD2-CD 3.35Å; D42-K365 WeakPolarHBondContact OD2-CE 3.49Å; D42-K365 IonicContact OD2-NZ 3.64Å; D42-K365 PolarHBondContact OD2-NZ 2.83Å; L44-K365 HydrophobicContact CB-CD 4.19Å; L44-K365 HydrophobicContact CD1-CB 4.11Å; L44-K365 HydrophobicContact CD1-CD 4.24Å; S361-K365 PolarHBondContact O-N 2.76Å; S361-K365 VanDerWaalsContact O-N 3.09Å; L362-K365 PolarHBondContact O-N 3.19Å; R363-K365 PolarHBondContact O-N 3.14Å; K365-V367 PolarHBondContact O-N 3.43Å; K365-L368 PolarHBondContact O-N 2.93Å; K365-L369 WeakPolarHBondContact O-CB 3.39Å; K365-L369 PolarHBondContact O-N 3.13Å; K365-P444 HydrophobicContact CB-CB 3.9Å; K365-P444 HydrophobicContact CD-CB 3.71Å; K365-P444 WeakPolarHBondContact CD-O 3.29Å; K365-P444 WeakPolarHBondContact CE-O 3.33Å; K365-P444 HydrophobicContact CG-CB 3.82Å; K365-P444 PolarHBondContact NZ-O 2.94Å; K365-N447 WeakPolarHBondContact CE-O 3.49Å; K365-N447 PolarHBondContact NZ-O 3.14Å
366S98.6Very high98.3Very high0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-57.2-44.1178.8170.90000112.6L362 R363 L368 L369 T370 C406L362-S366 WeakPolarHBondContact O-CB 3.48Å; L362-S366 PolarHBondContact O-N 2.91Å; R363-S366 WeakPolarHBondContact O-CB 3.42Å; R363-S366 PolarHBondContact O-N 2.65Å; S366-L368 VanDerWaalsContact C-N 3.34Å; S366-L368 PolarHBondContact O-N 3.46Å; S366-L369 PolarHBondContact O-N 3.4Å; S366-T370 VanDerWaalsContact O-CB 3.32Å; S366-T370 WeakPolarHBondContact O-CB 3.29Å; S366-T370 PolarHBondContact O-N 3.49Å; S366-T370 PolarHBondContact O-OG1 3.39Å; S366-C406 PolarHBondContact OG-SG 3.38Å
367V98.6Very high98.3Very high36 Ų3623.1 Ų23.122%0.21812%0.12CC..Hα-helixtrans-57.5-47.9177.7166.70000111P14 R363 R364 K365 G371 P401P14-V367 HydrophobicContact CG-CG1 4.15Å; P14-V367 WeakPolarHBondContact CG-O 3.47Å; R363-V367 WeakPolarHBondContact O-CG2 3.33Å; R363-V367 PolarHBondContact O-N 2.95Å; R364-V367 PolarHBondContact O-N 3.35Å; K365-V367 PolarHBondContact O-N 3.43Å; V367-G371 WeakPolarHBondContact O-CA 3.19Å; V367-G371 PolarHBondContact O-N 3.3Å; V367-P401 HydrophobicContact CG1-CB 4.01Å
368L98.7Very high98.3Very high2 Ų226.6 Ų26.61%0.0113%0.131CC..Hα-helixtrans-71.4-42.7178.8-174.559.1000112.2F10 P14 A17 F38 R364 K365 S366 G371 Y372 F449F10-L368 HydrophobicContact CB-CD2 4.45Å; F10-L368 HydrophobicContact CD1-CB 4.32Å; F10-L368 HydrophobicContact CD1-CD2 3.42Å; F10-L368 VanDerWaalsContact CD1-CD2 3.42Å; F10-L368 HydrophobicContact CD1-CG 4.49Å; F10-L368 HydrophobicContact CD2-CD2 4.13Å; F10-L368 HydrophobicContact CE1-CD2 3.58Å; F10-L368 HydrophobicContact CE2-CD2 4.24Å; F10-L368 HydrophobicContact CG-CD2 3.72Å; F10-L368 HydrophobicContact CZ-CD2 3.98Å; P14-L368 HydrophobicContact CB-CD1 4.16Å; A17-L368 HydrophobicContact CB-CD1 3.53Å; F38-L368 HydrophobicContact CD1-CD2 3.96Å; F38-L368 HydrophobicContact CE1-CD2 3.85Å; F38-L368 HydrophobicContact CZ-CD1 4.33Å; F38-L368 HydrophobicContact CZ-CD2 4.4Å; R364-L368 PolarHBondContact O-N 2.71Å; K365-L368 PolarHBondContact O-N 2.93Å; S366-L368 VanDerWaalsContact C-N 3.34Å; S366-L368 PolarHBondContact O-N 3.46Å; L368-G371 CarbonylContact O-C 3.51Å; L368-G371 PolarHBondContact O-N 3.41Å; L368-Y372 VanDerWaalsContact O-CB 3.31Å; L368-Y372 WeakPolarHBondContact O-CB 3.32Å; L368-Y372 PolarHBondContact O-N 3.38Å; L368-F449 HydrophobicContact CB-CE1 4.36Å; L368-F449 HydrophobicContact CB-CZ 4.24Å; L368-F449 HydrophobicContact CD2-CE1 4.2Å; L368-F449 HydrophobicContact CD2-CZ 3.94Å; L368-F449 HydrophobicContact CG-CE1 3.8Å; L368-F449 HydrophobicContact CG-CZ 3.91Å
369L98.8Very high98.3Very high0 Ų028.9 Ų28.90%014%0.135CC..Hα-helixtrans-64.8-50.8-177.9-175.963000112.3K365 S366 G371 Y372 L373 P442 N447 F449 V452K365-L369 WeakPolarHBondContact O-CB 3.39Å; K365-L369 PolarHBondContact O-N 3.13Å; S366-L369 PolarHBondContact O-N 3.4Å; L369-G371 VanDerWaalsContact C-N 3.32Å; L369-Y372 PolarHBondContact O-N 2.96Å; L369-L373 PolarHBondContact O-N 2.94Å; L369-L373 VanDerWaalsContact O-N 3.11Å; L369-P442 HydrophobicContact CD2-CB 3.83Å; L369-P442 HydrophobicContact CG-CB 3.92Å; L369-P442 HydrophobicContact CG-CG 4.3Å; L369-N447 HydrophobicContact CD2-CB 4.19Å; L369-F449 VanDerWaalsContact CA-CE1 3.5Å; L369-F449 HydrophobicContact CB-CE1 4.03Å; L369-F449 HydrophobicContact CB-CZ 4.14Å; L369-F449 HydrophobicContact CD1-CB 4.38Å; L369-F449 HydrophobicContact CD1-CD1 3.65Å; L369-F449 HydrophobicContact CD1-CD2 4.2Å; L369-F449 HydrophobicContact CD1-CE1 3.87Å; L369-F449 HydrophobicContact CD1-CE2 4.4Å; L369-F449 HydrophobicContact CD1-CG 3.83Å; L369-F449 HydrophobicContact CD1-CZ 4.25Å; L369-V452 HydrophobicContact CD1-CG2 3.63Å; L369-V452 HydrophobicContact CG-CG2 4.18Å
370T98.9Very high98.2Very high0 Ų031.9 Ų31.90%015%0.146CC..Hα-helixtrans-69-33.7175.3-56.60000111.2S366 L373 E374 R404 C406 L408S366-T370 VanDerWaalsContact O-CB 3.32Å; S366-T370 WeakPolarHBondContact O-CB 3.29Å; S366-T370 PolarHBondContact O-N 3.49Å; S366-T370 PolarHBondContact O-OG1 3.39Å; T370-L373 WeakPolarHBondContact O-CB 3.49Å; T370-L373 PolarHBondContact O-N 3.42Å; T370-E374 WeakPolarHBondContact O-CB 3.36Å; T370-E374 PolarHBondContact O-N 3.01Å; T370-R404 VanDerWaalsContact CG2-NH1 3.3Å; T370-C406 VanDerWaalsContact CG2-O 3.27Å; T370-C406 WeakPolarHBondContact CG2-O 3.36Å; T370-C406 WeakPolarHBondContact OG1-CA 3.31Å; T370-C406 PolarHBondContact OG1-O 2.9Å; T370-L408 HydrophobicContact CG2-CD1 4.13Å; T370-L408 HydrophobicContact CG2-CD2 3.76Å; T370-L408 HydrophobicContact CG2-CG 3.65Å
371G98.8Very high98.1Very high1 Ų125.8 Ų25.81%0.0112%0.117CC..Hα-helixtrans-67.8-33.3173.900000113.6V367 L368 L369 E374 Y375V367-G371 WeakPolarHBondContact O-CA 3.19Å; V367-G371 PolarHBondContact O-N 3.3Å; L368-G371 CarbonylContact O-C 3.51Å; L368-G371 PolarHBondContact O-N 3.41Å; L369-G371 VanDerWaalsContact C-N 3.32Å; G371-E374 PolarHBondContact O-N 3.37Å; G371-Y375 WeakPolarHBondContact O-CB 3.48Å; G371-Y375 PolarHBondContact O-N 3.14Å
372Y98.8Very high98Very high0 Ų027.7 Ų27.70%013%0.127CC..Hα-helixtrans-66.8-43.2172.1179.3-123.6000111.1V18 V34 A35 F38 L368 L369 E374 Y375 L376 F449 V452 H453V18-Y372 HydrophobicContact CG2-CD2 3.61Å; V18-Y372 HydrophobicContact CG2-CE2 4.24Å; V34-Y372 HydrophobicContact CG1-CE2 4.15Å; A35-Y372 HydrophobicContact CB-CE1 3.99Å; F38-Y372 HydrophobicContact CE2-CD2 4.18Å; F38-Y372 HydrophobicContact CE2-CE2 4.45Å; L368-Y372 VanDerWaalsContact O-CB 3.31Å; L368-Y372 WeakPolarHBondContact O-CB 3.32Å; L368-Y372 PolarHBondContact O-N 3.38Å; L369-Y372 PolarHBondContact O-N 2.96Å; Y372-E374 PolarHBondContact O-N 3.48Å; Y372-Y375 WeakPolarHBondContact O-CB 3.33Å; Y372-Y375 PolarHBondContact O-N 3.34Å; Y372-L376 HydrophobicContact CD1-CD1 4.33Å; Y372-L376 HydrophobicContact CD2-CD1 4.48Å; Y372-L376 HydrophobicContact CD2-CG 4.3Å; Y372-L376 HydrophobicContact CE1-CD1 3.74Å; Y372-L376 HydrophobicContact CE2-CD1 3.95Å; Y372-L376 HydrophobicContact CE2-CD2 4.08Å; Y372-L376 HydrophobicContact CE2-CG 3.94Å; Y372-L376 WeakPolarHBondContact O-CG 3.42Å; Y372-L376 PolarHBondContact O-N 3.1Å; Y372-F449 HydrophobicContact CD1-CB 4.43Å; Y372-F449 AromaticContact CD1-CD1 3.87Å; Y372-F449 HydrophobicContact CD1-CD1 3.87Å; Y372-F449 HydrophobicContact CE1-CB 4.48Å; Y372-F449 HydrophobicContact CG-CD1 4.23Å; Y372-V452 HydrophobicContact CD1-CB 4.04Å; Y372-V452 HydrophobicContact CD1-CG1 3.55Å; Y372-V452 HydrophobicContact CE1-CB 4.37Å; Y372-V452 HydrophobicContact CE1-CG1 3.98Å; Y372-V452 HydrophobicContact CG-CG1 4.43Å; Y372-H453 PolarHBondContact OH-CD2 2.98Å
373L98.9Very high97.7Very high0 Ų033.2 Ų33.20%015%0.153CC..Hα-helixtrans-57.1-50171.6174.665000111.3L369 T370 Y375 L376 I377 L408 I440 P442 V452 F455 I456L369-L373 PolarHBondContact O-N 2.94Å; L369-L373 VanDerWaalsContact O-N 3.11Å; T370-L373 WeakPolarHBondContact O-CB 3.49Å; T370-L373 PolarHBondContact O-N 3.42Å; L373-Y375 VanDerWaalsContact C-N 3.32Å; L373-Y375 PolarHBondContact O-N 2.87Å; L373-L376 PolarHBondContact O-N 3.47Å; L373-I377 HydrophobicContact CD1-CD1 3.95Å; L373-I377 HydrophobicContact CD1-CG1 4.28Å; L373-I377 HydrophobicContact CG-CD1 3.97Å; L373-I377 WeakPolarHBondContact O-CG1 3.47Å; L373-I377 PolarHBondContact O-N 2.9Å; L373-L408 HydrophobicContact CB-CD1 4.41Å; L373-L408 HydrophobicContact CD2-CD1 3.81Å; L373-L408 HydrophobicContact CD2-CG 4.34Å; L373-L408 HydrophobicContact CG-CD1 3.9Å; L373-I440 HydrophobicContact CD2-CB 4.42Å; L373-I440 HydrophobicContact CD2-CG2 3.69Å; L373-P442 HydrophobicContact CD2-CG 4.06Å; L373-V452 HydrophobicContact CB-CG1 3.67Å; L373-V452 HydrophobicContact CB-CG2 4.35Å; L373-V452 HydrophobicContact CD1-CG1 3.97Å; L373-V452 HydrophobicContact CG-CG1 4.44Å; L373-F455 HydrophobicContact CD1-CD1 3.56Å; L373-F455 HydrophobicContact CD1-CE1 3.78Å; L373-I456 HydrophobicContact CD1-CD1 4Å; L373-I456 HydrophobicContact CD1-CG1 4.32Å
374E98.8Very high97.4Very high19 Ų1935 Ų359%0.08916%0.164CC..Hα-helixtrans-57.5-44176.5176.4177.4-162.500112T370 G371 Y372 I377 K378 I395 R404 L408T370-E374 WeakPolarHBondContact O-CB 3.36Å; T370-E374 PolarHBondContact O-N 3.01Å; G371-E374 PolarHBondContact O-N 3.37Å; Y372-E374 PolarHBondContact O-N 3.48Å; E374-I377 PolarHBondContact O-N 3.1Å; E374-K378 HydrophobicContact CG-CD 4.08Å; E374-K378 WeakPolarHBondContact O-CG 3.47Å; E374-K378 PolarHBondContact O-N 3.45Å; E374-K378 IonicContact OE1-NZ 3.8Å; E374-K378 PolarHBondContact OE1-NZ 3.08Å; E374-I395 HydrophobicContact CB-CD1 4.46Å; E374-I395 HydrophobicContact CG-CD1 3.91Å; E374-R404 IonicContact OE2-CZ 3.77Å; E374-R404 IonicContact OE2-NE 3.25Å; E374-R404 IonicContact OE2-NH2 2.83Å; E374-R404 PolarHBondContact OE2-NH2 3.13Å; E374-L408 HydrophobicContact CB-CD1 3.95Å
375Y98.7Very high97Very high16 Ų1636.6 Ų36.66%0.06319%0.185CC..Hα-helixtrans-58.5-52.2178.1-178.4-94000111.1T15 V18 P29 G371 Y372 L373 I377 K378 E379T15-Y375 HydrophobicContact CG2-CD2 4.03Å; T15-Y375 HydrophobicContact CG2-CE2 3.93Å; V18-Y375 HydrophobicContact CB-CD1 4.42Å; V18-Y375 HydrophobicContact CG1-CD1 3.74Å; V18-Y375 HydrophobicContact CG1-CE1 3.56Å; V18-Y375 HydrophobicContact CG1-CG 4.35Å; V18-Y375 HydrophobicContact CG2-CD1 4.4Å; V18-Y375 HydrophobicContact CG2-CG 4.44Å; P29-Y375 HydrophobicContact CB-CE1 3.71Å; P29-Y375 VanDerWaalsContact CB-OH 3.3Å; P29-Y375 WeakPolarHBondContact CB-OH 3.5Å; G371-Y375 WeakPolarHBondContact O-CB 3.48Å; G371-Y375 PolarHBondContact O-N 3.14Å; Y372-Y375 WeakPolarHBondContact O-CB 3.33Å; Y372-Y375 PolarHBondContact O-N 3.34Å; L373-Y375 VanDerWaalsContact C-N 3.32Å; L373-Y375 PolarHBondContact O-N 2.87Å; Y375-I377 PolarHBondContact O-N 3.42Å; Y375-K378 PolarHBondContact O-N 3.26Å; Y375-E379 HydrophobicContact CD1-CG 4.12Å; Y375-E379 HydrophobicContact CE1-CG 3.64Å; Y375-E379 HydrophobicContact CE2-CG 4.23Å; Y375-E379 WeakPolarHBondContact CE2-OE1 3.32Å; Y375-E379 WeakPolarHBondContact O-CG 3.43Å; Y375-E379 PolarHBondContact O-N 3.45Å; Y375-E379 PolarHBondContact OH-OE1 2.7Å
376L98.7Very high96.8Very high0 Ų040.3 Ų40.30%022%0.216CC..Hα-helixtrans-64.5-38.7-179.8-66.9-177.9000112.8T30 Y372 L373 K378 E379 Y380 V452 I456T30-L376 HydrophobicContact CG2-CD2 3.97Å; Y372-L376 HydrophobicContact CD1-CD1 4.33Å; Y372-L376 HydrophobicContact CD2-CD1 4.48Å; Y372-L376 HydrophobicContact CD2-CG 4.3Å; Y372-L376 HydrophobicContact CE1-CD1 3.74Å; Y372-L376 HydrophobicContact CE2-CD1 3.95Å; Y372-L376 HydrophobicContact CE2-CD2 4.08Å; Y372-L376 HydrophobicContact CE2-CG 3.94Å; Y372-L376 WeakPolarHBondContact O-CG 3.42Å; Y372-L376 PolarHBondContact O-N 3.1Å; L373-L376 PolarHBondContact O-N 3.47Å; L376-K378 VanDerWaalsContact C-N 3.31Å; L376-K378 PolarHBondContact O-N 3.45Å; L376-E379 PolarHBondContact O-N 2.68Å; L376-Y380 HydrophobicContact CD2-CE2 4.32Å; L376-Y380 WeakPolarHBondContact O-CD2 3.46Å; L376-Y380 PolarHBondContact O-N 2.89Å; L376-Y380 VanDerWaalsContact O-N 3.09Å; L376-V452 HydrophobicContact CD1-CG1 4.33Å; L376-I456 HydrophobicContact CB-CB 4.47Å; L376-I456 HydrophobicContact CB-CD1 3.78Å; L376-I456 HydrophobicContact CB-CG1 3.68Å; L376-I456 HydrophobicContact CB-CG2 4.19Å; L376-I456 HydrophobicContact CD1-CB 4.21Å; L376-I456 HydrophobicContact CD1-CG1 3.73Å; L376-I456 HydrophobicContact CD1-CG2 4.39Å; L376-I456 HydrophobicContact CG-CG1 4.38Å
377I98.4Very high96.3Very high2 Ų245 Ų451%0.0124%0.238CC..Hα-helixtrans-59.9-45.6174.7-69.2171.5000110.2L373 E374 Y375 Y380 Y381 V393 I395 L408 L410 I456L373-I377 HydrophobicContact CD1-CD1 3.95Å; L373-I377 HydrophobicContact CD1-CG1 4.28Å; L373-I377 HydrophobicContact CG-CD1 3.97Å; L373-I377 WeakPolarHBondContact O-CG1 3.47Å; L373-I377 PolarHBondContact O-N 2.9Å; E374-I377 PolarHBondContact O-N 3.1Å; Y375-I377 PolarHBondContact O-N 3.42Å; I377-Y380 PolarHBondContact O-N 3.36Å; I377-Y381 WeakPolarHBondContact O-CA 3.2Å; I377-Y381 PolarHBondContact O-N 3.49Å; I377-V393 HydrophobicContact CG2-CB 4.07Å; I377-V393 HydrophobicContact CG2-CG1 3.94Å; I377-I395 HydrophobicContact CB-CD1 4.39Å; I377-I395 HydrophobicContact CG2-CD1 4.06Å; I377-I395 HydrophobicContact CG2-CG1 4.22Å; I377-L408 HydrophobicContact CD1-CD1 4.38Å; I377-L410 HydrophobicContact CD1-CD1 3.9Å; I377-L410 HydrophobicContact CD1-CD2 3.84Å; I377-I456 HydrophobicContact CG1-CD1 3.66Å
378K97.4Very high95.7Very high99 Ų9948.1 Ų48.143%0.4326%0.26SS..Hα-helixtrans-65.9-40.2-178.7-77.2174.1170.2169.20112.6E374 Y375 L376 T382E374-K378 HydrophobicContact CG-CD 4.08Å; E374-K378 WeakPolarHBondContact O-CG 3.47Å; E374-K378 PolarHBondContact O-N 3.45Å; E374-K378 IonicContact OE1-NZ 3.8Å; E374-K378 PolarHBondContact OE1-NZ 3.08Å; Y375-K378 PolarHBondContact O-N 3.26Å; L376-K378 VanDerWaalsContact C-N 3.31Å; L376-K378 PolarHBondContact O-N 3.45Å; K378-T382 VanDerWaalsContact CA-OG1 3.3Å; K378-T382 WeakPolarHBondContact CA-OG1 3.32Å; K378-T382 WeakPolarHBondContact O-CB 3.47Å; K378-T382 PolarHBondContact O-OG1 2.75Å
379E96.3Very high95.1Very high104 Ų10456.8 Ų56.849%0.48630%0.299SS..Hα-helixtrans-66.3-40.1177.9-68.9-67.4165.200112.4T30 Y375 L376T30-E379 HydrophobicContact CG2-CB 4.06Å; T30-E379 HydrophobicContact CG2-CG 4.23Å; Y375-E379 HydrophobicContact CD1-CG 4.12Å; Y375-E379 HydrophobicContact CE1-CG 3.64Å; Y375-E379 HydrophobicContact CE2-CG 4.23Å; Y375-E379 WeakPolarHBondContact CE2-OE1 3.32Å; Y375-E379 WeakPolarHBondContact O-CG 3.43Å; Y375-E379 PolarHBondContact O-N 3.45Å; Y375-E379 PolarHBondContact OH-OE1 2.7Å; L376-E379 PolarHBondContact O-N 2.68Å
380Y95.8Very high94.7Very high89 Ų8960.9 Ų60.935%0.34932%0.317SS..Hα-helixtrans-96.5-33.9-172.3-74.7-64.7000115.4T30 L376 I377 K390 I456T30-Y380 WeakPolarHBondContact CB-OH 3.02Å; T30-Y380 HydrophobicContact CG2-CE2 3.67Å; T30-Y380 PolarHBondContact OG1-OH 3.1Å; L376-Y380 HydrophobicContact CD2-CE2 4.32Å; L376-Y380 WeakPolarHBondContact O-CD2 3.46Å; L376-Y380 PolarHBondContact O-N 2.89Å; L376-Y380 VanDerWaalsContact O-N 3.09Å; I377-Y380 PolarHBondContact O-N 3.36Å; Y380-K390 WeakPolarHBondContact O-CE 3.3Å; Y380-K390 PolarHBondContact O-NZ 3.29Å; Y380-I456 HydrophobicContact CD2-CG2 3.87Å; Y380-I456 HydrophobicContact CE2-CG2 4.21Å
381Y96.1Very high94.4Very high24 Ų2461.4 Ų61.49%0.09432%0.322CS..Hα-helixtrans-129.916.8-161.4-50.7-60.4000114I377 Y392 V393 I456 L459 G460 L463I377-Y381 WeakPolarHBondContact O-CA 3.2Å; I377-Y381 PolarHBondContact O-N 3.49Å; Y381-Y392 CarbonylContact O-C 3.38Å; Y381-Y392 VanDerWaalsContact O-CA 3.31Å; Y381-Y392 WeakPolarHBondContact O-CA 3.48Å; Y381-Y392 WeakPolarHBondContact O-CB 3.36Å; Y381-V393 HydrophobicContact CG-CG2 4.33Å; Y381-V393 PolarHBondContact O-N 2.99Å; Y381-I456 HydrophobicContact CE2-CD1 4.32Å; Y381-I456 HydrophobicContact CE2-CG2 4.17Å; Y381-I456 PolarHBondContact OH-O 3.12Å; Y381-L459 HydrophobicContact CD2-CD2 3.93Å; Y381-L459 HydrophobicContact CE2-CB 4.49Å; Y381-L459 HydrophobicContact CE2-CD2 3.8Å; Y381-L459 HydrophobicContact CE2-CG 4.16Å; Y381-G460 WeakPolarHBondContact OH-CA 3.42Å; Y381-G460 PolarHBondContact OH-N 3.36Å; Y381-G460 VanDerWaalsContact OH-N 3.08Å; Y381-L463 HydrophobicContact CD1-CD1 3.69Å; Y381-L463 HydrophobicContact CE1-CD1 3.84Å; Y381-L463 HydrophobicContact CG-CD1 4.24Å
382T94.3Very high94.3Very high74 Ų7465.1 Ų65.145%0.45434%0.336SS..SBendtrans-68.9151.1166.9-58.50000110.3K378 D384K378-T382 VanDerWaalsContact CA-OG1 3.3Å; K378-T382 WeakPolarHBondContact CA-OG1 3.32Å; K378-T382 WeakPolarHBondContact O-CB 3.47Å; K378-T382 PolarHBondContact O-OG1 2.75Å; T382-D384 PolarHBondContact O-N 3.39Å
383E93.5Very high94.2Very high121 Ų12165.5 Ų65.557%0.56534%0.338SS*.  trans-56.6128.1172.3-175.1175.7-155.100110.8Y392E383-Y392 HydrophobicContact CB-CD1 4.16Å; E383-Y392 HydrophobicContact CB-CD2 4.06Å; E383-Y392 HydrophobicContact CB-CE2 4.44Å; E383-Y392 HydrophobicContact CB-CG 3.92Å; E383-Y392 HydrophobicContact CG-CD1 4.08Å; E383-Y392 HydrophobicContact CG-CE1 4.13Å; E383-Y392 HydrophobicContact CG-CG 4.36Å
384D90.8Very high94.1Very high58 Ų5871 Ų7131%0.3136%0.359SS..  trans-119.9108.8176.4179.22000108.6T382 A386 Q387T382-D384 PolarHBondContact O-N 3.39Å; D384-A386 PolarHBondContact O-N 3.5Å; D384-A386 VanDerWaalsContact O-N 3.11Å; D384-A386 VanDerWaalsContact OD1-CB 3.29Å; D384-A386 WeakPolarHBondContact OD1-CB 3.37Å; D384-A386 PolarHBondContact OD1-N 3Å; D384-Q387 HydrophobicContact CB-CB 4.3Å; D384-Q387 CarbonylContact O-C 3.6Å; D384-Q387 VanDerWaalsContact O-C 3.3Å; D384-Q387 PolarHBondContact O-N 2.92Å; D384-Q387 PolarHBondContact OD2-NE2 2.75Å
385P90.4Very high94Very high117 Ų11771.8 Ų71.876%0.7636%0.363SS*.THydrogen-bonded Turntrans-57.7-23177.2-25.735.1000114Q387P385-Q387 VanDerWaalsContact C-N 3.28Å
386A92.9Very high94Very high84 Ų8471.6 Ų71.669%0.69436%0.363SS*.THydrogen-bonded Turntrans-77.3-13.517500000113D384D384-A386 PolarHBondContact O-N 3.5Å; D384-A386 VanDerWaalsContact O-N 3.11Å; D384-A386 VanDerWaalsContact OD1-CB 3.29Å; D384-A386 WeakPolarHBondContact OD1-CB 3.37Å; D384-A386 PolarHBondContact OD1-N 3Å
387Q88.7Confident94Very high99 Ų9971.9 Ų71.946%0.46337%0.365SS..  trans-131.765.6-179.4-65.4178.76700111.5D384 P385 H389 K390D384-Q387 HydrophobicContact CB-CB 4.3Å; D384-Q387 CarbonylContact O-C 3.6Å; D384-Q387 VanDerWaalsContact O-C 3.3Å; D384-Q387 PolarHBondContact O-N 2.92Å; D384-Q387 PolarHBondContact OD2-NE2 2.75Å; P385-Q387 VanDerWaalsContact C-N 3.28Å; Q387-H389 PolarHBondContact O-N 2.94Å; Q387-K390 HydrophobicContact CB-CB 3.97Å; Q387-K390 WeakPolarHBondContact O-CB 3.23Å; Q387-K390 PolarHBondContact O-N 2.86Å
388P85.6Confident94Very high102 Ų10272.5 Ų72.566%0.66237%0.369SS*.THydrogen-bonded Turntrans-64-17.7-171.726.8-36.5000114.5
389H86.7Confident94Very high183 Ų18371.6 Ų71.685%0.84738%0.376SS*.THydrogen-bonded Turntrans-90.8-8.6177.4-57.5-57.8000113.5Q387 A391Q387-H389 PolarHBondContact O-N 2.94Å; H389-A391 PolarHBondContact O-N 3.05Å
390K90Very high94.1Very high86 Ų8668.4 Ų68.437%0.37436%0.362SS..SBendtrans-76.7124.9178.7-174.1-180171.5-167.10109Y380 Q387 Y392Y380-K390 WeakPolarHBondContact O-CE 3.3Å; Y380-K390 PolarHBondContact O-NZ 3.29Å; Q387-K390 HydrophobicContact CB-CB 3.97Å; Q387-K390 WeakPolarHBondContact O-CB 3.23Å; Q387-K390 PolarHBondContact O-N 2.86Å; K390-Y392 PolarHBondContact O-N 3.32Å
391A93.9Very high94.1Very high11 Ų1165.7 Ų65.79%0.09136%0.355CS..  trans-59.6135.5173.800000110.2H389 S413 I414 L463H389-A391 PolarHBondContact O-N 3.05Å; A391-S413 WeakPolarHBondContact CA-OG 3.47Å; A391-I414 HydrophobicContact CB-CD1 3.98Å; A391-I414 HydrophobicContact CB-CG1 4.31Å; A391-I414 HydrophobicContact CB-CG2 4.03Å; A391-L463 HydrophobicContact CB-CB 4.5Å; A391-L463 HydrophobicContact CB-CD2 4.26Å
392Y94.9Very high94.2Very high79 Ų7973.8 Ų73.831%0.3139%0.386SS..  trans-127161-179.367.6-98.7000111.2Y381 E383 K390 S413Y381-Y392 CarbonylContact O-C 3.38Å; Y381-Y392 VanDerWaalsContact O-CA 3.31Å; Y381-Y392 WeakPolarHBondContact O-CA 3.48Å; Y381-Y392 WeakPolarHBondContact O-CB 3.36Å; E383-Y392 HydrophobicContact CB-CD1 4.16Å; E383-Y392 HydrophobicContact CB-CD2 4.06Å; E383-Y392 HydrophobicContact CB-CE2 4.44Å; E383-Y392 HydrophobicContact CB-CG 3.92Å; E383-Y392 HydrophobicContact CG-CD1 4.08Å; E383-Y392 HydrophobicContact CG-CE1 4.13Å; E383-Y392 HydrophobicContact CG-CG 4.36Å; K390-Y392 PolarHBondContact O-N 3.32Å; Y392-S413 VanDerWaalsContact CD1-CB 3.41Å; Y392-S413 WeakPolarHBondContact CD1-OG 3.26Å; Y392-S413 VanDerWaalsContact CZ-CB 3.45Å; Y392-S413 PolarHBondContact N-OG 2.92Å; Y392-S413 PolarHBondContact O-N 2.85Å
393V97.1Very high94.4Very high9 Ų974 Ų746%0.05538%0.382CS..EExtended strand (participates in β ladder)trans-121.6128.3-174.9-177.50000109I377 Y381 L410 S411 F412 L463I377-V393 HydrophobicContact CG2-CB 4.07Å; I377-V393 HydrophobicContact CG2-CG1 3.94Å; Y381-V393 HydrophobicContact CG-CG2 4.33Å; Y381-V393 PolarHBondContact O-N 2.99Å; V393-L410 HydrophobicContact CG1-CB 3.97Å; V393-L410 HydrophobicContact CG1-CD1 4.29Å; V393-L410 HydrophobicContact CG1-CD2 4.09Å; V393-L410 HydrophobicContact CG1-CG 4.34Å; V393-S411 CarbonylContact C-O 3.49Å; V393-S411 WeakPolarHBondContact CA-O 3.3Å; V393-F412 HydrophobicContact CG1-CE1 4.23Å; V393-F412 HydrophobicContact CG2-CD1 3.72Å; V393-F412 HydrophobicContact CG2-CE1 3.61Å; V393-L463 HydrophobicContact CG2-CD1 4.39Å
394R96.7Very high94.6Very high115 Ų11568.3 Ų68.343%0.43436%0.355SS..EExtended strand (participates in β ladder)trans-109.4125.9172.7-179.9-177.780.6117.36.7109.7D202 S411D202-R394 IonicContact OD1-NH2 2.66Å; D202-R394 PolarHBondContact OD1-NH2 2.65Å; D202-R394 IonicContact OD2-CZ 3.26Å; D202-R394 IonicContact OD2-NH1 3.97Å; D202-R394 PolarHBondContact OD2-NH1 2.7Å; D202-R394 IonicContact OD2-NH2 3.15Å; D202-R394 PolarHBondContact OD2-NH2 2.54Å; R394-S411 WeakPolarHBondContact CB-OG 3.36Å; R394-S411 PolarHBondContact N-O 3.45Å; R394-S411 PolarHBondContact NE-OG 3.2Å; R394-S411 PolarHBondContact O-N 2.8Å; R394-S411 PolarHBondContact O-OG 2.89Å
395I98.1Very high95Very high35 Ų3565.5 Ų65.518%0.17934%0.34CS..EExtended strand (participates in β ladder)trans-86.3118.6175.7-54.7174.3000108.2E374 I377 L408 L410E374-I395 HydrophobicContact CB-CD1 4.46Å; E374-I395 HydrophobicContact CG-CD1 3.91Å; I377-I395 HydrophobicContact CB-CD1 4.39Å; I377-I395 HydrophobicContact CG2-CD1 4.06Å; I377-I395 HydrophobicContact CG2-CG1 4.22Å; I395-L408 HydrophobicContact CD1-CD1 4.49Å; I395-L408 HydrophobicContact CG2-CD2 4.17Å; I395-L410 HydrophobicContact CB-CD2 4.41Å; I395-L410 HydrophobicContact CG1-CD2 3.77Å; I395-L410 HydrophobicContact CG2-CD2 4.49Å
396L97.7Very high95.4Very high12 Ų1260 Ų606%0.06330%0.304CS..  trans-81.8-30.6175.6-80.467.8000111.8D202 Y231 S409 S411 V437D202-L396 HydrophobicContact CB-CB 4.31Å; D202-L396 HydrophobicContact CB-CD2 4.09Å; D202-L396 HydrophobicContact CB-CG 4.05Å; Y231-L396 HydrophobicContact CE1-CD2 4.11Å; L396-S409 PolarHBondContact N-O 2.94Å; L396-S411 WeakPolarHBondContact CD1-OG 3.21Å; L396-V437 HydrophobicContact CD1-CG2 4.47Å; L396-V437 HydrophobicContact CD2-CG2 3.6Å
397T98.7Very high95.6Very high7 Ų756 Ų564%0.04327%0.271CS..SBendtrans-61.9139.4-179.8-53.80000110.8T232 S399 R404 L408 S409T232-T397 WeakPolarHBondContact O-CA 3.25Å; T232-T397 VanDerWaalsContact O-CB 3.3Å; T232-T397 WeakPolarHBondContact O-CB 3.45Å; T232-T397 PolarHBondContact O-OG1 2.92Å; T397-S399 PolarHBondContact O-N 2.98Å; T397-R404 HydrophobicContact CG2-CB 3.47Å; T397-R404 VanDerWaalsContact CG2-CB 3.47Å; T397-R404 HydrophobicContact CG2-CG 4.22Å; T397-L408 HydrophobicContact CG2-CD2 4.12Å; T397-L408 WeakPolarHBondContact OG1-CA 3.34Å; T397-S409 PolarHBondContact OG1-N 3.42Å
398P98.6Very high96.1Very high14 Ų1451.3 Ų51.39%0.09125%0.249CC..  trans-52.5138178-28.736.9000112.9T203 Q234 Q403 R404T203-P398 HydrophobicContact CG2-CG 4.04Å; Q234-P398 HydrophobicContact CB-CG 4.07Å; Q234-P398 HydrophobicContact CG-CG 4.12Å; P398-Q403 HydrophobicContact CB-CB 3.78Å; P398-Q403 HydrophobicContact CG-CB 4.28Å; P398-R404 VanDerWaalsContact O-CD 3.28Å; P398-R404 WeakPolarHBondContact O-CD 3.1Å
399S97.6Very high96.7Very high81 Ų8146.4 Ų46.457%0.56622%0.217SC*.SBendtrans-75.9-26.4-178.757.70000113.3T397 P401T397-S399 PolarHBondContact O-N 2.98Å; S399-P401 VanDerWaalsContact O-CD 3.22Å; S399-P401 WeakPolarHBondContact O-CD 3.46Å
400D97.8Very high97.3Very high36 Ų3637.7 Ų37.719%0.19318%0.177CC..SBendtrans-65.6116.2172.4-175.8-15000108.9R402 Q403D400-R402 PolarHBondContact O-N 3.19Å; D400-R402 WeakPolarHBondContact OD1-CB 3.48Å; D400-R402 WeakPolarHBondContact OD1-CG 3.49Å; D400-R402 IonicContact OD1-CZ 3.98Å; D400-R402 PolarHBondContact OD1-N 2.87Å; D400-R402 IonicContact OD1-NE 3.23Å; D400-R402 PolarHBondContact OD1-NE 3.13Å; D400-R402 IonicContact OD1-NH2 3.52Å; D400-R402 IonicContact OD2-CZ 3.94Å; D400-R402 IonicContact OD2-NE 3.39Å; D400-R402 PolarHBondContact OD2-NE 2.79Å; D400-R402 VanDerWaalsContact OD2-NE 3.15Å; D400-R402 IonicContact OD2-NH2 2.79Å; D400-R402 PolarHBondContact OD2-NH2 3.23Å; D400-Q403 HydrophobicContact CB-CB 4.34Å; D400-Q403 HydrophobicContact CB-CG 4.07Å; D400-Q403 PolarHBondContact O-N 3.03Å
401P96.9Very high97.6Very high33 Ų3334.3 Ų34.321%0.21416%0.164CC..G310 helixtrans-57.6-24.3-179.2-24.334.8000113.3R363 V367 S399 Q403R363-P401 PolarHBondContact NH2-O 2.8Å; V367-P401 HydrophobicContact CG1-CB 4.01Å; S399-P401 VanDerWaalsContact O-CD 3.22Å; S399-P401 WeakPolarHBondContact O-CD 3.46Å; P401-Q403 PolarHBondContact O-N 3.41Å
402R96.8Very high97.7Very high194 Ų19435.1 Ų35.173%0.73217%0.166SC*.G310 helixtrans-72.7-16177.1-59.6171.6-64.2177.55.8113.3D400D400-R402 PolarHBondContact O-N 3.19Å; D400-R402 WeakPolarHBondContact OD1-CB 3.48Å; D400-R402 WeakPolarHBondContact OD1-CG 3.49Å; D400-R402 IonicContact OD1-CZ 3.98Å; D400-R402 PolarHBondContact OD1-N 2.87Å; D400-R402 IonicContact OD1-NE 3.23Å; D400-R402 PolarHBondContact OD1-NE 3.13Å; D400-R402 IonicContact OD1-NH2 3.52Å; D400-R402 IonicContact OD2-CZ 3.94Å; D400-R402 IonicContact OD2-NE 3.39Å; D400-R402 PolarHBondContact OD2-NE 2.79Å; D400-R402 VanDerWaalsContact OD2-NE 3.15Å; D400-R402 IonicContact OD2-NH2 2.79Å; D400-R402 PolarHBondContact OD2-NH2 3.23Å
403Q98.3Very high97.7Very high79 Ų7933.8 Ų33.837%0.36917%0.168SC..G310 helixtrans-10717.6-178.3-59.4-17721.800112.6L235 P398 D400 P401L235-Q403 PolarHBondContact N-O 3.01Å; P398-Q403 HydrophobicContact CB-CB 3.78Å; P398-Q403 HydrophobicContact CG-CB 4.28Å; D400-Q403 HydrophobicContact CB-CB 4.34Å; D400-Q403 HydrophobicContact CB-CG 4.07Å; D400-Q403 PolarHBondContact O-N 3.03Å; P401-Q403 PolarHBondContact O-N 3.41Å
404R98.7Very high97.5Very high0 Ų034.9 Ų34.90%017%0.173CC..BIsolated β-bridgetrans-150.1156175.958.5164.9174.479.6-7.8113.7R363 T370 E374 T397 P398R363-R404 VanDerWaalsContact CZ-O 3.32Å; R363-R404 PolarHBondContact NH1-O 3.16Å; R363-R404 VanDerWaalsContact NH1-O 3.13Å; R363-R404 PolarHBondContact NH2-O 2.85Å; T370-R404 VanDerWaalsContact CG2-NH1 3.3Å; E374-R404 IonicContact OE2-CZ 3.77Å; E374-R404 IonicContact OE2-NE 3.25Å; E374-R404 IonicContact OE2-NH2 2.83Å; E374-R404 PolarHBondContact OE2-NH2 3.13Å; T397-R404 HydrophobicContact CG2-CB 3.47Å; T397-R404 VanDerWaalsContact CG2-CB 3.47Å; T397-R404 HydrophobicContact CG2-CG 4.22Å; P398-R404 VanDerWaalsContact O-CD 3.28Å; P398-R404 WeakPolarHBondContact O-CD 3.1Å
405G98.4Very high97.4Very high0 Ų033.1 Ų33.10%018%0.177CC..  trans-90.7-146170.400000113.3N262 Q407N262-G405 WeakPolarHBondContact OD1-CA 3.21Å; G405-Q407 VanDerWaalsContact C-N 3.34Å
406C98.8Very high97.2Very high0 Ų032.3 Ų32.30%017%0.173CC..SBendtrans-65.9-33.1175.6-65.30000113.5N262 Y282 S366 T370 A441 P442 V443N262-C406 PolarHBondContact OD1-N 3.22Å; N262-C406 PolarHBondContact OD1-SG 3.43Å; Y282-C406 HydrophobicContact CE1-CB 4.01Å; S366-C406 PolarHBondContact OG-SG 3.38Å; T370-C406 VanDerWaalsContact CG2-O 3.27Å; T370-C406 WeakPolarHBondContact CG2-O 3.36Å; T370-C406 WeakPolarHBondContact OG1-CA 3.31Å; T370-C406 PolarHBondContact OG1-O 2.9Å; C406-A441 HydrophobicContact CB-CB 4.44Å; C406-P442 WeakPolarHBondContact CB-O 3.42Å; C406-P442 WeakPolarHBondContact O-CD 3.3Å; C406-V443 HydrophobicContact CB-CG1 4.4Å
407Q98.7Very high97.1Very high1 Ų138.1 Ų38.11%0.00519%0.194CC..  trans-72.2137.2-172.9-178.2-179.5-59.800112.6N79 Y230 G405 S409 R439 I440 A441N79-Q407 PolarHBondContact ND2-OE1 3Å; Y230-Q407 PolarHBondContact O-NE2 3.12Å; Y230-Q407 PolarHBondContact O-OE1 2.61Å; G405-Q407 VanDerWaalsContact C-N 3.34Å; Q407-S409 PolarHBondContact NE2-OG 3.26Å; Q407-R439 HydrophobicContact CG-CB 4.17Å; Q407-I440 CarbonylContact C-O 3.5Å; Q407-I440 WeakPolarHBondContact CA-O 3.44Å; Q407-A441 HydrophobicContact CB-CB 4.14Å
408L98.8Very high96.9Very high0 Ų043.9 Ų43.90%021%0.214CC..EExtended strand (participates in β ladder)trans-113131.9153.9-61.4-178.8000109.6T370 L373 E374 I377 I395 T397 L410 I440T370-L408 HydrophobicContact CG2-CD1 4.13Å; T370-L408 HydrophobicContact CG2-CD2 3.76Å; T370-L408 HydrophobicContact CG2-CG 3.65Å; L373-L408 HydrophobicContact CB-CD1 4.41Å; L373-L408 HydrophobicContact CD2-CD1 3.81Å; L373-L408 HydrophobicContact CD2-CG 4.34Å; L373-L408 HydrophobicContact CG-CD1 3.9Å; E374-L408 HydrophobicContact CB-CD1 3.95Å; I377-L408 HydrophobicContact CD1-CD1 4.38Å; I395-L408 HydrophobicContact CD1-CD1 4.49Å; I395-L408 HydrophobicContact CG2-CD2 4.17Å; T397-L408 HydrophobicContact CG2-CD2 4.12Å; T397-L408 WeakPolarHBondContact OG1-CA 3.34Å; L408-L410 HydrophobicContact CB-CD2 4.04Å; L408-I440 PolarHBondContact N-O 3Å; L408-I440 PolarHBondContact O-N 2.75Å
409S98.5Very high96.8Very high0 Ų043.2 Ų43.20%021%0.21CC..EExtended strand (participates in β ladder)trans-99.1115.4175-67.90000109.1Y231 L396 T397 Q407Y231-S409 VanDerWaalsContact O-CB 3.26Å; Y231-S409 WeakPolarHBondContact O-CB 3.3Å; Y231-S409 PolarHBondContact O-OG 3.04Å; L396-S409 PolarHBondContact N-O 2.94Å; T397-S409 PolarHBondContact OG1-N 3.42Å; Q407-S409 PolarHBondContact NE2-OG 3.26Å
410L98.2Very high96.8Very high0 Ų040.8 Ų40.80%019%0.189CC..EExtended strand (participates in β ladder)trans-109.3135.7-171.4-51.3-178.1000110.2I377 V393 I395 L408 F412 V437 L438 I440I377-L410 HydrophobicContact CD1-CD1 3.9Å; I377-L410 HydrophobicContact CD1-CD2 3.84Å; V393-L410 HydrophobicContact CG1-CB 3.97Å; V393-L410 HydrophobicContact CG1-CD1 4.29Å; V393-L410 HydrophobicContact CG1-CD2 4.09Å; V393-L410 HydrophobicContact CG1-CG 4.34Å; I395-L410 HydrophobicContact CB-CD2 4.41Å; I395-L410 HydrophobicContact CG1-CD2 3.77Å; I395-L410 HydrophobicContact CG2-CD2 4.49Å; L408-L410 HydrophobicContact CB-CD2 4.04Å; L410-F412 HydrophobicContact CB-CE2 3.99Å; L410-F412 HydrophobicContact CB-CZ 3.94Å; L410-F412 HydrophobicContact CD1-CZ 4.39Å; L410-V437 WeakPolarHBondContact O-CA 3.49Å; L410-L438 HydrophobicContact CB-CB 4.49Å; L410-L438 PolarHBondContact N-O 3Å; L410-L438 PolarHBondContact O-N 2.76Å; L410-I440 HydrophobicContact CD1-CG1 3.81Å; L410-I440 HydrophobicContact CG-CG1 4.43Å
411S96.6Very high96.7Very high15 Ų1543.2 Ų43.211%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-115.6156.8165.858.10000109.7V393 R394 L396V393-S411 CarbonylContact C-O 3.49Å; V393-S411 WeakPolarHBondContact CA-O 3.3Å; R394-S411 WeakPolarHBondContact CB-OG 3.36Å; R394-S411 PolarHBondContact N-O 3.45Å; R394-S411 PolarHBondContact NE-OG 3.2Å; R394-S411 PolarHBondContact O-N 2.8Å; R394-S411 PolarHBondContact O-OG 2.89Å; L396-S411 WeakPolarHBondContact CD1-OG 3.21Å
412F96Very high96.8Very high27 Ų2742.9 Ų42.912%0.11820%0.195CC..EExtended strand (participates in β ladder)trans-128.4147.9-169.8-60.3-92000110.2V393 L410 I414 I416 V419 L438 L459 L463V393-F412 HydrophobicContact CG1-CE1 4.23Å; V393-F412 HydrophobicContact CG2-CD1 3.72Å; V393-F412 HydrophobicContact CG2-CE1 3.61Å; L410-F412 HydrophobicContact CB-CE2 3.99Å; L410-F412 HydrophobicContact CB-CZ 3.94Å; L410-F412 HydrophobicContact CD1-CZ 4.39Å; F412-I414 HydrophobicContact CB-CG1 4.38Å; F412-I414 WeakPolarHBondContact CB-O 3.43Å; F412-I414 PolarHBondContact O-N 2.65Å; F412-I416 HydrophobicContact CD2-CB 4.35Å; F412-I416 HydrophobicContact CD2-CD1 4.02Å; F412-I416 HydrophobicContact CD2-CG1 3.84Å; F412-I416 HydrophobicContact CE2-CD1 4.16Å; F412-I416 HydrophobicContact CE2-CG1 4.12Å; F412-V419 HydrophobicContact CD1-CG1 4.2Å; F412-V419 HydrophobicContact CD1-CG2 4.28Å; F412-V419 HydrophobicContact CE1-CG1 3.88Å; F412-V419 HydrophobicContact CG-CG2 4.33Å; F412-V419 HydrophobicContact CZ-CG1 4.07Å; F412-L438 HydrophobicContact CE2-CB 3.69Å; F412-L438 HydrophobicContact CE2-CD2 4.06Å; F412-L438 HydrophobicContact CZ-CB 4.25Å; F412-L438 HydrophobicContact CZ-CD2 3.86Å; F412-L459 HydrophobicContact CE1-CD1 4.02Å; F412-L463 HydrophobicContact CD1-CD2 3.85Å; F412-L463 HydrophobicContact CE1-CD2 4.21Å
413S94.7Very high96.9Very high51 Ų5133.7 Ų33.736%0.35716%0.161SC..SBendtrans-74.2-6.5173.267.30000114.1A391 Y392A391-S413 WeakPolarHBondContact CA-OG 3.47Å; Y392-S413 VanDerWaalsContact CD1-CB 3.41Å; Y392-S413 WeakPolarHBondContact CD1-OG 3.26Å; Y392-S413 VanDerWaalsContact CZ-CB 3.45Å; Y392-S413 PolarHBondContact N-OG 2.92Å; Y392-S413 PolarHBondContact O-N 2.85Å
414I93.3Very high96.8Very high32 Ų3232.4 Ų32.416%0.16416%0.155CC..SBendtrans-119.7164.1175.762.5173.2000110.5A391 F412 I416 V419 L463A391-I414 HydrophobicContact CB-CD1 3.98Å; A391-I414 HydrophobicContact CB-CG1 4.31Å; A391-I414 HydrophobicContact CB-CG2 4.03Å; F412-I414 HydrophobicContact CB-CG1 4.38Å; F412-I414 WeakPolarHBondContact CB-O 3.43Å; F412-I414 PolarHBondContact O-N 2.65Å; I414-I416 PolarHBondContact O-N 3.19Å; I414-V419 HydrophobicContact CD1-CG2 3.73Å; I414-V419 HydrophobicContact CG1-CG2 3.77Å; I414-L463 HydrophobicContact CD1-CD2 3.91Å; I414-L463 HydrophobicContact CG1-CD2 4.43Å
415P93.8Very high96.8Very high79 Ų7935.9 Ų35.951%0.51317%0.17SC..  trans-56.7114.1-176.6-27.336.1000113.1R417 R418P415-R417 PolarHBondContact O-N 3.43Å; P415-R417 VanDerWaalsContact O-N 3.13Å; P415-R418 HydrophobicContact CB-CG 4.33Å; P415-R418 WeakPolarHBondContact O-CB 3.16Å; P415-R418 PolarHBondContact O-N 3.36Å
416I94.5Very high96.8Very high18 Ų1837.1 Ų37.19%0.09218%0.175CC..Hα-helixtrans-55.8-35.6-174.5-170.9167000113.7F412 I414 R418 V419 F420 M432 S436 L438F412-I416 HydrophobicContact CD2-CB 4.35Å; F412-I416 HydrophobicContact CD2-CD1 4.02Å; F412-I416 HydrophobicContact CD2-CG1 3.84Å; F412-I416 HydrophobicContact CE2-CD1 4.16Å; F412-I416 HydrophobicContact CE2-CG1 4.12Å; I414-I416 PolarHBondContact O-N 3.19Å; I416-R418 PolarHBondContact O-N 3.28Å; I416-V419 PolarHBondContact O-N 3.09Å; I416-V419 VanDerWaalsContact O-N 3.13Å; I416-F420 WeakPolarHBondContact O-CB 3.08Å; I416-F420 PolarHBondContact O-N 3.02Å; I416-M432 HydrophobicContact CD1-CG 4.28Å; I416-M432 HydrophobicContact CG1-CG 4.41Å; I416-M432 HydrophobicContact CG1-SD 4.37Å; I416-M432 HydrophobicContact CG2-SD 4.1Å; I416-S436 WeakPolarHBondContact CD1-O 3.48Å; I416-L438 HydrophobicContact CD1-CB 4Å; I416-L438 VanDerWaalsContact CD1-N 3.32Å
417R94.9Very high96.8Very high133 Ų13337.1 Ų37.150%0.50218%0.175SC..Hα-helixtrans-60.3-35-179.7-176.1174.8-72-98.8-1.9111.9P415 Q421 M432 E434P415-R417 PolarHBondContact O-N 3.43Å; P415-R417 VanDerWaalsContact O-N 3.13Å; R417-Q421 WeakPolarHBondContact O-CB 3.37Å; R417-Q421 WeakPolarHBondContact O-CG 3.42Å; R417-Q421 PolarHBondContact O-N 3.2Å; R417-M432 HydrophobicContact CB-SD 4.42Å; R417-E434 IonicContact CZ-OE1 2.65Å; R417-E434 IonicContact NH2-OE1 2.93Å; R417-E434 PolarHBondContact NH2-OE1 3.05Å
418R95.2Very high96.8Very high128 Ų12837.1 Ų37.148%0.48318%0.175SC..Hα-helixtrans-68.4-47.6175.1-64.9-176.2179.7-167.4-1.8110.6P415 I416 F420 Q421 E422 S466P415-R418 HydrophobicContact CB-CG 4.33Å; P415-R418 WeakPolarHBondContact O-CB 3.16Å; P415-R418 PolarHBondContact O-N 3.36Å; I416-R418 PolarHBondContact O-N 3.28Å; R418-F420 VanDerWaalsContact C-N 3.33Å; R418-F420 PolarHBondContact O-N 2.96Å; R418-Q421 PolarHBondContact O-N 3.1Å; R418-E422 WeakPolarHBondContact O-CB 3.33Å; R418-E422 WeakPolarHBondContact O-CG 3.48Å; R418-E422 PolarHBondContact O-N 3.44Å; R418-S466 VanDerWaalsContact C-OG 3.31Å; R418-S466 PolarHBondContact NH1-O 2.87Å; R418-S466 PolarHBondContact O-OG 3.11Å
419V96.4Very high96.7Very high0 Ų037.9 Ų37.90%018%0.181CC..Hα-helixtrans-58.2-47177.8-175.80000110.8F412 I414 I416 E422 L423 L459 L463 S466F412-V419 HydrophobicContact CD1-CG1 4.2Å; F412-V419 HydrophobicContact CD1-CG2 4.28Å; F412-V419 HydrophobicContact CE1-CG1 3.88Å; F412-V419 HydrophobicContact CG-CG2 4.33Å; F412-V419 HydrophobicContact CZ-CG1 4.07Å; I414-V419 HydrophobicContact CD1-CG2 3.73Å; I414-V419 HydrophobicContact CG1-CG2 3.77Å; I416-V419 PolarHBondContact O-N 3.09Å; I416-V419 VanDerWaalsContact O-N 3.13Å; V419-E422 PolarHBondContact O-N 3.46Å; V419-L423 HydrophobicContact CG1-CD1 4.02Å; V419-L423 HydrophobicContact CG1-CG 4.41Å; V419-L423 WeakPolarHBondContact O-CB 3.13Å; V419-L423 VanDerWaalsContact O-CG 3.25Å; V419-L423 WeakPolarHBondContact O-CG 3.31Å; V419-L423 PolarHBondContact O-N 3.25Å; V419-L459 HydrophobicContact CG1-CD1 4.13Å; V419-L463 HydrophobicContact CG1-CD2 4.14Å; V419-L463 HydrophobicContact CG2-CD2 3.94Å; V419-S466 WeakPolarHBondContact CA-OG 3.37Å; V419-S466 PolarHBondContact N-OG 2.96Å
420F97.1Very high96.3Very high30 Ų3038.4 Ų38.413%0.13218%0.184CC..Hα-helixtrans-57.9-50.9176.9177.5-108.6000112.1I416 R418 E422 L423 E424 M432 L438I416-F420 WeakPolarHBondContact O-CB 3.08Å; I416-F420 PolarHBondContact O-N 3.02Å; R418-F420 VanDerWaalsContact C-N 3.33Å; R418-F420 PolarHBondContact O-N 2.96Å; F420-E422 VanDerWaalsContact C-N 3.34Å; F420-E422 PolarHBondContact O-N 2.82Å; F420-L423 WeakPolarHBondContact O-CB 3.43Å; F420-L423 PolarHBondContact O-N 2.83Å; F420-E424 HydrophobicContact CD2-CG 4.42Å; F420-E424 HydrophobicContact CE1-CG 4.16Å; F420-E424 WeakPolarHBondContact CE1-OE2 3.12Å; F420-E424 HydrophobicContact CE2-CG 4.01Å; F420-E424 HydrophobicContact CZ-CG 3.87Å; F420-E424 WeakPolarHBondContact CZ-OE1 3.37Å; F420-E424 WeakPolarHBondContact O-CG 3.31Å; F420-E424 PolarHBondContact O-N 3.2Å; F420-M432 HydrophobicContact CB-CB 4.49Å; F420-M432 HydrophobicContact CB-SD 3.98Å; F420-M432 HydrophobicContact CD1-CB 4.29Å; F420-M432 HydrophobicContact CD1-CE 4.47Å; F420-M432 HydrophobicContact CD1-SD 4.22Å; F420-M432 HydrophobicContact CD2-CB 3.77Å; F420-M432 HydrophobicContact CE2-CB 4.01Å; F420-M432 HydrophobicContact CG-CB 3.91Å; F420-M432 HydrophobicContact CG-SD 4.11Å; F420-M432 HydrophobicContact CZ-CB 4.37Å; F420-L438 HydrophobicContact CD2-CD1 3.64Å; F420-L438 HydrophobicContact CE2-CD1 4.35Å
421Q96.9Very high95.9Very high88 Ų8839.3 Ų39.341%0.41119%0.189SC..Hα-helixtrans-60.7-41.6178.1-74.3171.7-16.900112.4R417 R418 E424 K425R417-Q421 WeakPolarHBondContact O-CB 3.37Å; R417-Q421 WeakPolarHBondContact O-CG 3.42Å; R417-Q421 PolarHBondContact O-N 3.2Å; R418-Q421 PolarHBondContact O-N 3.1Å; Q421-E424 PolarHBondContact O-N 2.7Å; Q421-K425 VanDerWaalsContact O-CG 3.28Å; Q421-K425 WeakPolarHBondContact O-CG 3.44Å; Q421-K425 PolarHBondContact O-N 3.27Å
422E98Very high95.8Very high26 Ų2640.3 Ų40.312%0.12119%0.192CC..Hα-helixtrans-69.9-32.1178.9-70.4-57.7116.400112.6R418 V419 F420 K425 R426 A462 A465R418-E422 WeakPolarHBondContact O-CB 3.33Å; R418-E422 WeakPolarHBondContact O-CG 3.48Å; R418-E422 PolarHBondContact O-N 3.44Å; V419-E422 PolarHBondContact O-N 3.46Å; F420-E422 VanDerWaalsContact C-N 3.34Å; F420-E422 PolarHBondContact O-N 2.82Å; E422-K425 WeakPolarHBondContact OE1-CD 3.5Å; E422-K425 IonicContact OE1-NZ 2.72Å; E422-K425 PolarHBondContact OE1-NZ 3.03Å; E422-R426 WeakPolarHBondContact O-CG 3.49Å; E422-R426 PolarHBondContact O-N 3.15Å; E422-R426 PolarHBondContact O-NH1 3.48Å; E422-R426 IonicContact OE2-CZ 2.81Å; E422-R426 VanDerWaalsContact OE2-CZ 3.26Å; E422-R426 IonicContact OE2-NH1 3.27Å; E422-R426 PolarHBondContact OE2-NH1 2.88Å; E422-R426 IonicContact OE2-NH2 3.9Å; E422-R426 PolarHBondContact OE2-NH2 3.03Å; E422-A462 HydrophobicContact CB-CB 3.77Å; E422-A465 HydrophobicContact CG-CB 4.1Å; E422-A465 WeakPolarHBondContact OE2-CB 3.29Å
423L98.3Very high95.6Very high0 Ų043 Ų430%020%0.202CC..Hα-helixtrans-67-47.4171.2-74.7171.4000111.4V419 F420 K425 R426 G427 V428 L438 F455 T458 L459 A462V419-L423 HydrophobicContact CG1-CD1 4.02Å; V419-L423 HydrophobicContact CG1-CG 4.41Å; V419-L423 WeakPolarHBondContact O-CB 3.13Å; V419-L423 VanDerWaalsContact O-CG 3.25Å; V419-L423 WeakPolarHBondContact O-CG 3.31Å; V419-L423 PolarHBondContact O-N 3.25Å; F420-L423 WeakPolarHBondContact O-CB 3.43Å; F420-L423 PolarHBondContact O-N 2.83Å; L423-K425 PolarHBondContact O-N 2.83Å; L423-R426 CarbonylContact O-C 3.58Å; L423-R426 WeakPolarHBondContact O-CA 3.25Å; L423-R426 PolarHBondContact O-N 3.18Å; L423-G427 PolarHBondContact O-N 2.97Å; L423-V428 HydrophobicContact CB-CB 4.13Å; L423-V428 HydrophobicContact CB-CG2 4.5Å; L423-V428 HydrophobicContact CD2-CG2 4.17Å; L423-V428 WeakPolarHBondContact O-CB 3.44Å; L423-V428 PolarHBondContact O-N 2.75Å; L423-V428 VanDerWaalsContact O-N 3.13Å; L423-L438 HydrophobicContact CD1-CD2 3.46Å; L423-L438 VanDerWaalsContact CD1-CD2 3.46Å; L423-F455 HydrophobicContact CD1-CE2 4.41Å; L423-F455 HydrophobicContact CD2-CE2 4.17Å; L423-T458 HydrophobicContact CD2-CG2 4.12Å; L423-L459 HydrophobicContact CD1-CD1 4.37Å; L423-L459 HydrophobicContact CD2-CB 4.44Å; L423-L459 HydrophobicContact CD2-CD1 4.29Å; L423-A462 HydrophobicContact CD2-CB 3.84Å; L423-A462 HydrophobicContact CG-CB 3.89Å
424E97.8Very high95.1Very high52 Ų5246 Ų4624%0.24321%0.21CC..Hα-helixtrans-60.3-44.9179-78.4-165.3127.200112.1P61 F420 Q421 R426 G427P61-E424 HydrophobicContact CB-CB 3.87Å; P61-E424 HydrophobicContact CG-CB 3.66Å; P61-E424 HydrophobicContact CG-CG 4.17Å; F420-E424 HydrophobicContact CD2-CG 4.42Å; F420-E424 HydrophobicContact CE1-CG 4.16Å; F420-E424 WeakPolarHBondContact CE1-OE2 3.12Å; F420-E424 HydrophobicContact CE2-CG 4.01Å; F420-E424 HydrophobicContact CZ-CG 3.87Å; F420-E424 WeakPolarHBondContact CZ-OE1 3.37Å; F420-E424 WeakPolarHBondContact O-CG 3.31Å; F420-E424 PolarHBondContact O-N 3.2Å; Q421-E424 PolarHBondContact O-N 2.7Å; E424-R426 PolarHBondContact O-N 2.77Å; E424-R426 VanDerWaalsContact O-N 3.13Å; E424-G427 PolarHBondContact O-N 3.22Å
425K98.3Very high94.6Very high73 Ų7348.9 Ų48.932%0.31723%0.231SC..Hα-helixtrans-56-29.6174-74.9174.7-171.5173.20113.2P61 D63 L66 Q421 E422 L423P61-K425 WeakPolarHBondContact O-CA 3.44Å; D63-K425 HydrophobicContact CB-CB 4.08Å; D63-K425 HydrophobicContact CB-CG 4.29Å; D63-K425 PolarHBondContact N-O 3.49Å; L66-K425 HydrophobicContact CD1-CB 4.22Å; Q421-K425 VanDerWaalsContact O-CG 3.28Å; Q421-K425 WeakPolarHBondContact O-CG 3.44Å; Q421-K425 PolarHBondContact O-N 3.27Å; E422-K425 WeakPolarHBondContact OE1-CD 3.5Å; E422-K425 IonicContact OE1-NZ 2.72Å; E422-K425 PolarHBondContact OE1-NZ 3.03Å; L423-K425 PolarHBondContact O-N 2.83Å
426R98.3Very high94.4Very high27 Ų2747.7 Ų47.710%0.10223%0.225CC..THydrogen-bonded Turntrans-97.119-178.7-68.4170.1-176.170.4-4.1112.9L66 V67 E422 L423 E424 T458L66-R426 HydrophobicContact CB-CG 4.33Å; L66-R426 HydrophobicContact CD1-CG 4.3Å; V67-R426 HydrophobicContact CG1-CB 3.95Å; V67-R426 HydrophobicContact CG1-CG 4.18Å; E422-R426 WeakPolarHBondContact O-CG 3.49Å; E422-R426 PolarHBondContact O-N 3.15Å; E422-R426 PolarHBondContact O-NH1 3.48Å; E422-R426 IonicContact OE2-CZ 2.81Å; E422-R426 VanDerWaalsContact OE2-CZ 3.26Å; E422-R426 IonicContact OE2-NH1 3.27Å; E422-R426 PolarHBondContact OE2-NH1 2.88Å; E422-R426 IonicContact OE2-NH2 3.9Å; E422-R426 PolarHBondContact OE2-NH2 3.03Å; L423-R426 CarbonylContact O-C 3.58Å; L423-R426 WeakPolarHBondContact O-CA 3.25Å; L423-R426 PolarHBondContact O-N 3.18Å; E424-R426 PolarHBondContact O-N 2.77Å; E424-R426 VanDerWaalsContact O-N 3.13Å; R426-T458 HydrophobicContact CB-CG2 3.57Å; R426-T458 HydrophobicContact CG-CG2 4.45Å
427G97.9Very high94.4Very high0 Ų046.9 Ų46.90%022%0.221CC..THydrogen-bonded Turntrans78.823.6171.100000114.7C73 I74 L423 E424C73-G427 WeakPolarHBondContact CB-O 3.37Å; I74-G427 PolarHBondContact N-O 3.04Å; L423-G427 PolarHBondContact O-N 2.97Å; E424-G427 PolarHBondContact O-N 3.22Å
428V98.3Very high94.5Very high1 Ų140.5 Ų40.51%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-96.8117.4172.2-177.20000109.5I74 L423 C430 F455 T458I74-V428 HydrophobicContact CB-CG2 4.14Å; I74-V428 HydrophobicContact CD1-CG2 4.02Å; I74-V428 HydrophobicContact CG2-CG1 4.33Å; I74-V428 HydrophobicContact CG2-CG2 4.45Å; I74-V428 WeakPolarHBondContact O-CA 3.32Å; L423-V428 HydrophobicContact CB-CB 4.13Å; L423-V428 HydrophobicContact CB-CG2 4.5Å; L423-V428 HydrophobicContact CD2-CG2 4.17Å; L423-V428 WeakPolarHBondContact O-CB 3.44Å; L423-V428 PolarHBondContact O-N 2.75Å; L423-V428 VanDerWaalsContact O-N 3.13Å; V428-C430 HydrophobicContact CG1-CB 4.19Å; V428-F455 HydrophobicContact CG1-CD2 3.97Å; V428-F455 HydrophobicContact CG1-CE2 4.13Å; V428-F455 HydrophobicContact CG2-CD2 4.45Å; V428-T458 HydrophobicContact CG2-CG2 3.62Å
429A97.1Very high94.7Very high16 Ų1634.6 Ų34.613%0.13217%0.174CC..EExtended strand (participates in β ladder)trans-89.4110.9169.900000109.3L59 I74 Y75 L76L59-A429 HydrophobicContact CD1-CB 4.44Å; I74-A429 PolarHBondContact O-N 2.91Å; Y75-A429 HydrophobicContact CD2-CB 3.55Å; Y75-A429 HydrophobicContact CE2-CB 3.9Å; Y75-A429 HydrophobicContact CG-CB 4.35Å; L76-A429 CarbonylContact C-O 3.54Å; L76-A429 PolarHBondContact N-O 3.36Å
430C90.4Very high94.7Very high11 Ų1134.6 Ų34.67%0.07417%0.174CC..  trans-139.6172.8-177.354.10000110.8V428 L438 I440V428-C430 HydrophobicContact CG1-CB 4.19Å; C430-L438 HydrophobicContact CB-CD1 4.15Å; C430-I440 HydrophobicContact CB-CD1 3.65Å
431D90.3Very high94.8Very high18 Ų1833.2 Ų33.210%0.09617%0.168CC..EExtended strand (participates in β ladder)trans-121.9118.1-176.9179.280.2000111R433 R439D431-R433 IonicContact OD1-CZ 3.36Å; D431-R433 IonicContact OD1-NE 2.75Å; D431-R433 PolarHBondContact OD1-NE 3.48Å; D431-R433 IonicContact OD1-NH2 3.2Å; D431-R433 PolarHBondContact OD1-NH2 2.87Å; D431-R433 WeakPolarHBondContact OD2-CG 3.42Å; D431-R433 IonicContact OD2-CZ 2.75Å; D431-R433 IonicContact OD2-NE 2.68Å; D431-R433 PolarHBondContact OD2-NE 3.47Å; D431-R433 IonicContact OD2-NH2 3.43Å; D431-R439 HydrophobicContact CB-CB 4.46Å; D431-R439 PolarHBondContact O-N 3.45Å; D431-R439 IonicContact OD1-NH2 2.9Å; D431-R439 IonicContact OD2-CZ 3.45Å; D431-R439 IonicContact OD2-NE 3.05Å; D431-R439 PolarHBondContact OD2-NE 3.4Å; D431-R439 IonicContact OD2-NH2 3.41Å; D431-R439 PolarHBondContact OD2-NH2 3.34Å
432M93.6Very high94.9Very high36 Ų3629 Ų2918%0.17715%0.149CC..EExtended strand (participates in β ladder)trans-93.4135.4171.9-174.1-176.973.400110.2I416 R417 F420 V437 L438I416-M432 HydrophobicContact CD1-CG 4.28Å; I416-M432 HydrophobicContact CG1-CG 4.41Å; I416-M432 HydrophobicContact CG1-SD 4.37Å; I416-M432 HydrophobicContact CG2-SD 4.1Å; R417-M432 HydrophobicContact CB-SD 4.42Å; F420-M432 HydrophobicContact CB-CB 4.49Å; F420-M432 HydrophobicContact CB-SD 3.98Å; F420-M432 HydrophobicContact CD1-CB 4.29Å; F420-M432 HydrophobicContact CD1-CE 4.47Å; F420-M432 HydrophobicContact CD1-SD 4.22Å; F420-M432 HydrophobicContact CD2-CB 3.77Å; F420-M432 HydrophobicContact CE2-CB 4.01Å; F420-M432 HydrophobicContact CG-CB 3.91Å; F420-M432 HydrophobicContact CG-SD 4.11Å; F420-M432 HydrophobicContact CZ-CB 4.37Å; M432-V437 CarbonylContact C-O 3.54Å; M432-V437 WeakPolarHBondContact CA-O 3.38Å; M432-L438 HydrophobicContact CB-CD1 4.34Å
433R91.4Very high94.9Very high83 Ų8328 Ų2831%0.31314%0.144SC..EExtended strand (participates in β ladder)trans-122.6127.7172.5-64.9-68.4161.6-179.2-7.1110Y231 D431 S436 V437Y231-R433 HydrophobicContact CD2-CB 3.82Å; Y231-R433 HydrophobicContact CE2-CB 3.82Å; D431-R433 IonicContact OD1-CZ 3.36Å; D431-R433 IonicContact OD1-NE 2.75Å; D431-R433 PolarHBondContact OD1-NE 3.48Å; D431-R433 IonicContact OD1-NH2 3.2Å; D431-R433 PolarHBondContact OD1-NH2 2.87Å; D431-R433 WeakPolarHBondContact OD2-CG 3.42Å; D431-R433 IonicContact OD2-CZ 2.75Å; D431-R433 IonicContact OD2-NE 2.68Å; D431-R433 PolarHBondContact OD2-NE 3.47Å; D431-R433 IonicContact OD2-NH2 3.43Å; R433-S436 PolarHBondContact O-N 3.39Å; R433-V437 PolarHBondContact N-O 2.92Å; R433-V437 PolarHBondContact O-N 3.23Å
434E84.9Confident94.9Very high114 Ų11428.3 Ų28.353%0.53315%0.146SC..THydrogen-bonded Turntrans-60.6146.4170.1-64.6-68.1171.500109.8R417R417-E434 IonicContact CZ-OE1 2.65Å; R417-E434 IonicContact NH2-OE1 2.93Å; R417-E434 PolarHBondContact NH2-OE1 3.05Å
435P83.2Confident95Very high94 Ų9426.2 Ų26.261%0.6114%0.137SC*.THydrogen-bonded Turncis-83.9-20.32.631.9-35.5000115.1
436S88.5Confident95Very high54 Ų5422.8 Ų22.838%0.37812%0.122SC..THydrogen-bonded Turntrans-161.329.8-165.559.70000116.7I416 R433I416-S436 WeakPolarHBondContact CD1-O 3.48Å; R433-S436 PolarHBondContact O-N 3.39Å
437V95.4Very high95Very high0 Ų021.8 Ų21.80%012%0.118CC..EExtended strand (participates in β ladder)trans-121.2136.4179.9162.80000113.7Y231 L396 L410 M432 R433 R439Y231-V437 HydrophobicContact CD1-CG2 4.39Å; Y231-V437 HydrophobicContact CD2-CB 4.39Å; Y231-V437 HydrophobicContact CE1-CB 4.13Å; Y231-V437 HydrophobicContact CE1-CG2 3.51Å; Y231-V437 HydrophobicContact CE2-CB 3.67Å; Y231-V437 HydrophobicContact CE2-CG1 4.39Å; Y231-V437 HydrophobicContact CE2-CG2 3.96Å; Y231-V437 WeakPolarHBondContact OH-CG2 3.28Å; L396-V437 HydrophobicContact CD1-CG2 4.47Å; L396-V437 HydrophobicContact CD2-CG2 3.6Å; L410-V437 WeakPolarHBondContact O-CA 3.49Å; M432-V437 CarbonylContact C-O 3.54Å; M432-V437 WeakPolarHBondContact CA-O 3.38Å; R433-V437 PolarHBondContact N-O 2.92Å; R433-V437 PolarHBondContact O-N 3.23Å; V437-R439 HydrophobicContact CG1-CG 3.77Å
438L97.6Very high95.1Very high0 Ų022.7 Ų22.70%013%0.125CC..EExtended strand (participates in β ladder)trans-105.7121166.9-172.767.7000107.7L410 F412 I416 F420 L423 C430 M432 I440L410-L438 HydrophobicContact CB-CB 4.49Å; L410-L438 PolarHBondContact N-O 3Å; L410-L438 PolarHBondContact O-N 2.76Å; F412-L438 HydrophobicContact CE2-CB 3.69Å; F412-L438 HydrophobicContact CE2-CD2 4.06Å; F412-L438 HydrophobicContact CZ-CB 4.25Å; F412-L438 HydrophobicContact CZ-CD2 3.86Å; I416-L438 HydrophobicContact CD1-CB 4Å; I416-L438 VanDerWaalsContact CD1-N 3.32Å; F420-L438 HydrophobicContact CD2-CD1 3.64Å; F420-L438 HydrophobicContact CE2-CD1 4.35Å; L423-L438 HydrophobicContact CD1-CD2 3.46Å; L423-L438 VanDerWaalsContact CD1-CD2 3.46Å; C430-L438 HydrophobicContact CB-CD1 4.15Å; M432-L438 HydrophobicContact CB-CD1 4.34Å; L438-I440 HydrophobicContact CD2-CD1 3.84Å; L438-I440 HydrophobicContact CD2-CG1 4.29Å; L438-I440 HydrophobicContact CG-CD1 3.85Å; L438-I440 HydrophobicContact CG-CG1 4.23Å
439R97.9Very high95.1Very high4 Ų422.6 Ų22.62%0.01512%0.124CC..EExtended strand (participates in β ladder)trans-96.4119.5179.3-57.3-168.1-59.6158.61.9109.1Y230 H258 Q407 D431 V437Y230-R439 WeakPolarHBondContact O-CD 3.21Å; Y230-R439 PolarHBondContact O-NH1 2.83Å; H258-R439 PolarHBondContact CE1-NH1 3Å; Q407-R439 HydrophobicContact CG-CB 4.17Å; D431-R439 HydrophobicContact CB-CB 4.46Å; D431-R439 PolarHBondContact O-N 3.45Å; D431-R439 IonicContact OD1-NH2 2.9Å; D431-R439 IonicContact OD2-CZ 3.45Å; D431-R439 IonicContact OD2-NE 3.05Å; D431-R439 PolarHBondContact OD2-NE 3.4Å; D431-R439 IonicContact OD2-NH2 3.41Å; D431-R439 PolarHBondContact OD2-NH2 3.34Å; V437-R439 HydrophobicContact CG1-CG 3.77Å
440I98.3Very high95.2Very high0 Ų027.3 Ų27.30%014%0.139CC..EExtended strand (participates in β ladder)trans-118.1115.5-179.7-57.9-60000108.2L76 L373 Q407 L408 L410 C430 L438 F455L76-I440 HydrophobicContact CB-CG2 3.98Å; L76-I440 HydrophobicContact CD1-CG2 3.6Å; L76-I440 HydrophobicContact CG-CG2 4.27Å; L373-I440 HydrophobicContact CD2-CB 4.42Å; L373-I440 HydrophobicContact CD2-CG2 3.69Å; Q407-I440 CarbonylContact C-O 3.5Å; Q407-I440 WeakPolarHBondContact CA-O 3.44Å; L408-I440 PolarHBondContact N-O 3Å; L408-I440 PolarHBondContact O-N 2.75Å; L410-I440 HydrophobicContact CD1-CG1 3.81Å; L410-I440 HydrophobicContact CG-CG1 4.43Å; C430-I440 HydrophobicContact CB-CD1 3.65Å; L438-I440 HydrophobicContact CD2-CD1 3.84Å; L438-I440 HydrophobicContact CD2-CG1 4.29Å; L438-I440 HydrophobicContact CG-CD1 3.85Å; L438-I440 HydrophobicContact CG-CG1 4.23Å; I440-F455 HydrophobicContact CD1-CE2 3.8Å; I440-F455 HydrophobicContact CD1-CZ 3.76Å; I440-F455 HydrophobicContact CG1-CE1 4.42Å; I440-F455 HydrophobicContact CG1-CE2 4.34Å; I440-F455 HydrophobicContact CG1-CZ 3.79Å; I440-F455 HydrophobicContact CG2-CE1 4.17Å; I440-F455 HydrophobicContact CG2-CZ 4.17Å
441A98.5Very high95.6Very high0 Ų027 Ų270%014%0.136CC..BIsolated β-bridgetrans-12887.1-17500000111.6L76 N79 C406 Q407 V443L76-A441 PolarHBondContact O-N 3.31Å; N79-A441 HydrophobicContact CB-CB 3.65Å; N79-A441 VanDerWaalsContact CG-CB 3.48Å; C406-A441 HydrophobicContact CB-CB 4.44Å; Q407-A441 HydrophobicContact CB-CB 4.14Å; A441-V443 PolarHBondContact O-N 3Å
442P98.7Very high96Very high0 Ų026.2 Ų26.20%013%0.132CC..  trans-69.4116.1168.929.6-34.8000109.7L76 L369 L373 C406 N447 V452L76-P442 HydrophobicContact CD2-CB 3.79Å; L369-P442 HydrophobicContact CD2-CB 3.83Å; L369-P442 HydrophobicContact CG-CB 3.92Å; L369-P442 HydrophobicContact CG-CG 4.3Å; L373-P442 HydrophobicContact CD2-CG 4.06Å; C406-P442 WeakPolarHBondContact CB-O 3.42Å; C406-P442 WeakPolarHBondContact O-CD 3.3Å; P442-N447 WeakPolarHBondContact CA-OD1 3.29Å; P442-N447 HydrophobicContact CB-CB 4.25Å; P442-V452 HydrophobicContact CB-CG2 3.98Å; P442-V452 HydrophobicContact CG-CG2 4.27Å
443V98.7Very high96.2Very high4 Ų425 Ų252%0.02413%0.126CC..  trans-100.4141-177.2-50.50000111.8Y282 C406 A441 L445 Y446 N447Y282-V443 HydrophobicContact CD1-CG1 3.77Å; Y282-V443 HydrophobicContact CE1-CG1 3.66Å; C406-V443 HydrophobicContact CB-CG1 4.4Å; A441-V443 PolarHBondContact O-N 3Å; V443-L445 VanDerWaalsContact C-N 3.26Å; V443-L445 PolarHBondContact O-N 2.9Å; V443-Y446 HydrophobicContact CG2-CD1 3.92Å; V443-Y446 HydrophobicContact CG2-CD2 3.63Å; V443-Y446 HydrophobicContact CG2-CE1 3.49Å; V443-Y446 VanDerWaalsContact CG2-CE1 3.49Å; V443-Y446 HydrophobicContact CG2-CE2 3.17Å; V443-Y446 HydrophobicContact CG2-CG 3.99Å; V443-Y446 PolarHBondContact O-N 3.43Å; V443-N447 PolarHBondContact N-OD1 3.11Å; V443-N447 VanDerWaalsContact O-CB 3.32Å; V443-N447 WeakPolarHBondContact O-CB 3.46Å; V443-N447 PolarHBondContact O-N 3.4Å
444P98.7Very high96.6Very high8 Ų823.3 Ų23.35%0.05212%0.12CC..THydrogen-bonded Turntrans-68.1-21.3-170.327.1-36.8000114.2L362 K365L362-P444 HydrophobicContact CB-CB 4.46Å; L362-P444 HydrophobicContact CB-CG 3.94Å; L362-P444 HydrophobicContact CD2-CB 4.1Å; L362-P444 HydrophobicContact CD2-CG 3.97Å; L362-P444 WeakPolarHBondContact O-CB 3.31Å; L362-P444 WeakPolarHBondContact O-CG 3.39Å; K365-P444 HydrophobicContact CB-CB 3.9Å; K365-P444 HydrophobicContact CD-CB 3.71Å; K365-P444 WeakPolarHBondContact CD-O 3.29Å; K365-P444 WeakPolarHBondContact CE-O 3.33Å; K365-P444 HydrophobicContact CG-CB 3.82Å; K365-P444 PolarHBondContact NZ-O 2.94Å
445L98.8Very high97.2Very high7 Ų717.9 Ų17.94%0.0379%0.094CC..THydrogen-bonded Turntrans-67.4-37.4-177.8-75.1169.9000113.3L47 R48 F51 N284 V353 F354 L362 V443L47-L445 CarbonylContact C-O 3.58Å; L47-L445 HydrophobicContact CD1-CD2 3.89Å; R48-L445 WeakPolarHBondContact CA-O 3.43Å; R48-L445 PolarHBondContact N-O 2.99Å; R48-L445 VanDerWaalsContact N-O 3.11Å; F51-L445 HydrophobicContact CE2-CB 3.89Å; F51-L445 HydrophobicContact CE2-CD2 4.49Å; F51-L445 HydrophobicContact CZ-CB 4.15Å; F51-L445 HydrophobicContact CZ-CD1 4.06Å; N284-L445 WeakPolarHBondContact ND2-CD1 3.1Å; V353-L445 HydrophobicContact CG1-CD2 4.19Å; F354-L445 HydrophobicContact CE1-CD1 4.18Å; F354-L445 HydrophobicContact CE2-CD1 3.81Å; F354-L445 HydrophobicContact CZ-CD1 3.63Å; L362-L445 HydrophobicContact CD1-CD2 4.34Å; L362-L445 HydrophobicContact CD2-CD2 3.65Å; L362-L445 HydrophobicContact CD2-CG 4.01Å; V443-L445 VanDerWaalsContact C-N 3.26Å; V443-L445 PolarHBondContact O-N 2.9Å
446Y98.8Very high97.9Very high2 Ų213.6 Ų13.61%0.0087%0.066CC..THydrogen-bonded Turntrans-145-4.6-169.752.4-110.1000115.2R48 F51 Y75 G78 L83 V443R48-Y446 WeakPolarHBondContact CD-O 3.4Å; R48-Y446 WeakPolarHBondContact CG-O 3.39Å; R48-Y446 PolarHBondContact NE-O 2.93Å; R48-Y446 VanDerWaalsContact NE-O 3.11Å; F51-Y446 HydrophobicContact CB-CD1 4.5Å; F51-Y446 AromaticContact CD1-CD1 3.9Å; F51-Y446 HydrophobicContact CD1-CD1 3.9Å; F51-Y446 HydrophobicContact CD1-CE1 4.33Å; F51-Y446 AromaticContact CD2-CD1 3.89Å; F51-Y446 HydrophobicContact CD2-CD1 3.89Å; F51-Y446 HydrophobicContact CD2-CG 4.4Å; F51-Y446 HydrophobicContact CE1-CD1 4.06Å; F51-Y446 HydrophobicContact CE1-CE1 4.33Å; F51-Y446 HydrophobicContact CE2-CD1 4.04Å; F51-Y446 AromaticContact CG-CD1 3.82Å; F51-Y446 HydrophobicContact CG-CD1 3.82Å; F51-Y446 HydrophobicContact CG-CG 4.38Å; F51-Y446 HydrophobicContact CZ-CD1 4.14Å; Y75-Y446 HydrophobicContact CD1-CE2 4.1Å; G78-Y446 WeakPolarHBondContact CA-OH 3.38Å; L83-Y446 HydrophobicContact CB-CD1 4.24Å; L83-Y446 HydrophobicContact CB-CE1 3.92Å; L83-Y446 HydrophobicContact CB-CE2 4.39Å; L83-Y446 HydrophobicContact CD1-CD1 4.31Å; L83-Y446 HydrophobicContact CD1-CD2 3.51Å; L83-Y446 HydrophobicContact CD1-CE1 4.42Å; L83-Y446 HydrophobicContact CD1-CE2 3.63Å; L83-Y446 HydrophobicContact CD1-CG 3.85Å; L83-Y446 HydrophobicContact CG-CD2 4.14Å; L83-Y446 HydrophobicContact CG-CE1 4.2Å; L83-Y446 HydrophobicContact CG-CE2 3.75Å; L83-Y446 HydrophobicContact CG-CG 4.49Å; L83-Y446 PolarHBondContact N-OH 2.91Å; V443-Y446 HydrophobicContact CG2-CD1 3.92Å; V443-Y446 HydrophobicContact CG2-CD2 3.63Å; V443-Y446 HydrophobicContact CG2-CE1 3.49Å; V443-Y446 VanDerWaalsContact CG2-CE1 3.49Å; V443-Y446 HydrophobicContact CG2-CE2 3.17Å; V443-Y446 HydrophobicContact CG2-CG 3.99Å; V443-Y446 PolarHBondContact O-N 3.43Å
447N98.9Very high98.4Very high5 Ų515.5 Ų15.53%0.0277%0.069CC..  trans-92.2144.2168-62.9120.8000111.3Y75 K365 L369 P442 V443Y75-N447 PolarHBondContact O-ND2 3.27Å; Y75-N447 PolarHBondContact O-OD1 3.07Å; K365-N447 WeakPolarHBondContact CE-O 3.49Å; K365-N447 PolarHBondContact NZ-O 3.14Å; L369-N447 HydrophobicContact CD2-CB 4.19Å; P442-N447 WeakPolarHBondContact CA-OD1 3.29Å; P442-N447 HydrophobicContact CB-CB 4.25Å; V443-N447 PolarHBondContact N-OD1 3.11Å; V443-N447 VanDerWaalsContact O-CB 3.32Å; V443-N447 WeakPolarHBondContact O-CB 3.46Å; V443-N447 PolarHBondContact O-N 3.4Å
448S98.8Very high98.5Very high19 Ų1916.2 Ų16.213%0.1337%0.074CC..  trans-105.2162.4177.460.30000110.9D39 R450 D451 V452D39-S448 WeakPolarHBondContact OD1-CA 3.07Å; D39-S448 VanDerWaalsContact OD1-CB 3.27Å; D39-S448 WeakPolarHBondContact OD1-CB 3.15Å; D39-S448 WeakPolarHBondContact OD2-CB 3.5Å; S448-R450 PolarHBondContact O-N 3.48Å; S448-D451 PolarHBondContact N-OD2 2.84Å; S448-D451 WeakPolarHBondContact O-CB 3.48Å; S448-D451 PolarHBondContact O-N 2.9Å; S448-D451 PolarHBondContact OG-N 3.44Å; S448-D451 PolarHBondContact OG-OD2 3.46Å; S448-V452 PolarHBondContact O-N 2.8Å
449F98.8Very high98.6Very high0 Ų016.2 Ų16.20%07%0.074CC..Hα-helixtrans-64.1-31.4169.5-68.5-89.5000110.9F10 A35 F38 D39 L368 L369 Y372 V452 H453F10-F449 HydrophobicContact CE1-CE2 4.06Å; F10-F449 AromaticContact CE1-CZ 3.94Å; F10-F449 HydrophobicContact CE1-CZ 3.94Å; F10-F449 HydrophobicContact CZ-CE2 4.2Å; F10-F449 HydrophobicContact CZ-CZ 4.35Å; A35-F449 HydrophobicContact CB-CB 4.07Å; F38-F449 HydrophobicContact CB-CB 3.94Å; F38-F449 HydrophobicContact CB-CD1 3.76Å; F38-F449 HydrophobicContact CB-CD2 3.37Å; F38-F449 HydrophobicContact CB-CE1 4.08Å; F38-F449 HydrophobicContact CB-CE2 3.72Å; F38-F449 HydrophobicContact CB-CG 3.39Å; F38-F449 HydrophobicContact CB-CZ 4.07Å; F38-F449 AromaticContact CD2-CD1 3.68Å; F38-F449 HydrophobicContact CD2-CD1 3.68Å; F38-F449 HydrophobicContact CD2-CE1 4.04Å; F38-F449 HydrophobicContact CD2-CG 4.1Å; F38-F449 AromaticContact CG-CD1 3.99Å; F38-F449 HydrophobicContact CG-CD1 3.99Å; F38-F449 HydrophobicContact CG-CD2 4.4Å; F38-F449 HydrophobicContact CG-CE1 4.13Å; F38-F449 HydrophobicContact CG-CG 4.14Å; F38-F449 HydrophobicContact CG-CZ 4.4Å; D39-F449 WeakPolarHBondContact OD1-CD2 3.34Å; D39-F449 PolarHBondContact OD1-N 3.22Å; D39-F449 PolarHBondContact OD2-N 3.35Å; L368-F449 HydrophobicContact CB-CE1 4.36Å; L368-F449 HydrophobicContact CB-CZ 4.24Å; L368-F449 HydrophobicContact CD2-CE1 4.2Å; L368-F449 HydrophobicContact CD2-CZ 3.94Å; L368-F449 HydrophobicContact CG-CE1 3.8Å; L368-F449 HydrophobicContact CG-CZ 3.91Å; L369-F449 VanDerWaalsContact CA-CE1 3.5Å; L369-F449 HydrophobicContact CB-CE1 4.03Å; L369-F449 HydrophobicContact CB-CZ 4.14Å; L369-F449 HydrophobicContact CD1-CB 4.38Å; L369-F449 HydrophobicContact CD1-CD1 3.65Å; L369-F449 HydrophobicContact CD1-CD2 4.2Å; L369-F449 HydrophobicContact CD1-CE1 3.87Å; L369-F449 HydrophobicContact CD1-CE2 4.4Å; L369-F449 HydrophobicContact CD1-CG 3.83Å; L369-F449 HydrophobicContact CD1-CZ 4.25Å; Y372-F449 HydrophobicContact CD1-CB 4.43Å; Y372-F449 AromaticContact CD1-CD1 3.87Å; Y372-F449 HydrophobicContact CD1-CD1 3.87Å; Y372-F449 HydrophobicContact CE1-CB 4.48Å; Y372-F449 HydrophobicContact CG-CD1 4.23Å; F449-V452 WeakPolarHBondContact O-CB 3.29Å; F449-V452 PolarHBondContact O-N 2.93Å; F449-H453 PolarHBondContact O-N 2.61Å
450R98.5Very high98.5Very high115 Ų11517 Ų1743%0.4348%0.083SC..Hα-helixtrans-65.3-34171.6-164.8164.7-169.2-178.93.8113.4E32 D36 D39 S448 V452 H453 R454E32-R450 IonicContact OE1-CZ 3.51Å; E32-R450 IonicContact OE1-NE 3.21Å; E32-R450 PolarHBondContact OE1-NE 3.09Å; E32-R450 IonicContact OE1-NH2 2.81Å; E32-R450 PolarHBondContact OE1-NH2 2.93Å; D36-R450 IonicContact OD1-CZ 2.89Å; D36-R450 IonicContact OD1-NE 3.48Å; D36-R450 IonicContact OD1-NH1 3.1Å; D39-R450 VanDerWaalsContact OD2-CB 3.28Å; D39-R450 WeakPolarHBondContact OD2-CB 3.44Å; D39-R450 PolarHBondContact OD2-N 3.16Å; S448-R450 PolarHBondContact O-N 3.48Å; R450-V452 VanDerWaalsContact C-N 3.3Å; R450-V452 PolarHBondContact O-N 2.85Å; R450-H453 PolarHBondContact O-N 3.06Å; R450-R454 HydrophobicContact CG-CG 4.43Å; R450-R454 WeakPolarHBondContact O-CB 3.49Å; R450-R454 VanDerWaalsContact O-CG 3.23Å; R450-R454 WeakPolarHBondContact O-CG 3.48Å; R450-R454 PolarHBondContact O-N 3.49Å
451D98.8Very high98.5Very high5 Ų523 Ų233%0.02711%0.109CC..Hα-helixtrans-62.8-38.8171.5-66.7-44.1000111.4S448 R454 F455S448-D451 PolarHBondContact N-OD2 2.84Å; S448-D451 WeakPolarHBondContact O-CB 3.48Å; S448-D451 PolarHBondContact O-N 2.9Å; S448-D451 PolarHBondContact OG-N 3.44Å; S448-D451 PolarHBondContact OG-OD2 3.46Å; D451-R454 IonicContact OD1-NH1 2.86Å; D451-R454 PolarHBondContact OD1-NH1 3.05Å; D451-F455 VanDerWaalsContact O-CB 3.32Å; D451-F455 WeakPolarHBondContact O-CB 3.26Å; D451-F455 PolarHBondContact O-N 2.65Å
452V98.8Very high98.4Very high1 Ų123 Ų231%0.00611%0.109CC..Hα-helixtrans-64.6-43.8174.4168.40000111.1L369 Y372 L373 L376 P442 S448 F449 R450 F455 I456L369-V452 HydrophobicContact CD1-CG2 3.63Å; L369-V452 HydrophobicContact CG-CG2 4.18Å; Y372-V452 HydrophobicContact CD1-CB 4.04Å; Y372-V452 HydrophobicContact CD1-CG1 3.55Å; Y372-V452 HydrophobicContact CE1-CB 4.37Å; Y372-V452 HydrophobicContact CE1-CG1 3.98Å; Y372-V452 HydrophobicContact CG-CG1 4.43Å; L373-V452 HydrophobicContact CB-CG1 3.67Å; L373-V452 HydrophobicContact CB-CG2 4.35Å; L373-V452 HydrophobicContact CD1-CG1 3.97Å; L373-V452 HydrophobicContact CG-CG1 4.44Å; L376-V452 HydrophobicContact CD1-CG1 4.33Å; P442-V452 HydrophobicContact CB-CG2 3.98Å; P442-V452 HydrophobicContact CG-CG2 4.27Å; S448-V452 PolarHBondContact O-N 2.8Å; F449-V452 WeakPolarHBondContact O-CB 3.29Å; F449-V452 PolarHBondContact O-N 2.93Å; R450-V452 VanDerWaalsContact C-N 3.3Å; R450-V452 PolarHBondContact O-N 2.85Å; V452-F455 WeakPolarHBondContact O-CB 3.48Å; V452-F455 PolarHBondContact O-N 3.08Å; V452-I456 WeakPolarHBondContact O-CG1 3.41Å; V452-I456 PolarHBondContact O-N 2.85Å
453H98.6Very high98.3Very high11 Ų1123.4 Ų23.45%0.05111%0.111CC..Hα-helixtrans-64.6-48.4177.8-169-83.3000111.8T30 E32 A35 Y372 F449 R450 F455 I456 E457T30-H453 PolarHBondContact O-NE2 3.43Å; E32-H453 PolarHBondContact N-NE2 3.26Å; A35-H453 HydrophobicContact CB-CB 3.98Å; Y372-H453 PolarHBondContact OH-CD2 2.98Å; F449-H453 PolarHBondContact O-N 2.61Å; R450-H453 PolarHBondContact O-N 3.06Å; H453-F455 PolarHBondContact O-N 3.39Å; H453-I456 PolarHBondContact O-N 3.34Å; H453-E457 IonicContact CE1-OE1 2.69Å; H453-E457 PolarHBondContact CE1-OE1 3.19Å; H453-E457 VanDerWaalsContact CE1-OE1 3.28Å; H453-E457 IonicContact ND1-OE1 2.84Å; H453-E457 PolarHBondContact O-N 3.41Å; H453-E457 VanDerWaalsContact O-N 3.1Å
454R98.4Very high98.1Very high47 Ų4726.5 Ų26.518%0.17714%0.137CC..Hα-helixtrans-56.6-37.2173.3-71.1170.369.1-148.35.5112.5E72 I74 R450 D451 T458E72-R454 PolarHBondContact O-NH1 2.84Å; E72-R454 PolarHBondContact O-NH2 3.19Å; I74-R454 HydrophobicContact CD1-CB 3.75Å; I74-R454 HydrophobicContact CG1-CB 4.28Å; R450-R454 HydrophobicContact CG-CG 4.43Å; R450-R454 WeakPolarHBondContact O-CB 3.49Å; R450-R454 VanDerWaalsContact O-CG 3.23Å; R450-R454 WeakPolarHBondContact O-CG 3.48Å; R450-R454 PolarHBondContact O-N 3.49Å; D451-R454 IonicContact OD1-NH1 2.86Å; D451-R454 PolarHBondContact OD1-NH1 3.05Å; R454-T458 VanDerWaalsContact O-CB 3.31Å; R454-T458 WeakPolarHBondContact O-CB 3.45Å; R454-T458 PolarHBondContact O-N 3.43Å; R454-T458 PolarHBondContact O-OG1 3.02Å
455F98.7Very high97.9Very high0 Ų027.6 Ų27.60%015%0.147CC..Hα-helixtrans-63.6-46.1174.6171.3-104.2000111.5I74 L76 L373 L423 V428 I440 D451 V452 H453 E457 T458 L459I74-F455 HydrophobicContact CG2-CB 4.01Å; L76-F455 HydrophobicContact CD1-CB 3.84Å; L76-F455 HydrophobicContact CD1-CD1 4.28Å; L76-F455 HydrophobicContact CD1-CD2 3.54Å; L76-F455 HydrophobicContact CD1-CE2 4.18Å; L76-F455 HydrophobicContact CD1-CG 3.59Å; L373-F455 HydrophobicContact CD1-CD1 3.56Å; L373-F455 HydrophobicContact CD1-CE1 3.78Å; L423-F455 HydrophobicContact CD1-CE2 4.41Å; L423-F455 HydrophobicContact CD2-CE2 4.17Å; V428-F455 HydrophobicContact CG1-CD2 3.97Å; V428-F455 HydrophobicContact CG1-CE2 4.13Å; V428-F455 HydrophobicContact CG2-CD2 4.45Å; I440-F455 HydrophobicContact CD1-CE2 3.8Å; I440-F455 HydrophobicContact CD1-CZ 3.76Å; I440-F455 HydrophobicContact CG1-CE1 4.42Å; I440-F455 HydrophobicContact CG1-CE2 4.34Å; I440-F455 HydrophobicContact CG1-CZ 3.79Å; I440-F455 HydrophobicContact CG2-CE1 4.17Å; I440-F455 HydrophobicContact CG2-CZ 4.17Å; D451-F455 VanDerWaalsContact O-CB 3.32Å; D451-F455 WeakPolarHBondContact O-CB 3.26Å; D451-F455 PolarHBondContact O-N 2.65Å; V452-F455 WeakPolarHBondContact O-CB 3.48Å; V452-F455 PolarHBondContact O-N 3.08Å; H453-F455 PolarHBondContact O-N 3.39Å; F455-E457 VanDerWaalsContact C-N 3.34Å; F455-E457 PolarHBondContact O-N 2.72Å; F455-T458 CarbonylContact O-C 3.3Å; F455-T458 PolarHBondContact O-N 3.13Å; F455-L459 HydrophobicContact CE1-CD2 4.13Å; F455-L459 HydrophobicContact CZ-CB 4.45Å; F455-L459 HydrophobicContact CZ-CD2 4.23Å; F455-L459 VanDerWaalsContact O-CB 3.31Å; F455-L459 WeakPolarHBondContact O-CB 3.39Å; F455-L459 PolarHBondContact O-N 2.65Å
456I98.6Very high97.6Very high4 Ų427.4 Ų27.42%0.02115%0.146CC..Hα-helixtrans-63-40.3-178.9-71.3-70.4000112L373 L376 I377 Y380 Y381 V452 H453 L459 G460L373-I456 HydrophobicContact CD1-CD1 4Å; L373-I456 HydrophobicContact CD1-CG1 4.32Å; L376-I456 HydrophobicContact CB-CB 4.47Å; L376-I456 HydrophobicContact CB-CD1 3.78Å; L376-I456 HydrophobicContact CB-CG1 3.68Å; L376-I456 HydrophobicContact CB-CG2 4.19Å; L376-I456 HydrophobicContact CD1-CB 4.21Å; L376-I456 HydrophobicContact CD1-CG1 3.73Å; L376-I456 HydrophobicContact CD1-CG2 4.39Å; L376-I456 HydrophobicContact CG-CG1 4.38Å; I377-I456 HydrophobicContact CG1-CD1 3.66Å; Y380-I456 HydrophobicContact CD2-CG2 3.87Å; Y380-I456 HydrophobicContact CE2-CG2 4.21Å; Y381-I456 HydrophobicContact CE2-CD1 4.32Å; Y381-I456 HydrophobicContact CE2-CG2 4.17Å; Y381-I456 PolarHBondContact OH-O 3.12Å; V452-I456 WeakPolarHBondContact O-CG1 3.41Å; V452-I456 PolarHBondContact O-N 2.85Å; H453-I456 PolarHBondContact O-N 3.34Å; I456-L459 PolarHBondContact O-N 2.93Å; I456-G460 PolarHBondContact O-N 2.92Å; I456-G460 VanDerWaalsContact O-N 3.15Å
457E98Very high96.8Very high93 Ų9330.6 Ų30.644%0.43517%0.169SC..Hα-helixtrans-65.3-44.7174.2-65.2-172.4152.200111.7H453 F455 L459 G460 K461H453-E457 IonicContact CE1-OE1 2.69Å; H453-E457 PolarHBondContact CE1-OE1 3.19Å; H453-E457 VanDerWaalsContact CE1-OE1 3.28Å; H453-E457 IonicContact ND1-OE1 2.84Å; H453-E457 PolarHBondContact O-N 3.41Å; H453-E457 VanDerWaalsContact O-N 3.1Å; F455-E457 VanDerWaalsContact C-N 3.34Å; F455-E457 PolarHBondContact O-N 2.72Å; E457-L459 VanDerWaalsContact C-N 3.32Å; E457-L459 PolarHBondContact O-N 2.72Å; E457-G460 PolarHBondContact O-N 3.3Å; E457-K461 PolarHBondContact O-N 3.37Å
458T98.3Very high95Very high16 Ų1637 Ų3710%0.09821%0.214CC..Hα-helixtrans-64.6-37.6177.9-58.80000111.6L423 R426 V428 R454 F455 G460 K461 A462L423-T458 HydrophobicContact CD2-CG2 4.12Å; R426-T458 HydrophobicContact CB-CG2 3.57Å; R426-T458 HydrophobicContact CG-CG2 4.45Å; V428-T458 HydrophobicContact CG2-CG2 3.62Å; R454-T458 VanDerWaalsContact O-CB 3.31Å; R454-T458 WeakPolarHBondContact O-CB 3.45Å; R454-T458 PolarHBondContact O-N 3.43Å; R454-T458 PolarHBondContact O-OG1 3.02Å; F455-T458 CarbonylContact O-C 3.3Å; F455-T458 PolarHBondContact O-N 3.13Å; T458-G460 VanDerWaalsContact C-N 3.34Å; T458-G460 PolarHBondContact O-N 3.13Å; T458-K461 PolarHBondContact O-N 3.28Å; T458-A462 WeakPolarHBondContact O-CB 3.49Å; T458-A462 PolarHBondContact O-N 3.04Å
459L98.2Very high94.8Very high0 Ų037.9 Ų37.90%022%0.218CC..Hα-helixtrans-61-43.2174.5178.760.6000111.1Y381 F412 V419 L423 F455 I456 E457 K461 A462 L463Y381-L459 HydrophobicContact CD2-CD2 3.93Å; Y381-L459 HydrophobicContact CE2-CB 4.49Å; Y381-L459 HydrophobicContact CE2-CD2 3.8Å; Y381-L459 HydrophobicContact CE2-CG 4.16Å; F412-L459 HydrophobicContact CE1-CD1 4.02Å; V419-L459 HydrophobicContact CG1-CD1 4.13Å; L423-L459 HydrophobicContact CD1-CD1 4.37Å; L423-L459 HydrophobicContact CD2-CB 4.44Å; L423-L459 HydrophobicContact CD2-CD1 4.29Å; F455-L459 HydrophobicContact CE1-CD2 4.13Å; F455-L459 HydrophobicContact CZ-CB 4.45Å; F455-L459 HydrophobicContact CZ-CD2 4.23Å; F455-L459 VanDerWaalsContact O-CB 3.31Å; F455-L459 WeakPolarHBondContact O-CB 3.39Å; F455-L459 PolarHBondContact O-N 2.65Å; I456-L459 PolarHBondContact O-N 2.93Å; E457-L459 VanDerWaalsContact C-N 3.32Å; E457-L459 PolarHBondContact O-N 2.72Å; L459-K461 VanDerWaalsContact C-N 3.34Å; L459-K461 PolarHBondContact O-N 3.43Å; L459-A462 PolarHBondContact O-N 3.4Å; L459-L463 HydrophobicContact CD1-CD1 4.3Å; L459-L463 HydrophobicContact CD1-CD2 4.44Å; L459-L463 HydrophobicContact CD1-CG 4.06Å; L459-L463 HydrophobicContact CG-CD1 4.11Å; L459-L463 HydrophobicContact CG-CG 4.32Å; L459-L463 WeakPolarHBondContact O-CB 3.45Å; L459-L463 VanDerWaalsContact O-CG 3.29Å; L459-L463 WeakPolarHBondContact O-CG 3.36Å; L459-L463 PolarHBondContact O-N 3.44Å
460G97.2Very high94.6Very high21 Ų2139.8 Ų39.822%0.21623%0.229CC..Hα-helixtrans-59.4-44.2175.600000112.4Y381 I456 E457 T458 L463 A464Y381-G460 WeakPolarHBondContact OH-CA 3.42Å; Y381-G460 PolarHBondContact OH-N 3.36Å; Y381-G460 VanDerWaalsContact OH-N 3.08Å; I456-G460 PolarHBondContact O-N 2.92Å; I456-G460 VanDerWaalsContact O-N 3.15Å; E457-G460 PolarHBondContact O-N 3.3Å; T458-G460 VanDerWaalsContact C-N 3.34Å; T458-G460 PolarHBondContact O-N 3.13Å; G460-L463 PolarHBondContact O-N 3.12Å; G460-A464 WeakPolarHBondContact O-CB 3.46Å; G460-A464 PolarHBondContact O-N 2.84Å
461K97.3Very high94.4Very high125 Ų12535.7 Ų35.754%0.54322%0.218SC..Hα-helixtrans-63.1-41.1174.8-65.2171.2-175.11690112E457 T458 L459 A465E457-K461 PolarHBondContact O-N 3.37Å; T458-K461 PolarHBondContact O-N 3.28Å; L459-K461 VanDerWaalsContact C-N 3.34Å; L459-K461 PolarHBondContact O-N 3.43Å; K461-A465 PolarHBondContact O-N 2.99Å; K461-A465 VanDerWaalsContact O-N 3.12Å
462A97.3Very high94.1Very high0 Ų037.5 Ų37.50%023%0.229CC..Hα-helixtrans-68.1-41.6179.300000112.3E422 L423 T458 L459 A465 S466E422-A462 HydrophobicContact CB-CB 3.77Å; L423-A462 HydrophobicContact CD2-CB 3.84Å; L423-A462 HydrophobicContact CG-CB 3.89Å; T458-A462 WeakPolarHBondContact O-CB 3.49Å; T458-A462 PolarHBondContact O-N 3.04Å; L459-A462 PolarHBondContact O-N 3.4Å; A462-A465 PolarHBondContact O-N 3.48Å; A462-S466 VanDerWaalsContact O-CB 3.26Å; A462-S466 WeakPolarHBondContact O-CB 3.41Å; A462-S466 PolarHBondContact O-N 3.05Å; A462-S466 PolarHBondContact O-OG 3.22Å
463L96.1Very high93.8Very high8 Ų839.8 Ų39.84%0.04224%0.243CC..Hα-helixtrans-62.9-44.5175.1-69.5175.4000111.2Y381 A391 V393 F412 I414 V419 L459 G460 A465 S466 S467Y381-L463 HydrophobicContact CD1-CD1 3.69Å; Y381-L463 HydrophobicContact CE1-CD1 3.84Å; Y381-L463 HydrophobicContact CG-CD1 4.24Å; A391-L463 HydrophobicContact CB-CB 4.5Å; A391-L463 HydrophobicContact CB-CD2 4.26Å; V393-L463 HydrophobicContact CG2-CD1 4.39Å; F412-L463 HydrophobicContact CD1-CD2 3.85Å; F412-L463 HydrophobicContact CE1-CD2 4.21Å; I414-L463 HydrophobicContact CD1-CD2 3.91Å; I414-L463 HydrophobicContact CG1-CD2 4.43Å; V419-L463 HydrophobicContact CG1-CD2 4.14Å; V419-L463 HydrophobicContact CG2-CD2 3.94Å; L459-L463 HydrophobicContact CD1-CD1 4.3Å; L459-L463 HydrophobicContact CD1-CD2 4.44Å; L459-L463 HydrophobicContact CD1-CG 4.06Å; L459-L463 HydrophobicContact CG-CD1 4.11Å; L459-L463 HydrophobicContact CG-CG 4.32Å; L459-L463 WeakPolarHBondContact O-CB 3.45Å; L459-L463 VanDerWaalsContact O-CG 3.29Å; L459-L463 WeakPolarHBondContact O-CG 3.36Å; L459-L463 PolarHBondContact O-N 3.44Å; G460-L463 PolarHBondContact O-N 3.12Å; L463-A465 PolarHBondContact O-N 2.87Å; L463-S466 PolarHBondContact O-N 2.84Å; L463-S467 PolarHBondContact O-N 3.44Å; L463-S467 VanDerWaalsContact O-N 3.12Å; L463-S467 PolarHBondContact O-OG 3.03Å; L463-S467 VanDerWaalsContact O-OG 3.05Å
464A94.6Very high93.5Very high70 Ų7041.7 Ų41.758%0.57926%0.256SS*.Hα-helixtrans-59.6-4417700000112.3G460 S466G460-A464 WeakPolarHBondContact O-CB 3.46Å; G460-A464 PolarHBondContact O-N 2.84Å; A464-S466 VanDerWaalsContact C-N 3.35Å
465A95.1Very high93.2Very high30 Ų3041.3 Ų41.325%0.24826%0.261CS..Hα-helixtrans-73.7-23.3177.900000113.9E422 K461 A462 L463 S468E422-A465 HydrophobicContact CG-CB 4.1Å; E422-A465 WeakPolarHBondContact OE2-CB 3.29Å; K461-A465 PolarHBondContact O-N 2.99Å; K461-A465 VanDerWaalsContact O-N 3.12Å; A462-A465 PolarHBondContact O-N 3.48Å; L463-A465 PolarHBondContact O-N 2.87Å; A465-S468 PolarHBondContact O-OG 2.89Å
466S92.1Very high92.7Very high4 Ų444.5 Ų44.53%0.02828%0.281CS..Hα-helixtrans-82.2-23.3178.8-630000113R418 V419 A462 L463 A464R418-S466 VanDerWaalsContact C-OG 3.31Å; R418-S466 PolarHBondContact NH1-O 2.87Å; R418-S466 PolarHBondContact O-OG 3.11Å; V419-S466 WeakPolarHBondContact CA-OG 3.37Å; V419-S466 PolarHBondContact N-OG 2.96Å; A462-S466 VanDerWaalsContact O-CB 3.26Å; A462-S466 WeakPolarHBondContact O-CB 3.41Å; A462-S466 PolarHBondContact O-N 3.05Å; A462-S466 PolarHBondContact O-OG 3.22Å; L463-S466 PolarHBondContact O-N 2.84Å; A464-S466 VanDerWaalsContact C-N 3.35Å
467S81.4Confident92.3Very high68 Ų6847.8 Ų47.848%0.47630%0.303SS..  trans-84.7-13.8178.2-63.30000113.8L463L463-S467 PolarHBondContact O-N 3.44Å; L463-S467 VanDerWaalsContact O-N 3.12Å; L463-S467 PolarHBondContact O-OG 3.03Å; L463-S467 VanDerWaalsContact O-OG 3.05Å
468S61.6Low91.7Very high139 Ų13943.7 Ų43.797%0.97229%0.291SS*.  trans-800176.2540000114.5A465A465-S468 PolarHBondContact O-OG 2.89Å

Retrieved 468 of 468 residues in 1217 ms (Link to these results)

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