A0A5K4F2M2_SCHMA Loading...

MYND-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2M2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 500 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
1M41.3Very low48.2Very low159 Ų15991.4 Ų91.478%0.78346%0.462SS*.  092.40-70.8-176.3133.300109.1E5 I6 E9M1-E5 VanDerWaalsContact C-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 PolarHBondContact N-OE2 3.43Å; M1-I6 HydrophobicContact CB-CD1 3.95Å; M1-I6 HydrophobicContact CB-CG1 4.09Å; M1-I6 HydrophobicContact CE-CG1 4.01Å; M1-I6 HydrophobicContact CG-CG1 4.31Å; M1-I6 HydrophobicContact SD-CD1 4.17Å; M1-I6 HydrophobicContact SD-CG1 4.01Å; M1-E9 WeakPolarHBondContact CE-OE2 3.36Å
2T41.4Very low49.6Very low87 Ų8784.1 Ų84.153%0.53443%0.425SS..  trans-72.7163.616158.90000109.5K4 E5T2-K4 PolarHBondContact O-N 3.11Å; T2-K4 VanDerWaalsContact O-N 3.14Å; T2-E5 PolarHBondContact N-OE2 3.48Å; T2-E5 PolarHBondContact O-N 2.8Å; T2-E5 VanDerWaalsContact O-N 3.09Å; T2-E5 WeakPolarHBondContact OG1-CG 3.38Å; T2-E5 PolarHBondContact OG1-OE2 3.46Å; T2-E5 VanDerWaalsContact OG1-OE2 3.14Å
3A45.5Very low50.7Low37 Ų3783.5 Ų83.531%0.30643%0.433SS..Hα-helixtrans-56.4-32-179.300000113.4Q7 Y21 L25A3-Q7 PolarHBondContact O-N 2.93Å; A3-Y21 PolarHBondContact O-OH 3.49Å; A3-L25 HydrophobicContact CB-CD2 4.25Å
4K49.2Very low52.6Low164 Ų16482.2 Ų82.271%0.71343%0.427SS*.Hα-helixtrans-68.3-40.3175.8-77.3-173.9172.6-179.60113.9T2 I6 Q7T2-K4 PolarHBondContact O-N 3.11Å; T2-K4 VanDerWaalsContact O-N 3.14Å; K4-I6 PolarHBondContact O-N 3.29Å; K4-Q7 PolarHBondContact O-N 3.5Å; K4-Q7 VanDerWaalsContact O-N 3.14Å
5E44.7Very low54.4Low110 Ų11077.7 Ų77.751%0.51440%0.402SS..Hα-helixtrans-65.2-27.4-176.9-71.7167.8134.600112.4M1 T2M1-E5 VanDerWaalsContact C-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 PolarHBondContact N-OE2 3.43Å; T2-E5 PolarHBondContact N-OE2 3.48Å; T2-E5 PolarHBondContact O-N 2.8Å; T2-E5 VanDerWaalsContact O-N 3.09Å; T2-E5 WeakPolarHBondContact OG1-CG 3.38Å; T2-E5 PolarHBondContact OG1-OE2 3.46Å; T2-E5 VanDerWaalsContact OG1-OE2 3.14Å
6I49.1Very low56.1Low27 Ų2779.9 Ų79.914%0.13841%0.41CS..Hα-helixtrans-89.5-20.8176.5-58167.8000111.7M1 K4 D8 E9 A10 Y21M1-I6 HydrophobicContact CB-CD1 3.95Å; M1-I6 HydrophobicContact CB-CG1 4.09Å; M1-I6 HydrophobicContact CE-CG1 4.01Å; M1-I6 HydrophobicContact CG-CG1 4.31Å; M1-I6 HydrophobicContact SD-CD1 4.17Å; M1-I6 HydrophobicContact SD-CG1 4.01Å; K4-I6 PolarHBondContact O-N 3.29Å; I6-D8 PolarHBondContact O-N 2.89Å; I6-D8 VanDerWaalsContact O-N 3.12Å; I6-E9 PolarHBondContact O-N 2.96Å; I6-A10 PolarHBondContact O-N 3.21Å; I6-Y21 HydrophobicContact CB-CD2 4.06Å; I6-Y21 HydrophobicContact CB-CE2 3.91Å; I6-Y21 HydrophobicContact CG2-CD2 3.47Å; I6-Y21 VanDerWaalsContact CG2-CD2 3.47Å; I6-Y21 HydrophobicContact CG2-CE2 3.79Å; I6-Y21 HydrophobicContact CG2-CG 4.28Å
7Q49.8Very low57.7Low38 Ų3879.1 Ų79.118%0.17841%0.41CS..Hα-helixtrans-66.5-18.4-172.3-160.2166.625.300113.6A3 K4 K45A3-Q7 PolarHBondContact O-N 2.93Å; K4-Q7 PolarHBondContact O-N 3.5Å; K4-Q7 VanDerWaalsContact O-N 3.14Å; Q7-K45 PolarHBondContact O-NZ 3.34Å
8D50.4Low59.1Low138 Ų13874.7 Ų74.774%0.73839%0.388SS*.THydrogen-bonded Turntrans-104.4-8.8172.9-68.1-31.4000114I6 K45I6-D8 PolarHBondContact O-N 2.89Å; I6-D8 VanDerWaalsContact O-N 3.12Å; D8-K45 IonicContact OD1-NZ 2.97Å; D8-K45 PolarHBondContact OD1-NZ 3.12Å
9E48.6Very low60.4Low124 Ų12473.2 Ų73.258%0.57938%0.378SS*.THydrogen-bonded Turntrans-93-3170.9-68.8-170.6149.700113.2M1 I6 E11M1-E9 WeakPolarHBondContact CE-OE2 3.36Å; I6-E9 PolarHBondContact O-N 2.96Å; E9-E11 PolarHBondContact O-N 2.93Å
10A52.1Low61.6Low9 Ų972.7 Ų72.77%0.07438%0.376CS..  trans-72.771179.900000112.4I6 L42I6-A10 PolarHBondContact O-N 3.21Å; A10-L42 HydrophobicContact CB-CD1 4.08Å
11E58.3Low62.7Low112 Ų11269.5 Ų69.552%0.52336%0.359SS..  trans-71.1125.6171-63.7-165.4176.200111.5E9 S13 D14 W49E9-E11 PolarHBondContact O-N 2.93Å; E11-S13 WeakPolarHBondContact CB-OG 3.01Å; E11-S13 PolarHBondContact O-N 3.12Å; E11-S13 WeakPolarHBondContact OE2-CB 3.34Å; E11-S13 PolarHBondContact OE2-OG 2.89Å; E11-D14 PolarHBondContact O-N 3.06Å; E11-D14 VanDerWaalsContact O-N 3.08Å; E11-W49 HydrophobicContact CB-CH2 3.93Å; E11-W49 HydrophobicContact CB-CZ2 4.09Å; E11-W49 HydrophobicContact CG-CH2 4.06Å; E11-W49 HydrophobicContact CG-CZ2 4.47Å
12F64.5Low64.8Low4 Ų462 Ų622%0.01832%0.322CS..THydrogen-bonded Turntrans-73.913.1169.3-62.3-94.3000112.9W15 T18 L42 K45 F46 W49 F80F12-W15 HydrophobicContact CB-CH2 4.48Å; F12-W15 HydrophobicContact CB-CZ2 4.24Å; F12-W15 HydrophobicContact CD1-CH2 4.14Å; F12-W15 HydrophobicContact CD1-CZ3 4.18Å; F12-W15 PolarHBondContact O-NE1 3.32Å; F12-T18 HydrophobicContact CD1-CG2 4.02Å; F12-T18 HydrophobicContact CE1-CG2 3.61Å; F12-T18 HydrophobicContact CZ-CG2 4.31Å; F12-L42 HydrophobicContact CE2-CD1 4.32Å; F12-L42 HydrophobicContact CZ-CD1 3.78Å; F12-L42 HydrophobicContact CZ-CG 4.03Å; F12-L42 WeakPolarHBondContact CZ-O 3.3Å; F12-K45 HydrophobicContact CE2-CB 4.05Å; F12-F46 HydrophobicContact CD1-CB 4.35Å; F12-F46 AromaticContact CD1-CD2 3.91Å; F12-F46 HydrophobicContact CD1-CD2 3.91Å; F12-F46 HydrophobicContact CE1-CB 3.6Å; F12-F46 AromaticContact CE1-CD2 3.75Å; F12-F46 HydrophobicContact CE1-CD2 3.75Å; F12-F46 HydrophobicContact CE1-CG 4.17Å; F12-F46 HydrophobicContact CE2-CB 4.32Å; F12-F46 HydrophobicContact CZ-CB 3.59Å; F12-W49 HydrophobicContact CB-CD2 3.89Å; F12-W49 HydrophobicContact CB-CE3 4.48Å; F12-W49 HydrophobicContact CB-CG 3.9Å; F12-W49 HydrophobicContact CD2-CB 4.38Å; F12-W49 AromaticContact CD2-CD2 3.76Å; F12-W49 HydrophobicContact CD2-CD2 3.76Å; F12-W49 AromaticContact CD2-CE3 3.53Å; F12-W49 HydrophobicContact CD2-CE3 3.53Å; F12-W49 HydrophobicContact CD2-CG 4.13Å; F12-W49 HydrophobicContact CD2-CZ3 4.09Å; F12-W49 HydrophobicContact CE2-CE3 4.28Å; F12-W49 HydrophobicContact CG-CD2 4.27Å; F12-W49 HydrophobicContact CG-CE3 4.46Å; F12-W49 HydrophobicContact CG-CG 4.34Å; F12-F80 HydrophobicContact CE1-CE2 4.35Å; F12-F80 HydrophobicContact CE1-CZ 4.25Å
13S64.4Low66.9Low76 Ų7662.4 Ų62.453%0.53132%0.318SS..THydrogen-bonded Turntrans-64.9-42.3158.6640000110.1E11E11-S13 WeakPolarHBondContact CB-OG 3.01Å; E11-S13 PolarHBondContact O-N 3.12Å; E11-S13 WeakPolarHBondContact OE2-CB 3.34Å; E11-S13 PolarHBondContact OE2-OG 2.89Å
14D76.9Confident68.8Low66 Ų6667 Ų6735%0.35333%0.331SS..  trans-109.2107.3176-175.617.4000113.5E11 E16 T17 T18E11-D14 PolarHBondContact O-N 3.06Å; E11-D14 VanDerWaalsContact O-N 3.08Å; D14-E16 VanDerWaalsContact C-N 3.35Å; D14-E16 WeakPolarHBondContact OD1-CB 3.37Å; D14-E16 PolarHBondContact OD1-N 3.48Å; D14-T17 VanDerWaalsContact CG-N 3.34Å; D14-T17 PolarHBondContact OD1-N 3.13Å; D14-T17 WeakPolarHBondContact OD2-CB 3.34Å; D14-T17 PolarHBondContact OD2-N 2.75Å; D14-T17 PolarHBondContact OD2-OG1 3.42Å; D14-T18 PolarHBondContact O-N 3.39Å; D14-T18 VanDerWaalsContact O-N 3.08Å; D14-T18 PolarHBondContact O-OG1 3.36Å
15W80Confident70.6Confident14 Ų1459.5 Ų59.55%0.05330%0.299CS..Hα-helixtrans-75.3-23.8178.2-63.582.2000113F12 H19 F46 R73 C76 M77 H109F12-W15 HydrophobicContact CB-CH2 4.48Å; F12-W15 HydrophobicContact CB-CZ2 4.24Å; F12-W15 HydrophobicContact CD1-CH2 4.14Å; F12-W15 HydrophobicContact CD1-CZ3 4.18Å; F12-W15 PolarHBondContact O-NE1 3.32Å; W15-H19 WeakPolarHBondContact O-CB 3.44Å; W15-H19 PolarHBondContact O-N 3.16Å; W15-F46 HydrophobicContact CH2-CD2 4.02Å; W15-F46 AromaticContact CH2-CE2 3.69Å; W15-F46 HydrophobicContact CH2-CE2 3.69Å; W15-F46 HydrophobicContact CZ3-CD2 4.11Å; W15-F46 AromaticContact CZ3-CE2 3.75Å; W15-F46 HydrophobicContact CZ3-CE2 3.75Å; W15-R73 HydrophobicContact CB-CG 4.15Å; W15-R73 HydrophobicContact CD2-CB 4.37Å; W15-R73 HydrophobicContact CD2-CG 3.57Å; W15-R73 HydrophobicContact CE3-CB 4.32Å; W15-R73 HydrophobicContact CE3-CG 4Å; W15-R73 HydrophobicContact CG-CG 3.59Å; W15-C76 HydrophobicContact CE3-CB 4.18Å; W15-M77 HydrophobicContact CE3-CE 4.49Å; W15-M77 HydrophobicContact CH2-CE 3.64Å; W15-M77 HydrophobicContact CZ3-CE 3.62Å; W15-M77 HydrophobicContact CZ3-CG 4.5Å; W15-H109 AromaticContact CH2-CD2 3.8Å; W15-H109 AromaticContact CH2-CE1 3.8Å; W15-H109 AromaticContact CH2-NE2 3.56Å; W15-H109 AromaticContact CZ2-CD2 3.87Å; W15-H109 AromaticContact CZ2-CE1 3.85Å; W15-H109 AromaticContact CZ2-NE2 3.31Å; W15-H109 VanDerWaalsContact CZ2-NE2 3.31Å; W15-H109 WeakPolarHBondContact CZ2-NE2 3.41Å
16E81.4Confident72.6Confident113 Ų11358.1 Ų58.153%0.52829%0.294SS..Hα-helixtrans-76.6-44.5175.2-171.8169.1158.300110.5D14 T18 H19 N20D14-E16 VanDerWaalsContact C-N 3.35Å; D14-E16 WeakPolarHBondContact OD1-CB 3.37Å; D14-E16 PolarHBondContact OD1-N 3.48Å; E16-T18 VanDerWaalsContact C-N 3.33Å; E16-T18 PolarHBondContact O-N 3.13Å; E16-H19 PolarHBondContact O-N 3.39Å; E16-N20 VanDerWaalsContact O-CB 3.24Å; E16-N20 WeakPolarHBondContact O-CB 3.28Å; E16-N20 VanDerWaalsContact O-CG 3.24Å; E16-N20 PolarHBondContact O-N 3.5Å; E16-N20 PolarHBondContact O-ND2 2.95Å
17T83.2Confident74.4Confident67 Ų6761.1 Ų61.141%0.41132%0.317SS..Hα-helixtrans-58-43.4169-71.10000111.9D14 N20 Y21D14-T17 VanDerWaalsContact CG-N 3.34Å; D14-T17 PolarHBondContact OD1-N 3.13Å; D14-T17 WeakPolarHBondContact OD2-CB 3.34Å; D14-T17 PolarHBondContact OD2-N 2.75Å; D14-T17 PolarHBondContact OD2-OG1 3.42Å; T17-N20 PolarHBondContact O-N 3.44Å; T17-Y21 WeakPolarHBondContact O-CB 3.43Å; T17-Y21 PolarHBondContact O-N 3.26Å
18T83.4Confident76Confident0 Ų061 Ų610%033%0.326CS..Hα-helixtrans-63.4-47.4177.2-54.10000112F12 D14 E16 N20 Y21 I22 L42 C76F12-T18 HydrophobicContact CD1-CG2 4.02Å; F12-T18 HydrophobicContact CE1-CG2 3.61Å; F12-T18 HydrophobicContact CZ-CG2 4.31Å; D14-T18 PolarHBondContact O-N 3.39Å; D14-T18 VanDerWaalsContact O-N 3.08Å; D14-T18 PolarHBondContact O-OG1 3.36Å; E16-T18 VanDerWaalsContact C-N 3.33Å; E16-T18 PolarHBondContact O-N 3.13Å; T18-N20 VanDerWaalsContact C-N 3.34Å; T18-N20 PolarHBondContact O-N 3.21Å; T18-Y21 PolarHBondContact O-N 3.22Å; T18-I22 PolarHBondContact O-N 3.49Å; T18-I22 VanDerWaalsContact O-N 3.09Å; T18-L42 HydrophobicContact CG2-CD2 4.41Å; T18-C76 VanDerWaalsContact CG2-SG 3.54Å
19H83.5Confident77.6Confident46 Ų4661.5 Ų61.521%0.21333%0.334CS..Hα-helixtrans-57.7-44.7174.6174.266.2000112.3W15 E16 I22 H23 C76 Q79W15-H19 WeakPolarHBondContact O-CB 3.44Å; W15-H19 PolarHBondContact O-N 3.16Å; E16-H19 PolarHBondContact O-N 3.39Å; H19-I22 PolarHBondContact O-N 3.29Å; H19-H23 WeakPolarHBondContact O-CB 3.36Å; H19-H23 PolarHBondContact O-N 3.09Å; H19-C76 HydrophobicContact CB-CB 4.36Å; H19-Q79 PolarHBondContact CE1-NE2 3.17Å; H19-Q79 VanDerWaalsContact ND1-CD 3.26Å; H19-Q79 PolarHBondContact ND1-NE2 3.41Å; H19-Q79 PolarHBondContact ND1-OE1 3.3Å
20N84.1Confident79.2Confident63 Ų6359 Ų5934%0.33732%0.324SS..Hα-helixtrans-68.9-29.5177.8-75.5-42.3000112.8E16 T17 T18 K24E16-N20 VanDerWaalsContact O-CB 3.24Å; E16-N20 WeakPolarHBondContact O-CB 3.28Å; E16-N20 VanDerWaalsContact O-CG 3.24Å; E16-N20 PolarHBondContact O-N 3.5Å; E16-N20 PolarHBondContact O-ND2 2.95Å; T17-N20 PolarHBondContact O-N 3.44Å; T18-N20 VanDerWaalsContact C-N 3.34Å; T18-N20 PolarHBondContact O-N 3.21Å; N20-K24 WeakPolarHBondContact O-CB 3.29Å; N20-K24 WeakPolarHBondContact O-CD 3.42Å; N20-K24 WeakPolarHBondContact O-CG 3.35Å; N20-K24 PolarHBondContact O-N 3.06Å
21Y84.4Confident80.8Confident6 Ų661.3 Ų61.32%0.02434%0.34CS..Hα-helixtrans-68-47.4172.3176.2-110.7000111.3A3 I6 T17 T18 H23 K24 L25 L42A3-Y21 PolarHBondContact O-OH 3.49Å; I6-Y21 HydrophobicContact CB-CD2 4.06Å; I6-Y21 HydrophobicContact CB-CE2 3.91Å; I6-Y21 HydrophobicContact CG2-CD2 3.47Å; I6-Y21 VanDerWaalsContact CG2-CD2 3.47Å; I6-Y21 HydrophobicContact CG2-CE2 3.79Å; I6-Y21 HydrophobicContact CG2-CG 4.28Å; T17-Y21 WeakPolarHBondContact O-CB 3.43Å; T17-Y21 PolarHBondContact O-N 3.26Å; T18-Y21 PolarHBondContact O-N 3.22Å; Y21-H23 VanDerWaalsContact C-N 3.31Å; Y21-H23 PolarHBondContact O-N 2.78Å; Y21-K24 WeakPolarHBondContact O-CB 3.28Å; Y21-K24 PolarHBondContact O-N 3.44Å; Y21-K24 VanDerWaalsContact O-N 3.09Å; Y21-L25 HydrophobicContact CD1-CD1 4.17Å; Y21-L25 HydrophobicContact CE1-CD1 3.68Å; Y21-L25 HydrophobicContact CE1-CG 4.35Å; Y21-L25 HydrophobicContact CE2-CD2 4.43Å; Y21-L25 HydrophobicContact CE2-CG 4.4Å; Y21-L25 PolarHBondContact O-N 2.92Å; Y21-L42 HydrophobicContact CD1-CD1 4.28Å; Y21-L42 HydrophobicContact CD1-CD2 3.82Å; Y21-L42 HydrophobicContact CE1-CD1 4.19Å; Y21-L42 HydrophobicContact CE1-CD2 4.05Å
22I85.5Confident82.2Confident0 Ų061.3 Ų61.30%035%0.348CS..Hα-helixtrans-59.4-43.8174.6-61.5168.4000110.4T18 H19 K24 L25 L26 L42 Q79 F80 L83T18-I22 PolarHBondContact O-N 3.49Å; T18-I22 VanDerWaalsContact O-N 3.09Å; H19-I22 PolarHBondContact O-N 3.29Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 3.29Å; I22-L25 PolarHBondContact O-N 3.5Å; I22-L26 HydrophobicContact CG2-CD1 4.17Å; I22-L26 WeakPolarHBondContact O-CG 3.17Å; I22-L26 PolarHBondContact O-N 2.81Å; I22-L42 HydrophobicContact CD1-CD2 3.97Å; I22-L42 HydrophobicContact CG1-CD2 3.61Å; I22-Q79 HydrophobicContact CD1-CB 4.35Å; I22-Q79 HydrophobicContact CG2-CB 4.1Å; I22-Q79 HydrophobicContact CG2-CG 4.37Å; I22-F80 HydrophobicContact CD1-CE1 4.13Å; I22-F80 HydrophobicContact CD1-CE2 4.19Å; I22-F80 HydrophobicContact CD1-CZ 3.96Å; I22-L83 HydrophobicContact CG2-CD1 3.55Å
23H85.6Confident83.3Confident97 Ų9767.4 Ų67.445%0.44938%0.376SS..Hα-helixtrans-61.4-38.6174.9-170.7-50.2000112.6H19 Y21 L26 C27H19-H23 WeakPolarHBondContact O-CB 3.36Å; H19-H23 PolarHBondContact O-N 3.09Å; Y21-H23 VanDerWaalsContact C-N 3.31Å; Y21-H23 PolarHBondContact O-N 2.78Å; H23-L26 PolarHBondContact O-N 2.89Å; H23-C27 PolarHBondContact CE1-SG 3.47Å; H23-C27 PolarHBondContact ND1-SG 2.91Å; H23-C27 PolarHBondContact O-N 3.48Å; H23-C27 PolarHBondContact O-SG 3.15Å
24K86.6Confident84.5Confident134 Ų13469 Ų6958%0.58338%0.375SS*.Hα-helixtrans-66.4-38.9176.2-76.6164.3-174.1171.90112.4N20 Y21 I22 C27 G28N20-K24 WeakPolarHBondContact O-CB 3.29Å; N20-K24 WeakPolarHBondContact O-CD 3.42Å; N20-K24 WeakPolarHBondContact O-CG 3.35Å; N20-K24 PolarHBondContact O-N 3.06Å; Y21-K24 WeakPolarHBondContact O-CB 3.28Å; Y21-K24 PolarHBondContact O-N 3.44Å; Y21-K24 VanDerWaalsContact O-N 3.09Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 3.29Å; K24-C27 CarbonylContact O-C 3.52Å; K24-C27 PolarHBondContact O-N 3.46Å; K24-G28 PolarHBondContact O-N 3.08Å; K24-G28 VanDerWaalsContact O-N 3.09Å
25L86.4Confident85Confident5 Ų567 Ų673%0.02636%0.364CS..Hα-helixtrans-61.9-47.2173.5-69.1174.5000111.2A3 Y21 I22 C27 G28 I35 I39A3-L25 HydrophobicContact CB-CD2 4.25Å; Y21-L25 HydrophobicContact CD1-CD1 4.17Å; Y21-L25 HydrophobicContact CE1-CD1 3.68Å; Y21-L25 HydrophobicContact CE1-CG 4.35Å; Y21-L25 HydrophobicContact CE2-CD2 4.43Å; Y21-L25 HydrophobicContact CE2-CG 4.4Å; Y21-L25 PolarHBondContact O-N 2.92Å; I22-L25 PolarHBondContact O-N 3.5Å; L25-C27 VanDerWaalsContact C-N 3.27Å; L25-C27 PolarHBondContact O-N 2.85Å; L25-G28 PolarHBondContact O-N 3.46Å; L25-I35 HydrophobicContact CB-CG2 4.44Å; L25-I35 WeakPolarHBondContact O-CD1 3.31Å; L25-I39 HydrophobicContact CD1-CG1 4.26Å
26L85.9Confident85.4Confident81 Ų8170.8 Ų70.842%0.42438%0.381SS..Hα-helixtrans-66.6-25179.6-65.7173.9000114.1I22 H23 I35 I39 L83I22-L26 HydrophobicContact CG2-CD1 4.17Å; I22-L26 WeakPolarHBondContact O-CG 3.17Å; I22-L26 PolarHBondContact O-N 2.81Å; H23-L26 PolarHBondContact O-N 2.89Å; L26-I35 HydrophobicContact CD2-CG2 4.19Å; L26-I39 HydrophobicContact CD2-CD1 4.38Å; L26-L83 HydrophobicContact CD1-CD1 3.86Å; L26-L83 HydrophobicContact CD1-CD2 4.08Å; L26-L83 HydrophobicContact CD2-CD1 4.23Å; L26-L83 HydrophobicContact CD2-CD2 3.69Å; L26-L83 HydrophobicContact CG-CD1 4.4Å
27C87.1Confident85.9Confident91 Ų9170.3 Ų70.362%0.61538%0.379SS*.THydrogen-bonded Turntrans-97.612.3172.5-63.50000113.2H23 K24 L25H23-C27 PolarHBondContact CE1-SG 3.47Å; H23-C27 PolarHBondContact ND1-SG 2.91Å; H23-C27 PolarHBondContact O-N 3.48Å; H23-C27 PolarHBondContact O-SG 3.15Å; K24-C27 CarbonylContact O-C 3.52Å; K24-C27 PolarHBondContact O-N 3.46Å; L25-C27 VanDerWaalsContact C-N 3.27Å; L25-C27 PolarHBondContact O-N 2.85Å
28G83.2Confident86.2Confident35 Ų3568 Ų6836%0.36137%0.365SS..SBendtrans-74.9-177.1178.600000113.6K24 L25K24-G28 PolarHBondContact O-N 3.08Å; K24-G28 VanDerWaalsContact O-N 3.09Å; L25-G28 PolarHBondContact O-N 3.46Å
29V83.8Confident86.5Confident149 Ų14968.3 Ų68.390%0.90337%0.367SS*.SBendtrans-111.75.2170.4-64.50000112.3
30D83.1Confident86.9Confident71 Ų7167.4 Ų67.438%0.3836%0.363SS..SBendtrans-70.3158.1178-52.9-39000110.2E34 I35D30-E34 HydrophobicContact CB-CB 4.39Å; D30-I35 HydrophobicContact CB-CG1 4.09Å; D30-I35 WeakPolarHBondContact O-CD1 3.24Å
31S86.7Confident87.2Confident57 Ų5767.3 Ų67.340%0.39936%0.362SS..  trans-71155.5-17969.50000112.4E33 E34 I35S31-E33 PolarHBondContact O-N 3.44Å; S31-E33 VanDerWaalsContact O-N 3.15Å; S31-E34 VanDerWaalsContact CB-OE2 3.23Å; S31-E34 WeakPolarHBondContact CB-OE2 3.4Å; S31-E34 PolarHBondContact N-OE2 2.79Å; S31-E34 PolarHBondContact O-N 3.49Å; S31-E34 VanDerWaalsContact OG-CD 3.28Å; S31-E34 VanDerWaalsContact OG-CG 3.32Å; S31-E34 WeakPolarHBondContact OG-CG 3.34Å; S31-E34 PolarHBondContact OG-N 2.93Å; S31-E34 PolarHBondContact OG-OE2 3.48Å; S31-I35 WeakPolarHBondContact O-CG1 3.45Å; S31-I35 PolarHBondContact O-N 3.14Å
32T86.4Confident87.4Confident113 Ų11367 Ų6769%0.69336%0.361SS*.Hα-helixtrans-54.8-35.3179.1-44.70000112.7K36T32-K36 WeakPolarHBondContact O-CB 3.44Å; T32-K36 PolarHBondContact O-N 3.4Å
33E88.4Confident87.7Confident131 Ų13167 Ų6761%0.61236%0.361SS*.Hα-helixtrans-71.8-38.6176.8-60.3-56.2146.400112.3S31 K36 H37S31-E33 PolarHBondContact O-N 3.44Å; S31-E33 VanDerWaalsContact O-N 3.15Å; E33-K36 PolarHBondContact O-N 3.4Å; E33-H37 VanDerWaalsContact O-CB 3.23Å; E33-H37 WeakPolarHBondContact O-CB 3.29Å; E33-H37 PolarHBondContact O-N 3.08Å
34E88.5Confident87.9Confident111 Ų11164 Ų6452%0.51935%0.347SS..Hα-helixtrans-68-40.2175.1-71.4163.9128.600111.6D30 S31 S38D30-E34 HydrophobicContact CB-CB 4.39Å; S31-E34 VanDerWaalsContact CB-OE2 3.23Å; S31-E34 WeakPolarHBondContact CB-OE2 3.4Å; S31-E34 PolarHBondContact N-OE2 2.79Å; S31-E34 PolarHBondContact O-N 3.49Å; S31-E34 VanDerWaalsContact OG-CD 3.28Å; S31-E34 VanDerWaalsContact OG-CG 3.32Å; S31-E34 WeakPolarHBondContact OG-CG 3.34Å; S31-E34 PolarHBondContact OG-N 2.93Å; S31-E34 PolarHBondContact OG-OE2 3.48Å; E34-S38 VanDerWaalsContact O-CB 3.28Å; E34-S38 WeakPolarHBondContact O-CB 3.49Å; E34-S38 PolarHBondContact O-N 3.34Å; E34-S38 PolarHBondContact O-OG 2.71Å
35I87.5Confident87.9Confident24 Ų2461.3 Ų61.312%0.12334%0.335CS..Hα-helixtrans-62.4-49.9173.3-67.8168.9000109.9L25 L26 D30 S31 S38 I39L25-I35 HydrophobicContact CB-CG2 4.44Å; L25-I35 WeakPolarHBondContact O-CD1 3.31Å; L26-I35 HydrophobicContact CD2-CG2 4.19Å; D30-I35 HydrophobicContact CB-CG1 4.09Å; D30-I35 WeakPolarHBondContact O-CD1 3.24Å; S31-I35 WeakPolarHBondContact O-CG1 3.45Å; S31-I35 PolarHBondContact O-N 3.14Å; I35-S38 PolarHBondContact O-N 3.48Å; I35-I39 HydrophobicContact CG2-CD1 3.73Å; I35-I39 WeakPolarHBondContact O-CD1 3.31Å; I35-I39 VanDerWaalsContact O-CG1 3.3Å; I35-I39 WeakPolarHBondContact O-CG1 3.36Å; I35-I39 PolarHBondContact O-N 3.45Å
36K89.7Confident88Confident92 Ų9261.1 Ų61.140%0.433%0.334SS..Hα-helixtrans-58.2-52.2177.8179.7173177.4-78.50111.2T32 E33 S38 I39 E40T32-K36 WeakPolarHBondContact O-CB 3.44Å; T32-K36 PolarHBondContact O-N 3.4Å; E33-K36 PolarHBondContact O-N 3.4Å; K36-S38 VanDerWaalsContact C-N 3.25Å; K36-S38 PolarHBondContact O-N 2.89Å; K36-I39 PolarHBondContact O-N 2.99Å; K36-I39 VanDerWaalsContact O-N 3.08Å; K36-E40 WeakPolarHBondContact CE-OE1 3.44Å; K36-E40 HydrophobicContact CG-CG 4.4Å; K36-E40 IonicContact NZ-OE1 2.94Å; K36-E40 PolarHBondContact NZ-OE1 2.85Å; K36-E40 WeakPolarHBondContact O-CG 3.19Å; K36-E40 PolarHBondContact O-N 3.39Å
37H90.2Very high88.1Confident104 Ų10457.2 Ų57.248%0.48131%0.314SS..Hα-helixtrans-60.9-34.1178.4-174.154000112.6E33 E40 N41E33-H37 VanDerWaalsContact O-CB 3.23Å; E33-H37 WeakPolarHBondContact O-CB 3.29Å; E33-H37 PolarHBondContact O-N 3.08Å; H37-E40 IonicContact ND1-OE2 2.71Å; H37-N41 PolarHBondContact CD2-ND2 3.07Å; H37-N41 VanDerWaalsContact CD2-ND2 3.32Å; H37-N41 PolarHBondContact CE1-ND2 2.88Å; H37-N41 PolarHBondContact NE2-ND2 3.21Å; H37-N41 WeakPolarHBondContact O-CB 3.46Å; H37-N41 VanDerWaalsContact O-CG 3.27Å; H37-N41 PolarHBondContact O-N 2.84Å; H37-N41 PolarHBondContact O-ND2 3.24Å
38S89.3Confident88.1Confident19 Ų1956.1 Ų56.113%0.13330%0.302CS..Hα-helixtrans-67.9-38.7174.7-60.60000112.5E34 I35 K36 L42E34-S38 VanDerWaalsContact O-CB 3.28Å; E34-S38 WeakPolarHBondContact O-CB 3.49Å; E34-S38 PolarHBondContact O-N 3.34Å; E34-S38 PolarHBondContact O-OG 2.71Å; I35-S38 PolarHBondContact O-N 3.48Å; K36-S38 VanDerWaalsContact C-N 3.25Å; K36-S38 PolarHBondContact O-N 2.89Å; S38-L42 VanDerWaalsContact O-CB 3.28Å; S38-L42 WeakPolarHBondContact O-CB 3.3Å; S38-L42 PolarHBondContact O-N 3.07Å
39I90.6Very high88.1Confident5 Ų558.1 Ų58.13%0.02630%0.298CS..Hα-helixtrans-71.6-39.6175.8-62.4159.1000111L25 L26 I35 K36 L42 F43 F80 L83 L84L25-I39 HydrophobicContact CD1-CG1 4.26Å; L26-I39 HydrophobicContact CD2-CD1 4.38Å; I35-I39 HydrophobicContact CG2-CD1 3.73Å; I35-I39 WeakPolarHBondContact O-CD1 3.31Å; I35-I39 VanDerWaalsContact O-CG1 3.3Å; I35-I39 WeakPolarHBondContact O-CG1 3.36Å; I35-I39 PolarHBondContact O-N 3.45Å; K36-I39 PolarHBondContact O-N 2.99Å; K36-I39 VanDerWaalsContact O-N 3.08Å; I39-L42 PolarHBondContact O-N 3.41Å; I39-F43 WeakPolarHBondContact O-CB 3.44Å; I39-F43 PolarHBondContact O-N 3.36Å; I39-F80 HydrophobicContact CG2-CD1 4.02Å; I39-F80 HydrophobicContact CG2-CE1 4.3Å; I39-L83 HydrophobicContact CD1-CB 4.25Å; I39-L83 HydrophobicContact CD1-CD1 3.94Å; I39-L83 HydrophobicContact CG2-CB 4.33Å; I39-L84 HydrophobicContact CB-CD2 4.48Å; I39-L84 HydrophobicContact CG2-CD1 4.18Å; I39-L84 HydrophobicContact CG2-CD2 3.95Å; I39-L84 HydrophobicContact CG2-CG 3.94Å
40E92.6Very high87.9Confident28 Ų2858.1 Ų58.113%0.13129%0.286CS..Hα-helixtrans-57.5-54.8172.3-72.2174.4166.800110.8K36 H37 L42 F43 E44 L84 Y88K36-E40 WeakPolarHBondContact CE-OE1 3.44Å; K36-E40 HydrophobicContact CG-CG 4.4Å; K36-E40 IonicContact NZ-OE1 2.94Å; K36-E40 PolarHBondContact NZ-OE1 2.85Å; K36-E40 WeakPolarHBondContact O-CG 3.19Å; K36-E40 PolarHBondContact O-N 3.39Å; H37-E40 IonicContact ND1-OE2 2.71Å; E40-L42 VanDerWaalsContact C-N 3.28Å; E40-L42 PolarHBondContact O-N 3.4Å; E40-F43 WeakPolarHBondContact O-CA 3.41Å; E40-F43 WeakPolarHBondContact O-CB 3.48Å; E40-F43 PolarHBondContact O-N 3.48Å; E40-E44 WeakPolarHBondContact O-CG 3.43Å; E40-E44 PolarHBondContact O-N 3.36Å; E40-L84 HydrophobicContact CG-CD2 3.65Å; E40-Y88 WeakPolarHBondContact CB-OH 3.32Å; E40-Y88 HydrophobicContact CG-CE1 4.19Å; E40-Y88 HydrophobicContact CG-CE2 4.18Å; E40-Y88 WeakPolarHBondContact CG-OH 3.43Å
41N89.5Confident87.6Confident60 Ų6055.8 Ų55.832%0.32128%0.275SS..Hα-helixtrans-59.4-37.1177-73.4-44.8000112.8H37 F43 E44 K45H37-N41 PolarHBondContact CD2-ND2 3.07Å; H37-N41 VanDerWaalsContact CD2-ND2 3.32Å; H37-N41 PolarHBondContact CE1-ND2 2.88Å; H37-N41 PolarHBondContact NE2-ND2 3.21Å; H37-N41 WeakPolarHBondContact O-CB 3.46Å; H37-N41 VanDerWaalsContact O-CG 3.27Å; H37-N41 PolarHBondContact O-N 2.84Å; H37-N41 PolarHBondContact O-ND2 3.24Å; N41-F43 VanDerWaalsContact C-N 3.33Å; N41-E44 PolarHBondContact O-N 3.18Å; N41-K45 PolarHBondContact O-N 3.11Å; N41-K45 VanDerWaalsContact O-N 3.11Å
42L89.8Confident87.1Confident1 Ų158.9 Ų58.91%0.00529%0.287CS..Hα-helixtrans-67-35.7175.1-173.571.5000111.4A10 F12 T18 Y21 I22 S38 I39 E40 K45 F46 F80A10-L42 HydrophobicContact CB-CD1 4.08Å; F12-L42 HydrophobicContact CE2-CD1 4.32Å; F12-L42 HydrophobicContact CZ-CD1 3.78Å; F12-L42 HydrophobicContact CZ-CG 4.03Å; F12-L42 WeakPolarHBondContact CZ-O 3.3Å; T18-L42 HydrophobicContact CG2-CD2 4.41Å; Y21-L42 HydrophobicContact CD1-CD1 4.28Å; Y21-L42 HydrophobicContact CD1-CD2 3.82Å; Y21-L42 HydrophobicContact CE1-CD1 4.19Å; Y21-L42 HydrophobicContact CE1-CD2 4.05Å; I22-L42 HydrophobicContact CD1-CD2 3.97Å; I22-L42 HydrophobicContact CG1-CD2 3.61Å; S38-L42 VanDerWaalsContact O-CB 3.28Å; S38-L42 WeakPolarHBondContact O-CB 3.3Å; S38-L42 PolarHBondContact O-N 3.07Å; I39-L42 PolarHBondContact O-N 3.41Å; E40-L42 VanDerWaalsContact C-N 3.28Å; E40-L42 PolarHBondContact O-N 3.4Å; L42-K45 PolarHBondContact O-N 3.31Å; L42-F46 WeakPolarHBondContact O-CB 3.32Å; L42-F46 PolarHBondContact O-N 3.38Å; L42-F80 HydrophobicContact CB-CE1 4.24Å; L42-F80 HydrophobicContact CD2-CE1 3.93Å; L42-F80 HydrophobicContact CD2-CZ 3.8Å; L42-F80 HydrophobicContact CG-CE1 4.05Å; L42-F80 HydrophobicContact CG-CZ 3.86Å
43F91.6Very high87Confident0 Ų056.4 Ų56.40%027%0.268CS..Hα-helixtrans-68.5-35.7175.2-175.3-109.5000112.2I39 E40 N41 F46 L47 F80 L84 Y88 I89 R92 L113I39-F43 WeakPolarHBondContact O-CB 3.44Å; I39-F43 PolarHBondContact O-N 3.36Å; E40-F43 WeakPolarHBondContact O-CA 3.41Å; E40-F43 WeakPolarHBondContact O-CB 3.48Å; E40-F43 PolarHBondContact O-N 3.48Å; N41-F43 VanDerWaalsContact C-N 3.33Å; F43-F46 AromaticContact CD2-CD1 3.91Å; F43-F46 HydrophobicContact CD2-CD1 3.91Å; F43-F46 HydrophobicContact CD2-CE1 4.42Å; F43-F46 AromaticContact CE2-CD1 3.94Å; F43-F46 HydrophobicContact CE2-CD1 3.94Å; F43-F46 HydrophobicContact CE2-CE1 4.05Å; F43-F46 WeakPolarHBondContact O-CB 3.28Å; F43-F46 PolarHBondContact O-N 3.1Å; F43-L47 HydrophobicContact CD1-CD1 4.13Å; F43-L47 HydrophobicContact CD1-CG 4.47Å; F43-L47 HydrophobicContact CE1-CD1 3.7Å; F43-L47 HydrophobicContact CE1-CD2 4.39Å; F43-L47 HydrophobicContact CE1-CG 4.16Å; F43-L47 HydrophobicContact CE2-CD2 4.27Å; F43-L47 HydrophobicContact CZ-CD1 4.1Å; F43-L47 HydrophobicContact CZ-CD2 3.94Å; F43-L47 HydrophobicContact CZ-CG 4.17Å; F43-L47 WeakPolarHBondContact O-CG 3.33Å; F43-L47 PolarHBondContact O-N 3.32Å; F43-F80 HydrophobicContact CB-CD1 3.95Å; F43-F80 HydrophobicContact CB-CE1 3.92Å; F43-F80 HydrophobicContact CD2-CB 4.11Å; F43-F80 AromaticContact CD2-CD1 3.84Å; F43-F80 HydrophobicContact CD2-CD1 3.84Å; F43-F80 HydrophobicContact CD2-CD2 4.43Å; F43-F80 HydrophobicContact CD2-CE1 4.32Å; F43-F80 AromaticContact CD2-CG 3.9Å; F43-F80 HydrophobicContact CD2-CG 3.9Å; F43-F80 HydrophobicContact CE2-CB 4.44Å; F43-F80 HydrophobicContact CG-CD1 4.33Å; F43-L84 HydrophobicContact CB-CD1 3.55Å; F43-L84 HydrophobicContact CD1-CD1 3.89Å; F43-L84 HydrophobicContact CD2-CD1 4.07Å; F43-L84 HydrophobicContact CG-CD1 3.57Å; F43-Y88 HydrophobicContact CD1-CE1 4.24Å; F43-I89 HydrophobicContact CE1-CG1 4.37Å; F43-I89 HydrophobicContact CZ-CB 4.48Å; F43-I89 HydrophobicContact CZ-CG1 4.13Å; F43-I89 HydrophobicContact CZ-CG2 4.05Å; F43-R92 HydrophobicContact CE1-CB 4.34Å; F43-L113 HydrophobicContact CE2-CD1 4.4Å; F43-L113 HydrophobicContact CE2-CD2 3.74Å; F43-L113 HydrophobicContact CZ-CD2 3.68Å
44E88.2Confident86.8Confident34 Ų3451.6 Ų51.616%0.15925%0.249CC..Hα-helixtrans-61.3-49.1169.5-55.5-65.5-168.300111.6E40 N41 F46 L47 L48 R92E40-E44 WeakPolarHBondContact O-CG 3.43Å; E40-E44 PolarHBondContact O-N 3.36Å; N41-E44 PolarHBondContact O-N 3.18Å; E44-F46 PolarHBondContact O-N 3.09Å; E44-L47 PolarHBondContact O-N 3.18Å; E44-L48 PolarHBondContact O-N 3.04Å; E44-L48 VanDerWaalsContact O-N 3.11Å; E44-R92 IonicContact OE1-CZ 2.84Å; E44-R92 IonicContact OE1-NE 2.6Å; E44-R92 PolarHBondContact OE1-NE 3.01Å; E44-R92 IonicContact OE1-NH2 2.9Å; E44-R92 PolarHBondContact OE1-NH2 3.13Å; E44-R92 WeakPolarHBondContact OE2-CD 3.33Å; E44-R92 IonicContact OE2-CZ 3.78Å; E44-R92 IonicContact OE2-NE 3.2Å; E44-R92 PolarHBondContact OE2-NE 3.45Å; E44-R92 IonicContact OE2-NH1 2.66Å; E44-R92 IonicContact OE2-NH2 3.22Å; E44-R92 PolarHBondContact OE2-NH2 3.34Å; E44-R92 VanDerWaalsContact OE2-NH2 3.13Å
45K87.6Confident86.8Confident77 Ų7746.3 Ų46.334%0.33522%0.224SC..Hα-helixtrans-60-31.2175.5-71.4-169.7177.8-166.80112Q7 D8 F12 N41 L42 W49Q7-K45 PolarHBondContact O-NZ 3.34Å; D8-K45 IonicContact OD1-NZ 2.97Å; D8-K45 PolarHBondContact OD1-NZ 3.12Å; F12-K45 HydrophobicContact CE2-CB 4.05Å; N41-K45 PolarHBondContact O-N 3.11Å; N41-K45 VanDerWaalsContact O-N 3.11Å; L42-K45 PolarHBondContact O-N 3.31Å; K45-W49 WeakPolarHBondContact O-CA 3.23Å; K45-W49 WeakPolarHBondContact O-CB 3.28Å; K45-W49 PolarHBondContact O-N 3.25Å; K45-W49 VanDerWaalsContact O-N 3.09Å
46F88.3Confident86.8Confident0 Ų046.3 Ų46.30%022%0.222CC..Hα-helixtrans-68.7-48.9174.4164.4-93.1000112.5F12 W15 L42 F43 E44 L48 W49 M77 F80 H109 L113F12-F46 HydrophobicContact CD1-CB 4.35Å; F12-F46 AromaticContact CD1-CD2 3.91Å; F12-F46 HydrophobicContact CD1-CD2 3.91Å; F12-F46 HydrophobicContact CE1-CB 3.6Å; F12-F46 AromaticContact CE1-CD2 3.75Å; F12-F46 HydrophobicContact CE1-CD2 3.75Å; F12-F46 HydrophobicContact CE1-CG 4.17Å; F12-F46 HydrophobicContact CE2-CB 4.32Å; F12-F46 HydrophobicContact CZ-CB 3.59Å; W15-F46 HydrophobicContact CH2-CD2 4.02Å; W15-F46 AromaticContact CH2-CE2 3.69Å; W15-F46 HydrophobicContact CH2-CE2 3.69Å; W15-F46 HydrophobicContact CZ3-CD2 4.11Å; W15-F46 AromaticContact CZ3-CE2 3.75Å; W15-F46 HydrophobicContact CZ3-CE2 3.75Å; L42-F46 WeakPolarHBondContact O-CB 3.32Å; L42-F46 PolarHBondContact O-N 3.38Å; F43-F46 AromaticContact CD2-CD1 3.91Å; F43-F46 HydrophobicContact CD2-CD1 3.91Å; F43-F46 HydrophobicContact CD2-CE1 4.42Å; F43-F46 AromaticContact CE2-CD1 3.94Å; F43-F46 HydrophobicContact CE2-CD1 3.94Å; F43-F46 HydrophobicContact CE2-CE1 4.05Å; F43-F46 WeakPolarHBondContact O-CB 3.28Å; F43-F46 PolarHBondContact O-N 3.1Å; E44-F46 PolarHBondContact O-N 3.09Å; F46-L48 VanDerWaalsContact C-N 3.33Å; F46-L48 PolarHBondContact O-N 3.02Å; F46-W49 PolarHBondContact O-N 2.96Å; F46-M77 HydrophobicContact CE2-CE 3.76Å; F46-M77 HydrophobicContact CE2-CG 3.9Å; F46-M77 HydrophobicContact CE2-SD 4.29Å; F46-M77 HydrophobicContact CZ-CE 3.95Å; F46-M77 HydrophobicContact CZ-CG 3.87Å; F46-M77 HydrophobicContact CZ-SD 4.02Å; F46-F80 HydrophobicContact CB-CE2 4.37Å; F46-F80 HydrophobicContact CB-CZ 4.3Å; F46-F80 AromaticContact CD2-CE2 4Å; F46-F80 HydrophobicContact CD2-CE2 4Å; F46-F80 HydrophobicContact CE2-CE2 4.46Å; F46-F80 HydrophobicContact CG-CE2 4.18Å; F46-H109 HydrophobicContact CD1-CB 4.47Å; F46-H109 HydrophobicContact CD2-CB 4.37Å; F46-H109 AromaticContact CD2-ND1 3.76Å; F46-H109 HydrophobicContact CE1-CB 3.97Å; F46-H109 HydrophobicContact CE2-CB 3.88Å; F46-H109 AromaticContact CE2-CG 3.93Å; F46-H109 AromaticContact CE2-ND1 3.98Å; F46-H109 HydrophobicContact CZ-CB 3.66Å; F46-H109 PolarHBondContact O-ND1 3.33Å; F46-L113 HydrophobicContact CE1-CB 4.34Å; F46-L113 HydrophobicContact CE1-CD2 4.23Å; F46-L113 HydrophobicContact CZ-CB 4.35Å
47L88.1Confident86.7Confident0 Ų045.6 Ų45.60%022%0.221CC..Hα-helixtrans-65.7-37.3-178.4-64.7176.8000112.2F43 E44 L93 T96 N106 I110 L113F43-L47 HydrophobicContact CD1-CD1 4.13Å; F43-L47 HydrophobicContact CD1-CG 4.47Å; F43-L47 HydrophobicContact CE1-CD1 3.7Å; F43-L47 HydrophobicContact CE1-CD2 4.39Å; F43-L47 HydrophobicContact CE1-CG 4.16Å; F43-L47 HydrophobicContact CE2-CD2 4.27Å; F43-L47 HydrophobicContact CZ-CD1 4.1Å; F43-L47 HydrophobicContact CZ-CD2 3.94Å; F43-L47 HydrophobicContact CZ-CG 4.17Å; F43-L47 WeakPolarHBondContact O-CG 3.33Å; F43-L47 PolarHBondContact O-N 3.32Å; E44-L47 PolarHBondContact O-N 3.18Å; L47-L93 HydrophobicContact CD2-CD2 3.87Å; L47-T96 HydrophobicContact CB-CG2 4.34Å; L47-T96 HydrophobicContact CD1-CG2 4.38Å; L47-N106 PolarHBondContact O-N 3.21Å; L47-I110 HydrophobicContact CD2-CD1 3.58Å; L47-L113 HydrophobicContact CD2-CD2 4.3Å
48L86.7Confident86.4Confident68 Ų6841.8 Ų41.836%0.35620%0.202SC..THydrogen-bonded Turntrans-10016.9-178.1-59.5176.9000113.1E44 F46 K50 T96 I105E44-L48 PolarHBondContact O-N 3.04Å; E44-L48 VanDerWaalsContact O-N 3.11Å; F46-L48 VanDerWaalsContact C-N 3.33Å; F46-L48 PolarHBondContact O-N 3.02Å; L48-K50 PolarHBondContact O-N 2.77Å; L48-T96 HydrophobicContact CD2-CG2 4.04Å; L48-I105 HydrophobicContact CD2-CG1 4.28Å
49W84Confident86.3Confident77 Ų7741 Ų4129%0.29220%0.196SC..PPolyproline II helixtrans-63.7132.6178-175.6-105.1000111E11 F12 K45 F46 S51 N106 H109E11-W49 HydrophobicContact CB-CH2 3.93Å; E11-W49 HydrophobicContact CB-CZ2 4.09Å; E11-W49 HydrophobicContact CG-CH2 4.06Å; E11-W49 HydrophobicContact CG-CZ2 4.47Å; F12-W49 HydrophobicContact CB-CD2 3.89Å; F12-W49 HydrophobicContact CB-CE3 4.48Å; F12-W49 HydrophobicContact CB-CG 3.9Å; F12-W49 HydrophobicContact CD2-CB 4.38Å; F12-W49 AromaticContact CD2-CD2 3.76Å; F12-W49 HydrophobicContact CD2-CD2 3.76Å; F12-W49 AromaticContact CD2-CE3 3.53Å; F12-W49 HydrophobicContact CD2-CE3 3.53Å; F12-W49 HydrophobicContact CD2-CG 4.13Å; F12-W49 HydrophobicContact CD2-CZ3 4.09Å; F12-W49 HydrophobicContact CE2-CE3 4.28Å; F12-W49 HydrophobicContact CG-CD2 4.27Å; F12-W49 HydrophobicContact CG-CE3 4.46Å; F12-W49 HydrophobicContact CG-CG 4.34Å; K45-W49 WeakPolarHBondContact O-CA 3.23Å; K45-W49 WeakPolarHBondContact O-CB 3.28Å; K45-W49 PolarHBondContact O-N 3.25Å; K45-W49 VanDerWaalsContact O-N 3.09Å; F46-W49 PolarHBondContact O-N 2.96Å; W49-S51 PolarHBondContact O-N 2.86Å; W49-N106 VanDerWaalsContact O-CB 3.31Å; W49-N106 WeakPolarHBondContact O-CB 3.44Å; W49-N106 PolarHBondContact O-ND2 2.81Å; W49-H109 AromaticContact CD1-CE1 3.73Å; W49-H109 AromaticContact CG-CE1 3.87Å
50K78.3Confident86Confident149 Ų14944.5 Ų44.565%0.64821%0.213SC*.PPolyproline II helixtrans-48.5117.9-172.7-178.1172.9178.9-83.70112.4L48 D52L48-K50 PolarHBondContact O-N 2.77Å; K50-D52 IonicContact NZ-OD1 3.04Å; K50-D52 PolarHBondContact NZ-OD1 2.79Å
51S78.2Confident85.5Confident21 Ų2147.4 Ų47.415%0.14722%0.223CC..PPolyproline II helixtrans-86.5142.9164.6-176.70000109.6W49 H53W49-S51 PolarHBondContact O-N 2.86Å; S51-H53 VanDerWaalsContact C-N 3.31Å; S51-H53 PolarHBondContact OG-N 3.13Å; S51-H53 PolarHBondContact OG-O 3.37Å
52D76.1Confident84.8Confident122 Ų12251.5 Ų51.565%0.65224%0.244SC*.SBendtrans-92.96.2166.2-68.3-41.6000112.3K50K50-D52 IonicContact NZ-OD1 3.04Å; K50-D52 PolarHBondContact NZ-OD1 2.79Å
53H82.9Confident84.4Confident62 Ų6252.9 Ų52.929%0.28725%0.25SC..SBendtrans-134136.1-171-57.3-54.6000111.9S51 E57 Y58 R61S51-H53 VanDerWaalsContact C-N 3.31Å; S51-H53 PolarHBondContact OG-N 3.13Å; S51-H53 PolarHBondContact OG-O 3.37Å; H53-E57 HydrophobicContact CB-CB 4.21Å; H53-E57 IonicContact CE1-OE2 2.97Å; H53-E57 IonicContact CG-OE2 3.98Å; H53-E57 IonicContact ND1-OE2 2.64Å; H53-E57 PolarHBondContact ND1-OE2 2.92Å; H53-Y58 HydrophobicContact CB-CD2 4.1Å; H53-Y58 HydrophobicContact CB-CE2 3.64Å; H53-R61 PolarHBondContact CD2-NH1 3.13Å; H53-R61 PolarHBondContact CD2-NH2 3.25Å; H53-R61 VanDerWaalsContact CD2-NH2 3.26Å; H53-R61 PolarHBondContact CE1-NH2 2.99Å; H53-R61 PolarHBondContact ND1-NH2 3.15Å; H53-R61 PolarHBondContact NE2-NH1 3.1Å; H53-R61 VanDerWaalsContact NE2-NH1 3.16Å; H53-R61 PolarHBondContact NE2-NH2 3.18Å
54S85.9Confident84.1Confident30 Ų3056.6 Ų56.621%0.2127%0.269CS..  trans-66.7160.6171610000112.4Y56 E57 Y58 D103S54-Y56 PolarHBondContact O-N 2.84Å; S54-E57 WeakPolarHBondContact O-CB 3.17Å; S54-E57 PolarHBondContact O-N 2.91Å; S54-E57 VanDerWaalsContact O-N 3.12Å; S54-E57 WeakPolarHBondContact OG-CG 3.5Å; S54-E57 PolarHBondContact OG-N 3.39Å; S54-E57 PolarHBondContact OG-OE1 3.42Å; S54-Y58 WeakPolarHBondContact O-CD2 3.19Å; S54-Y58 PolarHBondContact O-N 2.78Å; S54-Y58 VanDerWaalsContact O-N 3.12Å; S54-D103 WeakPolarHBondContact CA-OD1 3.07Å; S54-D103 WeakPolarHBondContact CB-OD1 3.26Å
55I88.1Confident84.1Confident0 Ų056.5 Ų56.50%027%0.271CS..Hα-helixtrans-60.3-33.1172.7-163.7-177000111.8Y58 F59 L102 D103 W107 Q181 I184 L188I55-Y58 PolarHBondContact O-N 3.25Å; I55-Y58 VanDerWaalsContact O-N 3.17Å; I55-F59 PolarHBondContact O-N 3.42Å; I55-L102 HydrophobicContact CD1-CB 4.35Å; I55-D103 WeakPolarHBondContact CG2-OD1 3.33Å; I55-D103 PolarHBondContact N-OD1 3.19Å; I55-W107 HydrophobicContact CD1-CD2 4.19Å; I55-W107 VanDerWaalsContact CD1-CE2 3.41Å; I55-W107 HydrophobicContact CD1-CH2 4.05Å; I55-W107 HydrophobicContact CD1-CZ2 3.34Å; I55-W107 HydrophobicContact CG1-CD2 3.99Å; I55-W107 HydrophobicContact CG1-CG 4.18Å; I55-W107 HydrophobicContact CG1-CZ2 4.05Å; I55-Q181 WeakPolarHBondContact CD1-O 3.22Å; I55-Q181 HydrophobicContact CG2-CB 4.13Å; I55-Q181 HydrophobicContact CG2-CG 3.87Å; I55-I184 HydrophobicContact CD1-CB 4.02Å; I55-I184 HydrophobicContact CD1-CG2 3.77Å; I55-I184 HydrophobicContact CG1-CB 4.43Å; I55-I184 HydrophobicContact CG1-CG2 3.67Å; I55-L188 HydrophobicContact CD1-CD1 4.43Å; I55-L188 HydrophobicContact CG1-CD1 3.84Å
56Y87.5Confident84.2Confident23 Ų2354.7 Ų54.79%0.0926%0.263CS..Hα-helixtrans-62.9-40174.5-62-87.1000111.9S54 F59 Q60 Q180 Q181 I184 W243S54-Y56 PolarHBondContact O-N 2.84Å; Y56-F59 PolarHBondContact O-N 3.44Å; Y56-Q60 PolarHBondContact O-N 3.37Å; Y56-Q180 HydrophobicContact CE1-CG 4.41Å; Y56-Q180 PolarHBondContact OH-OE1 3.31Å; Y56-Q181 HydrophobicContact CE2-CG 3.97Å; Y56-I184 HydrophobicContact CD1-CD1 3.46Å; Y56-I184 VanDerWaalsContact CD1-CD1 3.46Å; Y56-I184 HydrophobicContact CE1-CD1 3.26Å; Y56-I184 HydrophobicContact CG-CD1 4.27Å; Y56-W243 AromaticContact CD1-CD1 3.82Å; Y56-W243 AromaticContact CD1-CD2 3.66Å; Y56-W243 HydrophobicContact CD1-CD2 3.66Å; Y56-W243 AromaticContact CD1-CE2 3.42Å; Y56-W243 VanDerWaalsContact CD1-CE2 3.42Å; Y56-W243 HydrophobicContact CD1-CE3 4.26Å; Y56-W243 AromaticContact CD1-CG 3.91Å; Y56-W243 HydrophobicContact CD1-CG 3.91Å; Y56-W243 HydrophobicContact CD1-CH2 4.43Å; Y56-W243 AromaticContact CD1-CZ2 3.86Å; Y56-W243 HydrophobicContact CD1-CZ2 3.86Å; Y56-W243 AromaticContact CD1-NE1 3.51Å; Y56-W243 HydrophobicContact CE1-CZ2 4.41Å; Y56-W243 AromaticContact CE1-NE1 3.7Å; Y56-W243 HydrophobicContact CG-CD2 4.3Å; Y56-W243 HydrophobicContact CG-CE3 4.47Å; Y56-W243 HydrophobicContact CG-CH2 4.41Å; Y56-W243 HydrophobicContact CG-CZ2 4.24Å
57E86.3Confident84.1Confident77 Ų7761.3 Ų61.336%0.3630%0.296SS..Hα-helixtrans-68.6-31.6172.4-77.7172-124.600113H53 S54 Q60 R61H53-E57 HydrophobicContact CB-CB 4.21Å; H53-E57 IonicContact CE1-OE2 2.97Å; H53-E57 IonicContact CG-OE2 3.98Å; H53-E57 IonicContact ND1-OE2 2.64Å; H53-E57 PolarHBondContact ND1-OE2 2.92Å; S54-E57 WeakPolarHBondContact O-CB 3.17Å; S54-E57 PolarHBondContact O-N 2.91Å; S54-E57 VanDerWaalsContact O-N 3.12Å; S54-E57 WeakPolarHBondContact OG-CG 3.5Å; S54-E57 PolarHBondContact OG-N 3.39Å; S54-E57 PolarHBondContact OG-OE1 3.42Å; E57-Q60 PolarHBondContact O-N 3.05Å; E57-R61 WeakPolarHBondContact O-CG 3.49Å; E57-R61 PolarHBondContact O-NE 3.02Å; E57-R61 IonicContact OE2-NH2 2.66Å; E57-R61 PolarHBondContact OE2-NH2 3.21Å
58Y85.6Confident84.1Confident25 Ų2567 Ų6710%0.09832%0.322CS..Hα-helixtrans-71.6-33.5172.4-82.6-74.1000112.6H53 S54 I55 Q60 R61 W107H53-Y58 HydrophobicContact CB-CD2 4.1Å; H53-Y58 HydrophobicContact CB-CE2 3.64Å; S54-Y58 WeakPolarHBondContact O-CD2 3.19Å; S54-Y58 PolarHBondContact O-N 2.78Å; S54-Y58 VanDerWaalsContact O-N 3.12Å; I55-Y58 PolarHBondContact O-N 3.25Å; I55-Y58 VanDerWaalsContact O-N 3.17Å; Y58-Q60 PolarHBondContact O-N 3.33Å; Y58-R61 PolarHBondContact O-N 3.13Å; Y58-R61 VanDerWaalsContact O-N 3.09Å; Y58-W107 HydrophobicContact CD1-CB 4.15Å; Y58-W107 HydrophobicContact CD2-CB 3.6Å; Y58-W107 HydrophobicContact CD2-CG 4.3Å; Y58-W107 HydrophobicContact CE2-CB 3.96Å; Y58-W107 HydrophobicContact CG-CB 3.69Å
59F86.6Confident84.2Confident2 Ų264 Ų641%0.00931%0.307CS..Hα-helixtrans-62.3-24.3173.1-163-110.3000113I55 Y56 I184 L187 L188 R191 L240 W243 E244I55-F59 PolarHBondContact O-N 3.42Å; Y56-F59 PolarHBondContact O-N 3.44Å; F59-I184 HydrophobicContact CB-CG2 3.82Å; F59-I184 HydrophobicContact CD2-CG2 3.75Å; F59-I184 HydrophobicContact CG-CG2 3.97Å; F59-L187 HydrophobicContact CE2-CB 3.98Å; F59-L187 HydrophobicContact CE2-CD1 4.45Å; F59-L188 HydrophobicContact CD2-CD2 4.17Å; F59-L188 HydrophobicContact CD2-CG 4.17Å; F59-R191 VanDerWaalsContact CZ-NH1 3.25Å; F59-L240 HydrophobicContact CD1-CD1 3.94Å; F59-L240 HydrophobicContact CE1-CD1 3.56Å; F59-L240 HydrophobicContact CE1-CD2 4.19Å; F59-L240 HydrophobicContact CE1-CG 3.87Å; F59-L240 HydrophobicContact CE2-CD2 4.44Å; F59-L240 HydrophobicContact CZ-CD1 3.9Å; F59-L240 HydrophobicContact CZ-CD2 3.76Å; F59-L240 HydrophobicContact CZ-CG 3.98Å; F59-W243 HydrophobicContact CD1-CB 3.93Å; F59-W243 HydrophobicContact CE1-CB 4.46Å; F59-E244 HydrophobicContact CE1-CB 4.24Å
60Q85.1Confident84.4Confident79 Ų7964.6 Ų64.637%0.36932%0.316SS..THydrogen-bonded Turntrans-92.913.3176-66.8-174.5-21.900114.2Y56 E57 Y58 W243 I245Y56-Q60 PolarHBondContact O-N 3.37Å; E57-Q60 PolarHBondContact O-N 3.05Å; Y58-Q60 PolarHBondContact O-N 3.33Å; Q60-W243 WeakPolarHBondContact CG-O 3.47Å; Q60-W243 PolarHBondContact NE2-O 3.17Å; Q60-I245 HydrophobicContact CB-CD1 4.28Å; Q60-I245 HydrophobicContact CG-CG2 4.3Å; Q60-I245 VanDerWaalsContact O-CD1 3.24Å; Q60-I245 WeakPolarHBondContact O-CD1 3.46Å
61R81.4Confident84.8Confident89 Ų8960.6 Ų60.634%0.33630%0.304SS..SBendtrans-109.2155.6177.6-72.1170.6-161.8-143.9-2.5112.6H53 E57 Y58H53-R61 PolarHBondContact CD2-NH1 3.13Å; H53-R61 PolarHBondContact CD2-NH2 3.25Å; H53-R61 VanDerWaalsContact CD2-NH2 3.26Å; H53-R61 PolarHBondContact CE1-NH2 2.99Å; H53-R61 PolarHBondContact ND1-NH2 3.15Å; H53-R61 PolarHBondContact NE2-NH1 3.1Å; H53-R61 VanDerWaalsContact NE2-NH1 3.16Å; H53-R61 PolarHBondContact NE2-NH2 3.18Å; E57-R61 WeakPolarHBondContact O-CG 3.49Å; E57-R61 PolarHBondContact O-NE 3.02Å; E57-R61 IonicContact OE2-NH2 2.66Å; E57-R61 PolarHBondContact OE2-NH2 3.21Å; Y58-R61 PolarHBondContact O-N 3.13Å; Y58-R61 VanDerWaalsContact O-N 3.09Å
62D74.4Confident85.1Confident145 Ų14561.1 Ų61.178%0.77531%0.308SS*.PPolyproline II helixtrans-72.6149.2166.9-71.3-52.8000111.1
63Y81.1Confident85.6Confident30 Ų3059 Ų5912%0.11829%0.291CS..PPolyproline II helixtrans-86.7132.7-176.8-54.6-94.1000108.7L188 R191 Q192 F249Y63-L188 HydrophobicContact CE1-CD2 3.97Å; Y63-R191 HydrophobicContact CD1-CB 4.11Å; Y63-R191 HydrophobicContact CE1-CB 3.44Å; Y63-R191 VanDerWaalsContact CE1-CB 3.44Å; Y63-R191 HydrophobicContact CE2-CB 4.28Å; Y63-R191 VanDerWaalsContact OH-CD 3.23Å; Y63-R191 WeakPolarHBondContact OH-CD 3.36Å; Y63-Q192 HydrophobicContact CD1-CB 4.29Å; Y63-F249 AromaticContact CE2-CE2 3.95Å; Y63-F249 HydrophobicContact CE2-CE2 3.95Å
64L85.5Confident85.9Confident79 Ų7958.1 Ų58.141%0.41429%0.285SS..PPolyproline II helixtrans-91119.1174.5-64.2176.7000109.2E68 L69 Q192L64-E68 HydrophobicContact CD2-CB 4.39Å; L64-L69 HydrophobicContact CB-CD2 3.69Å; L64-L69 HydrophobicContact CD1-CD2 4.22Å; L64-Q192 PolarHBondContact O-NE2 3.36Å
65T88.8Confident86Confident31 Ų3163 Ų6319%0.1930%0.3CS..PPolyproline II helixtrans-73162.4173.264.40000111.3M67 E68 L69 S195 E196T65-M67 PolarHBondContact O-N 3.42Å; T65-E68 WeakPolarHBondContact CB-OE2 3.36Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.43Å; T65-E68 PolarHBondContact N-OE2 3.4Å; T65-E68 PolarHBondContact O-N 3.03Å; T65-E68 VanDerWaalsContact OG1-CD 3.28Å; T65-E68 PolarHBondContact OG1-OE2 2.88Å; T65-L69 WeakPolarHBondContact O-CG 3.19Å; T65-L69 PolarHBondContact O-N 3.48Å; T65-S195 WeakPolarHBondContact CG2-O 3.36Å; T65-E196 WeakPolarHBondContact CA-OE1 3.48Å; T65-E196 WeakPolarHBondContact CB-OE2 3.3Å
66F88.5Confident86Confident39 Ų3963 Ų6317%0.17130%0.3CS..G310 helixtrans-51.8-36.6-179.8172.8-98.1000112.8E68 L69 R74 I78 S115 I116 T119 C120 E196F66-E68 VanDerWaalsContact C-N 3.34Å; F66-E68 PolarHBondContact O-N 2.87Å; F66-L69 PolarHBondContact O-N 3.25Å; F66-R74 HydrophobicContact CD2-CG 4.32Å; F66-R74 VanDerWaalsContact CE2-CD 3.41Å; F66-R74 HydrophobicContact CE2-CG 3.92Å; F66-R74 VanDerWaalsContact CZ-CD 3.5Å; F66-R74 HydrophobicContact CZ-CG 4.42Å; F66-R74 VanDerWaalsContact O-CD 3.27Å; F66-R74 WeakPolarHBondContact O-CD 3.48Å; F66-R74 VanDerWaalsContact O-CZ 3.3Å; F66-R74 PolarHBondContact O-NE 2.94Å; F66-R74 PolarHBondContact O-NH1 3.26Å; F66-I78 HydrophobicContact CE2-CD1 4.35Å; F66-S115 VanDerWaalsContact CA-OG 3.31Å; F66-S115 WeakPolarHBondContact CA-OG 3.49Å; F66-S115 PolarHBondContact N-OG 2.98Å; F66-S115 VanDerWaalsContact N-OG 3.09Å; F66-I116 HydrophobicContact CD2-CG1 3.72Å; F66-I116 HydrophobicContact CE2-CG1 3.94Å; F66-T119 HydrophobicContact CB-CG2 3.88Å; F66-T119 WeakPolarHBondContact CD2-OG1 3.39Å; F66-T119 HydrophobicContact CG-CG2 4.39Å; F66-C120 VanDerWaalsContact CE2-SG 3.54Å; F66-E196 PolarHBondContact N-OE1 3.46Å; F66-E196 PolarHBondContact N-OE2 3.45Å
67M87.7Confident86.1Confident140 Ų14062 Ų6269%0.6930%0.296SS*.G310 helixtrans-73.7-25.3-177-67.3-62.6-75.300113.4T65 R74T65-M67 PolarHBondContact O-N 3.42Å; M67-R74 PolarHBondContact O-NH2 3.32Å; M67-R74 VanDerWaalsContact O-NH2 3.16Å
68E88.4Confident86.3Confident120 Ų12060.2 Ų60.256%0.56129%0.289SS*.G310 helixtrans-84.5-12.6179-67.1162.6135.100112.5L64 T65 F66L64-E68 HydrophobicContact CD2-CB 4.39Å; T65-E68 WeakPolarHBondContact CB-OE2 3.36Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.43Å; T65-E68 PolarHBondContact N-OE2 3.4Å; T65-E68 PolarHBondContact O-N 3.03Å; T65-E68 VanDerWaalsContact OG1-CD 3.28Å; T65-E68 PolarHBondContact OG1-OE2 2.88Å; F66-E68 VanDerWaalsContact C-N 3.34Å; F66-E68 PolarHBondContact O-N 2.87Å
69L87.9Confident86.5Confident4 Ų460.3 Ų60.32%0.02129%0.29CS..SBendtrans-69.8135.9178.1-56.2-170.1000112L64 T65 F66 R74 Q112 I116L64-L69 HydrophobicContact CB-CD2 3.69Å; L64-L69 HydrophobicContact CD1-CD2 4.22Å; T65-L69 WeakPolarHBondContact O-CG 3.19Å; T65-L69 PolarHBondContact O-N 3.48Å; F66-L69 PolarHBondContact O-N 3.25Å; L69-R74 HydrophobicContact CB-CG 3.66Å; L69-R74 HydrophobicContact CD1-CG 4.23Å; L69-R74 VanDerWaalsContact O-CZ 3.22Å; L69-R74 PolarHBondContact O-NE 3.16Å; L69-R74 PolarHBondContact O-NH2 2.89Å; L69-Q112 HydrophobicContact CD1-CB 4.12Å; L69-Q112 HydrophobicContact CD1-CG 4.17Å; L69-Q112 HydrophobicContact CD2-CG 3.7Å; L69-I116 HydrophobicContact CD1-CD1 4.01Å; L69-I116 HydrophobicContact CD1-CG1 4.23Å
70N87.2Confident86.7Confident90 Ų9060.2 Ų60.248%0.48129%0.289SS..  trans-53.8135.5171.9175.1-58.3000110.4S72 R73 R74N70-S72 VanDerWaalsContact C-N 3.35Å; N70-S72 PolarHBondContact O-N 3.16Å; N70-S72 PolarHBondContact OD1-N 2.84Å; N70-R73 HydrophobicContact CB-CG 4.14Å; N70-R73 WeakPolarHBondContact O-CB 3.48Å; N70-R73 PolarHBondContact O-N 3.21Å; N70-R73 VanDerWaalsContact O-N 3.1Å; N70-R74 PolarHBondContact O-N 3.46Å; N70-R74 VanDerWaalsContact O-N 3.11Å
71P87.5Confident87Confident64 Ų6457.1 Ų57.142%0.41628%0.276SS..Hα-helixtrans-52.6-43.9-177.5-28.936.1000114.7R73 R74 Y75P71-R73 VanDerWaalsContact C-N 3.29Å; P71-R73 PolarHBondContact O-N 3.43Å; P71-R74 WeakPolarHBondContact O-CB 3.43Å; P71-R74 PolarHBondContact O-N 2.88Å; P71-R74 VanDerWaalsContact O-N 3.1Å; P71-Y75 HydrophobicContact CB-CD2 4.4Å; P71-Y75 HydrophobicContact CB-CE2 3.76Å; P71-Y75 WeakPolarHBondContact O-CD2 3.5Å; P71-Y75 VanDerWaalsContact O-CG 3.3Å; P71-Y75 PolarHBondContact O-N 3.14Å
72S83.9Confident87.4Confident32 Ų3259.4 Ų59.422%0.22429%0.294CS..Hα-helixtrans-63.6-35.2-179.7-49.30000112.1N70 C76N70-S72 VanDerWaalsContact C-N 3.35Å; N70-S72 PolarHBondContact O-N 3.16Å; N70-S72 PolarHBondContact OD1-N 2.84Å; S72-C76 WeakPolarHBondContact O-CB 3.26Å; S72-C76 PolarHBondContact O-N 2.93Å
73R87.1Confident88.2Confident78 Ų7855.5 Ų55.529%0.29427%0.273SS..Hα-helixtrans-64.6-45.8172-63.2-161.9172175-1.4111.6W15 N70 P71 C76 M77W15-R73 HydrophobicContact CB-CG 4.15Å; W15-R73 HydrophobicContact CD2-CB 4.37Å; W15-R73 HydrophobicContact CD2-CG 3.57Å; W15-R73 HydrophobicContact CE3-CB 4.32Å; W15-R73 HydrophobicContact CE3-CG 4Å; W15-R73 HydrophobicContact CG-CG 3.59Å; N70-R73 HydrophobicContact CB-CG 4.14Å; N70-R73 WeakPolarHBondContact O-CB 3.48Å; N70-R73 PolarHBondContact O-N 3.21Å; N70-R73 VanDerWaalsContact O-N 3.1Å; P71-R73 VanDerWaalsContact C-N 3.29Å; P71-R73 PolarHBondContact O-N 3.43Å; R73-C76 PolarHBondContact O-N 3.29Å; R73-M77 HydrophobicContact CB-CE 4.45Å; R73-M77 WeakPolarHBondContact O-CB 3.34Å; R73-M77 WeakPolarHBondContact O-CG 3.43Å; R73-M77 PolarHBondContact O-N 2.9Å
74R90Very high88.5Confident44 Ų4454.2 Ų54.217%0.16627%0.268CS..Hα-helixtrans-59.4-49.3176.1-76.6-172.4-94.3-175.4-10.8111.5F66 M67 L69 N70 P71 C76 M77 I78 I116F66-R74 HydrophobicContact CD2-CG 4.32Å; F66-R74 VanDerWaalsContact CE2-CD 3.41Å; F66-R74 HydrophobicContact CE2-CG 3.92Å; F66-R74 VanDerWaalsContact CZ-CD 3.5Å; F66-R74 HydrophobicContact CZ-CG 4.42Å; F66-R74 VanDerWaalsContact O-CD 3.27Å; F66-R74 WeakPolarHBondContact O-CD 3.48Å; F66-R74 VanDerWaalsContact O-CZ 3.3Å; F66-R74 PolarHBondContact O-NE 2.94Å; F66-R74 PolarHBondContact O-NH1 3.26Å; M67-R74 PolarHBondContact O-NH2 3.32Å; M67-R74 VanDerWaalsContact O-NH2 3.16Å; L69-R74 HydrophobicContact CB-CG 3.66Å; L69-R74 HydrophobicContact CD1-CG 4.23Å; L69-R74 VanDerWaalsContact O-CZ 3.22Å; L69-R74 PolarHBondContact O-NE 3.16Å; L69-R74 PolarHBondContact O-NH2 2.89Å; N70-R74 PolarHBondContact O-N 3.46Å; N70-R74 VanDerWaalsContact O-N 3.11Å; P71-R74 WeakPolarHBondContact O-CB 3.43Å; P71-R74 PolarHBondContact O-N 2.88Å; P71-R74 VanDerWaalsContact O-N 3.1Å; R74-C76 PolarHBondContact O-N 3Å; R74-M77 PolarHBondContact O-N 2.98Å; R74-I78 HydrophobicContact CB-CD1 4.36Å; R74-I78 WeakPolarHBondContact O-CB 3.43Å; R74-I78 WeakPolarHBondContact O-CD1 3.23Å; R74-I78 WeakPolarHBondContact O-CG1 3.49Å; R74-I78 PolarHBondContact O-N 3.01Å; R74-I116 HydrophobicContact CG-CD1 4.26Å
75Y88Confident88.7Confident133 Ų13355.2 Ų55.252%0.52227%0.274SS..Hα-helixtrans-63-41.5-179-57.5-42.9000112.4P71 Q79P71-Y75 HydrophobicContact CB-CD2 4.4Å; P71-Y75 HydrophobicContact CB-CE2 3.76Å; P71-Y75 WeakPolarHBondContact O-CD2 3.5Å; P71-Y75 VanDerWaalsContact O-CG 3.3Å; P71-Y75 PolarHBondContact O-N 3.14Å; Y75-Q79 WeakPolarHBondContact O-CG 3.38Å; Y75-Q79 PolarHBondContact O-N 3.02Å; Y75-Q79 PolarHBondContact O-OE1 2.75Å
76C87.1Confident88.8Confident0 Ų055.1 Ų55.10%027%0.272CS..Hα-helixtrans-62.9-47.5175.1-179.50000112.7W15 T18 H19 S72 R73 R74 Q79 F80W15-C76 HydrophobicContact CE3-CB 4.18Å; T18-C76 VanDerWaalsContact CG2-SG 3.54Å; H19-C76 HydrophobicContact CB-CB 4.36Å; S72-C76 WeakPolarHBondContact O-CB 3.26Å; S72-C76 PolarHBondContact O-N 2.93Å; R73-C76 PolarHBondContact O-N 3.29Å; R74-C76 PolarHBondContact O-N 3Å; C76-Q79 WeakPolarHBondContact O-CB 3.44Å; C76-Q79 PolarHBondContact O-N 3.22Å; C76-F80 WeakPolarHBondContact O-CD2 3.16Å; C76-F80 PolarHBondContact O-N 2.76Å; C76-F80 VanDerWaalsContact O-N 3.11Å
77M89.6Confident89Confident0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-72.3-32.2179.3-69.1-179.9-157.500113.2W15 F46 R73 R74 Q79 F80 V81 Q112 I116W15-M77 HydrophobicContact CE3-CE 4.49Å; W15-M77 HydrophobicContact CH2-CE 3.64Å; W15-M77 HydrophobicContact CZ3-CE 3.62Å; W15-M77 HydrophobicContact CZ3-CG 4.5Å; F46-M77 HydrophobicContact CE2-CE 3.76Å; F46-M77 HydrophobicContact CE2-CG 3.9Å; F46-M77 HydrophobicContact CE2-SD 4.29Å; F46-M77 HydrophobicContact CZ-CE 3.95Å; F46-M77 HydrophobicContact CZ-CG 3.87Å; F46-M77 HydrophobicContact CZ-SD 4.02Å; R73-M77 HydrophobicContact CB-CE 4.45Å; R73-M77 WeakPolarHBondContact O-CB 3.34Å; R73-M77 WeakPolarHBondContact O-CG 3.43Å; R73-M77 PolarHBondContact O-N 2.9Å; R74-M77 PolarHBondContact O-N 2.98Å; M77-Q79 VanDerWaalsContact C-N 3.33Å; M77-F80 PolarHBondContact O-N 3.05Å; M77-V81 WeakPolarHBondContact O-CB 3.43Å; M77-V81 PolarHBondContact O-N 3.49Å; M77-Q112 HydrophobicContact CE-CB 3.58Å; M77-Q112 HydrophobicContact CE-CG 4.35Å; M77-Q112 HydrophobicContact SD-CB 3.53Å; M77-Q112 VanDerWaalsContact SD-CB 3.53Å; M77-I116 HydrophobicContact CB-CD1 3.39Å; M77-I116 HydrophobicContact CG-CD1 4.21Å; M77-I116 HydrophobicContact SD-CD1 3.83Å
78I91Very high89.3Confident41 Ų4154.8 Ų54.821%0.2127%0.271CS..Hα-helixtrans-64.4-37.9169.8-70.8167.7000110.4F66 R74 V81 L82 I116F66-I78 HydrophobicContact CE2-CD1 4.35Å; R74-I78 HydrophobicContact CB-CD1 4.36Å; R74-I78 WeakPolarHBondContact O-CB 3.43Å; R74-I78 WeakPolarHBondContact O-CD1 3.23Å; R74-I78 WeakPolarHBondContact O-CG1 3.49Å; R74-I78 PolarHBondContact O-N 3.01Å; I78-V81 PolarHBondContact O-N 2.91Å; I78-L82 HydrophobicContact CG2-CD1 3.64Å; I78-L82 HydrophobicContact CG2-CG 4.16Å; I78-L82 WeakPolarHBondContact O-CB 3.46Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 3.18Å; I78-L82 PolarHBondContact O-N 3.12Å; I78-I116 HydrophobicContact CG1-CG2 3.79Å
79Q89.6Confident89.6Confident26 Ų2649 Ų4912%0.12124%0.244CC..Hα-helixtrans-61.5-49.7172.5-77.7168.3-4600111.6H19 I22 Y75 C76 M77 V81 L82 L83H19-Q79 PolarHBondContact CE1-NE2 3.17Å; H19-Q79 VanDerWaalsContact ND1-CD 3.26Å; H19-Q79 PolarHBondContact ND1-NE2 3.41Å; H19-Q79 PolarHBondContact ND1-OE1 3.3Å; I22-Q79 HydrophobicContact CD1-CB 4.35Å; I22-Q79 HydrophobicContact CG2-CB 4.1Å; I22-Q79 HydrophobicContact CG2-CG 4.37Å; Y75-Q79 WeakPolarHBondContact O-CG 3.38Å; Y75-Q79 PolarHBondContact O-N 3.02Å; Y75-Q79 PolarHBondContact O-OE1 2.75Å; C76-Q79 WeakPolarHBondContact O-CB 3.44Å; C76-Q79 PolarHBondContact O-N 3.22Å; M77-Q79 VanDerWaalsContact C-N 3.33Å; Q79-V81 VanDerWaalsContact C-N 3.26Å; Q79-V81 PolarHBondContact O-N 3.14Å; Q79-L82 PolarHBondContact O-N 3.42Å; Q79-L82 VanDerWaalsContact O-N 3.14Å; Q79-L83 HydrophobicContact CB-CD1 4.04Å; Q79-L83 VanDerWaalsContact O-CB 3.27Å; Q79-L83 WeakPolarHBondContact O-CB 3.34Å; Q79-L83 WeakPolarHBondContact O-CD1 3.25Å; Q79-L83 WeakPolarHBondContact O-CG 3.43Å; Q79-L83 PolarHBondContact O-N 3.27Å
80F90.9Very high89.9Confident0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-53.6-46.2174.2-73.1-61.6000111.4F12 I22 I39 L42 F43 F46 C76 M77 L82 L83 L84F12-F80 HydrophobicContact CE1-CE2 4.35Å; F12-F80 HydrophobicContact CE1-CZ 4.25Å; I22-F80 HydrophobicContact CD1-CE1 4.13Å; I22-F80 HydrophobicContact CD1-CE2 4.19Å; I22-F80 HydrophobicContact CD1-CZ 3.96Å; I39-F80 HydrophobicContact CG2-CD1 4.02Å; I39-F80 HydrophobicContact CG2-CE1 4.3Å; L42-F80 HydrophobicContact CB-CE1 4.24Å; L42-F80 HydrophobicContact CD2-CE1 3.93Å; L42-F80 HydrophobicContact CD2-CZ 3.8Å; L42-F80 HydrophobicContact CG-CE1 4.05Å; L42-F80 HydrophobicContact CG-CZ 3.86Å; F43-F80 HydrophobicContact CB-CD1 3.95Å; F43-F80 HydrophobicContact CB-CE1 3.92Å; F43-F80 HydrophobicContact CD2-CB 4.11Å; F43-F80 AromaticContact CD2-CD1 3.84Å; F43-F80 HydrophobicContact CD2-CD1 3.84Å; F43-F80 HydrophobicContact CD2-CD2 4.43Å; F43-F80 HydrophobicContact CD2-CE1 4.32Å; F43-F80 AromaticContact CD2-CG 3.9Å; F43-F80 HydrophobicContact CD2-CG 3.9Å; F43-F80 HydrophobicContact CE2-CB 4.44Å; F43-F80 HydrophobicContact CG-CD1 4.33Å; F46-F80 HydrophobicContact CB-CE2 4.37Å; F46-F80 HydrophobicContact CB-CZ 4.3Å; F46-F80 AromaticContact CD2-CE2 4Å; F46-F80 HydrophobicContact CD2-CE2 4Å; F46-F80 HydrophobicContact CE2-CE2 4.46Å; F46-F80 HydrophobicContact CG-CE2 4.18Å; C76-F80 WeakPolarHBondContact O-CD2 3.16Å; C76-F80 PolarHBondContact O-N 2.76Å; C76-F80 VanDerWaalsContact O-N 3.11Å; M77-F80 PolarHBondContact O-N 3.05Å; F80-L82 VanDerWaalsContact C-N 3.33Å; F80-L82 PolarHBondContact O-N 2.94Å; F80-L83 PolarHBondContact O-N 3.29Å; F80-L84 HydrophobicContact CD1-CD1 4.27Å; F80-L84 WeakPolarHBondContact O-CB 3.31Å; F80-L84 PolarHBondContact O-N 2.85Å
81V91.1Very high90.2Very high14 Ų1451.1 Ų51.19%0.08525%0.252CS..Hα-helixtrans-63.9-27.3178.7148.20000115.3M77 I78 Q79 I89 L113 I116 I117 I121M77-V81 WeakPolarHBondContact O-CB 3.43Å; M77-V81 PolarHBondContact O-N 3.49Å; I78-V81 PolarHBondContact O-N 2.91Å; Q79-V81 VanDerWaalsContact C-N 3.26Å; Q79-V81 PolarHBondContact O-N 3.14Å; V81-I89 HydrophobicContact CG2-CD1 4.02Å; V81-L113 HydrophobicContact CG2-CD1 3.89Å; V81-I116 HydrophobicContact CG2-CG2 4.19Å; V81-I117 HydrophobicContact CG2-CG1 4.12Å; V81-I121 HydrophobicContact CB-CD1 4.22Å; V81-I121 HydrophobicContact CG1-CD1 3.38Å; V81-I121 HydrophobicContact CG1-CG1 3.47Å; V81-I121 VanDerWaalsContact CG1-CG1 3.47Å; V81-I121 HydrophobicContact CG2-CD1 3.9Å
82L89.3Confident90.5Very high137 Ų13751 Ų5172%0.71724%0.243SC*.Hα-helixtrans-96.1-19.3179.6-69.5175.5000113.4I78 Q79 F80I78-L82 HydrophobicContact CG2-CD1 3.64Å; I78-L82 HydrophobicContact CG2-CG 4.16Å; I78-L82 WeakPolarHBondContact O-CB 3.46Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 3.18Å; I78-L82 PolarHBondContact O-N 3.12Å; Q79-L82 PolarHBondContact O-N 3.42Å; Q79-L82 VanDerWaalsContact O-N 3.14Å; F80-L82 VanDerWaalsContact C-N 3.33Å; F80-L82 PolarHBondContact O-N 2.94Å
83L91Very high91Very high63 Ų6349.5 Ų49.533%0.3323%0.233SC..Hα-helixtrans-101.7-28.3-176.8-61.4168.1000112.5I22 L26 I39 Q79 F80I22-L83 HydrophobicContact CG2-CD1 3.55Å; L26-L83 HydrophobicContact CD1-CD1 3.86Å; L26-L83 HydrophobicContact CD1-CD2 4.08Å; L26-L83 HydrophobicContact CD2-CD1 4.23Å; L26-L83 HydrophobicContact CD2-CD2 3.69Å; L26-L83 HydrophobicContact CG-CD1 4.4Å; I39-L83 HydrophobicContact CD1-CB 4.25Å; I39-L83 HydrophobicContact CD1-CD1 3.94Å; I39-L83 HydrophobicContact CG2-CB 4.33Å; Q79-L83 HydrophobicContact CB-CD1 4.04Å; Q79-L83 VanDerWaalsContact O-CB 3.27Å; Q79-L83 WeakPolarHBondContact O-CB 3.34Å; Q79-L83 WeakPolarHBondContact O-CD1 3.25Å; Q79-L83 WeakPolarHBondContact O-CG 3.43Å; Q79-L83 PolarHBondContact O-N 3.27Å; F80-L83 PolarHBondContact O-N 3.29Å
84L89.2Confident91.3Very high4 Ų446.5 Ų46.52%0.02122%0.223CC..SBendtrans-106.8127.9172-55.2175.9000108.4I39 E40 F43 F80 Y88 I89I39-L84 HydrophobicContact CB-CD2 4.48Å; I39-L84 HydrophobicContact CG2-CD1 4.18Å; I39-L84 HydrophobicContact CG2-CD2 3.95Å; I39-L84 HydrophobicContact CG2-CG 3.94Å; E40-L84 HydrophobicContact CG-CD2 3.65Å; F43-L84 HydrophobicContact CB-CD1 3.55Å; F43-L84 HydrophobicContact CD1-CD1 3.89Å; F43-L84 HydrophobicContact CD2-CD1 4.07Å; F43-L84 HydrophobicContact CG-CD1 3.57Å; F80-L84 HydrophobicContact CD1-CD1 4.27Å; F80-L84 WeakPolarHBondContact O-CB 3.31Å; F80-L84 PolarHBondContact O-N 2.85Å; L84-Y88 HydrophobicContact CB-CD1 4.01Å; L84-Y88 HydrophobicContact CD1-CD1 4.26Å; L84-Y88 HydrophobicContact CD1-CE1 4.04Å; L84-Y88 HydrophobicContact CD2-CD1 4.38Å; L84-Y88 HydrophobicContact CD2-CE1 4.31Å; L84-Y88 HydrophobicContact CG-CD1 4.46Å; L84-I89 HydrophobicContact CB-CD1 4.07Å; L84-I89 HydrophobicContact CB-CG1 3.89Å
85D88.5Confident91.4Very high99 Ų9947.4 Ų47.453%0.52923%0.23SC..  trans-58.2143.3-178.9-170.1-71.4000111.2N87 Y88 I89D85-N87 PolarHBondContact O-N 3.01Å; D85-N87 VanDerWaalsContact O-N 3.15Å; D85-N87 VanDerWaalsContact OD1-CB 3.26Å; D85-N87 WeakPolarHBondContact OD1-CB 3.09Å; D85-N87 PolarHBondContact OD1-N 3.07Å; D85-N87 PolarHBondContact OD1-ND2 3.32Å; D85-Y88 WeakPolarHBondContact O-CA 3.48Å; D85-Y88 WeakPolarHBondContact O-CB 3.27Å; D85-Y88 PolarHBondContact O-N 3.35Å; D85-I89 PolarHBondContact O-N 3.24Å
86L92Very high91.5Very high29 Ų2941 Ų4115%0.15221%0.205CC..Hα-helixtrans-56.2-32.6178.817858000112.3S90 I117 I121 T127L86-S90 VanDerWaalsContact O-CB 3.28Å; L86-S90 WeakPolarHBondContact O-CB 3.44Å; L86-S90 PolarHBondContact O-N 3.33Å; L86-S90 PolarHBondContact O-OG 3.4Å; L86-I117 HydrophobicContact CD1-CG1 4.48Å; L86-I117 HydrophobicContact CD1-CG2 4.01Å; L86-I121 HydrophobicContact CD1-CD1 3.86Å; L86-I121 HydrophobicContact CD2-CG2 3.96Å; L86-T127 HydrophobicContact CD1-CG2 3.95Å; L86-T127 HydrophobicContact CD2-CG2 4.49Å; L86-T127 WeakPolarHBondContact CD2-OG1 3.42Å; L86-T127 HydrophobicContact CG-CG2 4.08Å
87N93.1Very high91.7Very high113 Ų11341.2 Ų41.260%0.60421%0.206SC*.Hα-helixtrans-64-50.3173.6-62.1-75.2000110.6D85 I89 S90 E91D85-N87 PolarHBondContact O-N 3.01Å; D85-N87 VanDerWaalsContact O-N 3.15Å; D85-N87 VanDerWaalsContact OD1-CB 3.26Å; D85-N87 WeakPolarHBondContact OD1-CB 3.09Å; D85-N87 PolarHBondContact OD1-N 3.07Å; D85-N87 PolarHBondContact OD1-ND2 3.32Å; N87-I89 PolarHBondContact O-N 2.84Å; N87-S90 PolarHBondContact O-N 3.41Å; N87-S90 VanDerWaalsContact O-N 3.12Å; N87-S90 PolarHBondContact O-OG 2.98Å; N87-E91 WeakPolarHBondContact O-CB 3.49Å; N87-E91 PolarHBondContact O-N 2.97Å
88Y93.7Very high91.6Very high59 Ų5945 Ų4523%0.23122%0.22CC..Hα-helixtrans-56.7-48.5176.1176.9-85.6000111.3E40 F43 L84 D85 S90 E91 R92E40-Y88 WeakPolarHBondContact CB-OH 3.32Å; E40-Y88 HydrophobicContact CG-CE1 4.19Å; E40-Y88 HydrophobicContact CG-CE2 4.18Å; E40-Y88 WeakPolarHBondContact CG-OH 3.43Å; F43-Y88 HydrophobicContact CD1-CE1 4.24Å; L84-Y88 HydrophobicContact CB-CD1 4.01Å; L84-Y88 HydrophobicContact CD1-CD1 4.26Å; L84-Y88 HydrophobicContact CD1-CE1 4.04Å; L84-Y88 HydrophobicContact CD2-CD1 4.38Å; L84-Y88 HydrophobicContact CD2-CE1 4.31Å; L84-Y88 HydrophobicContact CG-CD1 4.46Å; D85-Y88 WeakPolarHBondContact O-CA 3.48Å; D85-Y88 WeakPolarHBondContact O-CB 3.27Å; D85-Y88 PolarHBondContact O-N 3.35Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 3.11Å; Y88-E91 PolarHBondContact O-N 3.49Å; Y88-R92 WeakPolarHBondContact O-CB 3.19Å; Y88-R92 PolarHBondContact O-N 2.98Å
89I94Very high91.2Very high0 Ų048.8 Ų48.80%024%0.241CC..Hα-helixtrans-59.3-42.6176.9-69.2176.1000110.9F43 V81 L84 D85 N87 R92 L93 L113 I117F43-I89 HydrophobicContact CE1-CG1 4.37Å; F43-I89 HydrophobicContact CZ-CB 4.48Å; F43-I89 HydrophobicContact CZ-CG1 4.13Å; F43-I89 HydrophobicContact CZ-CG2 4.05Å; V81-I89 HydrophobicContact CG2-CD1 4.02Å; L84-I89 HydrophobicContact CB-CD1 4.07Å; L84-I89 HydrophobicContact CB-CG1 3.89Å; D85-I89 PolarHBondContact O-N 3.24Å; N87-I89 PolarHBondContact O-N 2.84Å; I89-R92 PolarHBondContact O-N 3.38Å; I89-L93 HydrophobicContact CG2-CD1 3.9Å; I89-L93 HydrophobicContact CG2-CG 4.43Å; I89-L93 WeakPolarHBondContact O-CB 3.48Å; I89-L93 VanDerWaalsContact O-CG 3.25Å; I89-L93 WeakPolarHBondContact O-CG 3.44Å; I89-L93 PolarHBondContact O-N 3.49Å; I89-L113 HydrophobicContact CG2-CD2 4.15Å; I89-I117 HydrophobicContact CG2-CD1 3.82Å
90S93.8Very high90.6Very high13 Ų1349.9 Ų49.99%0.09125%0.248CC..Hα-helixtrans-69.3-40.1-179.475.20000113.4L86 N87 Y88 L94 T127L86-S90 VanDerWaalsContact O-CB 3.28Å; L86-S90 WeakPolarHBondContact O-CB 3.44Å; L86-S90 PolarHBondContact O-N 3.33Å; L86-S90 PolarHBondContact O-OG 3.4Å; N87-S90 PolarHBondContact O-N 3.41Å; N87-S90 VanDerWaalsContact O-N 3.12Å; N87-S90 PolarHBondContact O-OG 2.98Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 3.11Å; S90-L94 WeakPolarHBondContact O-CB 3.48Å; S90-L94 WeakPolarHBondContact O-CG 3.2Å; S90-L94 PolarHBondContact O-N 2.93Å; S90-T127 VanDerWaalsContact CB-CG2 3.41Å
91E93.9Very high90.2Very high124 Ų12453.1 Ų53.158%0.57927%0.265SS*.Hα-helixtrans-64.6-45.9174.6-178.9175.4-174.300110N87 Y88 L94 I95N87-E91 WeakPolarHBondContact O-CB 3.49Å; N87-E91 PolarHBondContact O-N 2.97Å; Y88-E91 PolarHBondContact O-N 3.49Å; E91-L94 WeakPolarHBondContact O-CB 3.31Å; E91-L94 PolarHBondContact O-N 2.87Å; E91-L94 VanDerWaalsContact O-N 3.16Å; E91-I95 HydrophobicContact CG-CD1 3.88Å; E91-I95 HydrophobicContact CG-CG1 4.5Å; E91-I95 WeakPolarHBondContact O-CG1 3.37Å; E91-I95 PolarHBondContact O-N 3.12Å
92R94Very high90Very high61 Ų6152.5 Ų52.523%0.2326%0.261CS..Hα-helixtrans-69.5-36-179.7-123.3-55.9176.7175.314.8113.2F43 E44 Y88 I89 L94 I95 T96F43-R92 HydrophobicContact CE1-CB 4.34Å; E44-R92 IonicContact OE1-CZ 2.84Å; E44-R92 IonicContact OE1-NE 2.6Å; E44-R92 PolarHBondContact OE1-NE 3.01Å; E44-R92 IonicContact OE1-NH2 2.9Å; E44-R92 PolarHBondContact OE1-NH2 3.13Å; E44-R92 WeakPolarHBondContact OE2-CD 3.33Å; E44-R92 IonicContact OE2-CZ 3.78Å; E44-R92 IonicContact OE2-NE 3.2Å; E44-R92 PolarHBondContact OE2-NE 3.45Å; E44-R92 IonicContact OE2-NH1 2.66Å; E44-R92 IonicContact OE2-NH2 3.22Å; E44-R92 PolarHBondContact OE2-NH2 3.34Å; E44-R92 VanDerWaalsContact OE2-NH2 3.13Å; Y88-R92 WeakPolarHBondContact O-CB 3.19Å; Y88-R92 PolarHBondContact O-N 2.98Å; I89-R92 PolarHBondContact O-N 3.38Å; R92-L94 VanDerWaalsContact C-N 3.32Å; R92-I95 PolarHBondContact O-N 2.98Å; R92-T96 WeakPolarHBondContact CD-OG1 3.45Å; R92-T96 PolarHBondContact NH1-OG1 3.46Å; R92-T96 WeakPolarHBondContact O-CB 3.31Å; R92-T96 PolarHBondContact O-N 2.99Å; R92-T96 PolarHBondContact O-OG1 2.91Å; R92-T96 VanDerWaalsContact O-OG1 3.06Å
93L94Very high89.7Confident1 Ų147.9 Ų47.91%0.00524%0.237CC..Hα-helixtrans-60.1-43.3169.7-77171000111.1L47 I89 T96 L97 I110 L113 I114 I117 I131L47-L93 HydrophobicContact CD2-CD2 3.87Å; I89-L93 HydrophobicContact CG2-CD1 3.9Å; I89-L93 HydrophobicContact CG2-CG 4.43Å; I89-L93 WeakPolarHBondContact O-CB 3.48Å; I89-L93 VanDerWaalsContact O-CG 3.25Å; I89-L93 WeakPolarHBondContact O-CG 3.44Å; I89-L93 PolarHBondContact O-N 3.49Å; L93-T96 PolarHBondContact O-N 3.09Å; L93-L97 WeakPolarHBondContact O-CB 3.16Å; L93-L97 WeakPolarHBondContact O-CD1 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 3.15Å; L93-I110 HydrophobicContact CD2-CD1 3.66Å; L93-L113 HydrophobicContact CD1-CD2 4.1Å; L93-L113 HydrophobicContact CD2-CD2 4.2Å; L93-L113 HydrophobicContact CG-CD2 4.44Å; L93-I114 HydrophobicContact CD1-CD1 4.4Å; L93-I117 HydrophobicContact CD1-CD1 4.14Å; L93-I131 HydrophobicContact CB-CD1 4.41Å; L93-I131 HydrophobicContact CD1-CD1 4.12Å
94L93.3Very high89.4Confident16 Ų1651 Ų518%0.08425%0.25CC..Hα-helixtrans-64.5-44.8176.5-78.7168.3000113S90 E91 R92 R98 F130 I131 Q134 L135S90-L94 WeakPolarHBondContact O-CB 3.48Å; S90-L94 WeakPolarHBondContact O-CG 3.2Å; S90-L94 PolarHBondContact O-N 2.93Å; E91-L94 WeakPolarHBondContact O-CB 3.31Å; E91-L94 PolarHBondContact O-N 2.87Å; E91-L94 VanDerWaalsContact O-N 3.16Å; R92-L94 VanDerWaalsContact C-N 3.32Å; L94-R98 VanDerWaalsContact O-CB 3.24Å; L94-R98 WeakPolarHBondContact O-CB 3.24Å; L94-R98 VanDerWaalsContact O-CG 3.28Å; L94-R98 WeakPolarHBondContact O-CG 3.33Å; L94-R98 PolarHBondContact O-N 3.31Å; L94-F130 HydrophobicContact CD1-CE1 4.26Å; L94-I131 HydrophobicContact CD1-CG1 4.42Å; L94-I131 HydrophobicContact CD2-CB 4.46Å; L94-I131 HydrophobicContact CD2-CG2 4Å; L94-I131 HydrophobicContact CG-CG1 4.24Å; L94-I131 HydrophobicContact CG-CG2 4.27Å; L94-Q134 HydrophobicContact CD1-CB 4.15Å; L94-Q134 HydrophobicContact CD1-CG 4.32Å; L94-Q134 HydrophobicContact CD2-CB 3.62Å; L94-L135 HydrophobicContact CD2-CD2 3.86Å; L94-L135 HydrophobicContact CD2-CG 3.85Å
95I91.5Very high89.3Confident62 Ų6250.8 Ų50.832%0.31825%0.249SC..Hα-helixtrans-61.8-48.7175.7-69.2168.4000110.1E91 R92 L97 R98 N99E91-I95 HydrophobicContact CG-CD1 3.88Å; E91-I95 HydrophobicContact CG-CG1 4.5Å; E91-I95 WeakPolarHBondContact O-CG1 3.37Å; E91-I95 PolarHBondContact O-N 3.12Å; R92-I95 PolarHBondContact O-N 2.98Å; I95-L97 PolarHBondContact O-N 3.39Å; I95-R98 PolarHBondContact O-N 3.29Å; I95-N99 VanDerWaalsContact O-CB 3.31Å; I95-N99 WeakPolarHBondContact O-CB 3.38Å; I95-N99 PolarHBondContact O-N 2.8Å
96T91Very high89.3Confident0 Ų046.4 Ų46.40%023%0.225CC..Hα-helixtrans-66.2-37.7-176.2-680000111.9L47 L48 R92 L93 N100 I105L47-T96 HydrophobicContact CB-CG2 4.34Å; L47-T96 HydrophobicContact CD1-CG2 4.38Å; L48-T96 HydrophobicContact CD2-CG2 4.04Å; R92-T96 WeakPolarHBondContact CD-OG1 3.45Å; R92-T96 PolarHBondContact NH1-OG1 3.46Å; R92-T96 WeakPolarHBondContact O-CB 3.31Å; R92-T96 PolarHBondContact O-N 2.99Å; R92-T96 PolarHBondContact O-OG1 2.91Å; R92-T96 VanDerWaalsContact O-OG1 3.06Å; L93-T96 PolarHBondContact O-N 3.09Å; T96-N100 WeakPolarHBondContact CA-ND2 3.18Å; T96-N100 PolarHBondContact O-ND2 3.38Å; T96-I105 HydrophobicContact CG2-CD1 4.03Å; T96-I105 HydrophobicContact CG2-CG1 4.3Å; T96-I105 WeakPolarHBondContact O-CD1 3.45Å
97L91.3Very high89.2Confident3 Ų345.1 Ų45.12%0.01622%0.219CC..Hα-helixtrans-79.7-16.3176.2-67.8169.1000114.4L93 I95 L102 I105 W107 L135 Y178 I189L93-L97 WeakPolarHBondContact O-CB 3.16Å; L93-L97 WeakPolarHBondContact O-CD1 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 3.15Å; I95-L97 PolarHBondContact O-N 3.39Å; L97-L102 HydrophobicContact CD2-CD2 4.33Å; L97-I105 HydrophobicContact CD2-CD1 3.85Å; L97-W107 HydrophobicContact CD2-CH2 3.38Å; L97-W107 HydrophobicContact CD2-CZ2 3.76Å; L97-W107 HydrophobicContact CD2-CZ3 4.17Å; L97-L135 HydrophobicContact CB-CD1 4.33Å; L97-L135 HydrophobicContact CB-CD2 3.89Å; L97-L135 HydrophobicContact CD1-CD1 3.78Å; L97-Y178 PolarHBondContact O-OH 3.18Å; L97-I189 HydrophobicContact CD1-CD1 3.69Å
98R87.9Confident89.1Confident79 Ų7941.2 Ų41.230%0.29820%0.2SC..Hα-helixtrans-92.4-28.1175.6-78.7177.3167.6159.71.3114.2L94 I95 Q134 L135 S138 Y178L94-R98 VanDerWaalsContact O-CB 3.24Å; L94-R98 WeakPolarHBondContact O-CB 3.24Å; L94-R98 VanDerWaalsContact O-CG 3.28Å; L94-R98 WeakPolarHBondContact O-CG 3.33Å; L94-R98 PolarHBondContact O-N 3.31Å; I95-R98 PolarHBondContact O-N 3.29Å; R98-Q134 PolarHBondContact NH2-O 3.38Å; R98-L135 HydrophobicContact CG-CD2 4Å; R98-S138 PolarHBondContact NE-OG 3.42Å; R98-Y178 WeakPolarHBondContact CA-OH 3.45Å; R98-Y178 PolarHBondContact O-OH 2.97Å; R98-Y178 VanDerWaalsContact O-OH 3.1Å
99N81.8Confident88.9Confident121 Ų12138.9 Ų38.965%0.64719%0.191SC*.Hα-helixtrans-118.1-3.6-162.4-61.5-2000115.4I95I95-N99 VanDerWaalsContact O-CB 3.31Å; I95-N99 WeakPolarHBondContact O-CB 3.38Å; I95-N99 PolarHBondContact O-N 2.8Å
100N78.1Confident88.9Confident49 Ų4938.9 Ų38.926%0.26219%0.191SC..SBendtrans-113.8160.4179.1-61.3-81.4000111.6T96 L102 I105T96-N100 WeakPolarHBondContact CA-ND2 3.18Å; T96-N100 PolarHBondContact O-ND2 3.38Å; N100-L102 PolarHBondContact O-N 2.92Å; N100-I105 HydrophobicContact CB-CD1 4.44Å; N100-I105 HydrophobicContact CB-CG1 4.45Å
101D82.2Confident88.8Confident69 Ų6939 Ų3937%0.36919%0.191SC..  trans-59.1123.5159.8-171.4-20.1000108.8D103 H104 Q181D101-D103 PolarHBondContact O-N 3.28Å; D101-D103 PolarHBondContact OD1-N 2.95Å; D101-H104 WeakPolarHBondContact O-CB 3.38Å; D101-H104 PolarHBondContact O-N 3.19Å; D101-Q181 PolarHBondContact OD1-NE2 3.46Å
102L86.8Confident88.8Confident1 Ų133.2 Ų33.21%0.00516%0.164CC..G310 helixtrans-72.7-16.2-175.5-60.3-179.3000112.2I55 L97 N100 H104 I105 W107 Y178 Q181 L182I55-L102 HydrophobicContact CD1-CB 4.35Å; L97-L102 HydrophobicContact CD2-CD2 4.33Å; N100-L102 PolarHBondContact O-N 2.92Å; L102-H104 VanDerWaalsContact C-N 3.28Å; L102-I105 HydrophobicContact CD2-CD1 3.5Å; L102-W107 HydrophobicContact CB-CZ2 4.38Å; L102-W107 HydrophobicContact CD2-CZ2 4.35Å; L102-W107 PolarHBondContact O-NE1 2.79Å; L102-Y178 HydrophobicContact CD1-CD2 4.2Å; L102-Y178 HydrophobicContact CD1-CE2 3.86Å; L102-Y178 HydrophobicContact CD2-CE2 4.29Å; L102-Y178 HydrophobicContact CG-CD2 4.21Å; L102-Y178 HydrophobicContact CG-CE2 3.87Å; L102-Q181 HydrophobicContact CB-CB 3.89Å; L102-Q181 HydrophobicContact CB-CG 4.47Å; L102-Q181 VanDerWaalsContact CD1-C 3.47Å; L102-Q181 HydrophobicContact CD1-CB 3.63Å; L102-Q181 HydrophobicContact CG-CB 4.26Å; L102-L182 VanDerWaalsContact CD1-CA 3.49Å; L102-L182 HydrophobicContact CD1-CB 3.92Å; L102-L182 HydrophobicContact CD1-CD1 4.44Å; L102-L182 VanDerWaalsContact CD1-N 3.34Å
103D83Confident88.8Confident39 Ų3930.3 Ų30.321%0.20915%0.153CC..G310 helixtrans-80.6-4.4169.2-76.4-45.4000113.2S54 I55 D101 Q181S54-D103 WeakPolarHBondContact CA-OD1 3.07Å; S54-D103 WeakPolarHBondContact CB-OD1 3.26Å; I55-D103 WeakPolarHBondContact CG2-OD1 3.33Å; I55-D103 PolarHBondContact N-OD1 3.19Å; D101-D103 PolarHBondContact O-N 3.28Å; D101-D103 PolarHBondContact OD1-N 2.95Å; D103-Q181 PolarHBondContact OD2-NE2 2.98Å
104H83.6Confident88.8Confident129 Ų12930.3 Ų30.360%0.59715%0.153SC*.G310 helixtrans-98-7.8170.6-68.9-2.3000113.8D101 L102D101-H104 WeakPolarHBondContact O-CB 3.38Å; D101-H104 PolarHBondContact O-N 3.19Å; L102-H104 VanDerWaalsContact C-N 3.28Å
105I87.6Confident88.8Confident0 Ų029.6 Ų29.60%015%0.149CC..SBendtrans-83.8138.4179.7-63.4178.7000110.4L48 T96 L97 N100 L102 W107 I110L48-I105 HydrophobicContact CD2-CG1 4.28Å; T96-I105 HydrophobicContact CG2-CD1 4.03Å; T96-I105 HydrophobicContact CG2-CG1 4.3Å; T96-I105 WeakPolarHBondContact O-CD1 3.45Å; L97-I105 HydrophobicContact CD2-CD1 3.85Å; N100-I105 HydrophobicContact CB-CD1 4.44Å; N100-I105 HydrophobicContact CB-CG1 4.45Å; L102-I105 HydrophobicContact CD2-CD1 3.5Å; I105-W107 VanDerWaalsContact C-N 3.33Å; I105-W107 VanDerWaalsContact O-CD1 3.27Å; I105-W107 PolarHBondContact O-N 3.44Å; I105-I110 HydrophobicContact CG2-CD1 3.83Å; I105-I110 HydrophobicContact CG2-CG1 3.49Å; I105-I110 VanDerWaalsContact CG2-CG1 3.49Å
106N88.2Confident88.9Confident7 Ų726.6 Ų26.64%0.03713%0.134CC..  trans-77.582.3174.7-159.2-59.2000111.4L47 W49 S108 H109 I110L47-N106 PolarHBondContact O-N 3.21Å; W49-N106 VanDerWaalsContact O-CB 3.31Å; W49-N106 WeakPolarHBondContact O-CB 3.44Å; W49-N106 PolarHBondContact O-ND2 2.81Å; N106-S108 PolarHBondContact O-N 3.14Å; N106-S108 VanDerWaalsContact O-N 3.09Å; N106-S108 WeakPolarHBondContact OD1-CB 3.45Å; N106-S108 PolarHBondContact OD1-N 3.2Å; N106-H109 HydrophobicContact CB-CB 3.94Å; N106-H109 VanDerWaalsContact CG-CD2 3.48Å; N106-H109 VanDerWaalsContact CG-CG 3.41Å; N106-H109 WeakPolarHBondContact O-CA 3.44Å; N106-H109 WeakPolarHBondContact O-CB 3.49Å; N106-H109 PolarHBondContact O-N 3.13Å; N106-H109 PolarHBondContact OD1-CD2 3.13Å; N106-H109 VanDerWaalsContact OD1-CG 3.28Å; N106-H109 PolarHBondContact OD1-N 3.17Å; N106-I110 WeakPolarHBondContact O-CG1 3.46Å; N106-I110 PolarHBondContact O-N 2.37Å
107W91Very high89.1Confident2 Ų226.7 Ų26.71%0.00813%0.134CC..Hα-helixtrans-56.2-28.2179.9-74.495.8000113.9I55 Y58 L97 L102 I105 I110 L111 L188 I189I55-W107 HydrophobicContact CD1-CD2 4.19Å; I55-W107 VanDerWaalsContact CD1-CE2 3.41Å; I55-W107 HydrophobicContact CD1-CH2 4.05Å; I55-W107 HydrophobicContact CD1-CZ2 3.34Å; I55-W107 HydrophobicContact CG1-CD2 3.99Å; I55-W107 HydrophobicContact CG1-CG 4.18Å; I55-W107 HydrophobicContact CG1-CZ2 4.05Å; Y58-W107 HydrophobicContact CD1-CB 4.15Å; Y58-W107 HydrophobicContact CD2-CB 3.6Å; Y58-W107 HydrophobicContact CD2-CG 4.3Å; Y58-W107 HydrophobicContact CE2-CB 3.96Å; Y58-W107 HydrophobicContact CG-CB 3.69Å; L97-W107 HydrophobicContact CD2-CH2 3.38Å; L97-W107 HydrophobicContact CD2-CZ2 3.76Å; L97-W107 HydrophobicContact CD2-CZ3 4.17Å; L102-W107 HydrophobicContact CB-CZ2 4.38Å; L102-W107 HydrophobicContact CD2-CZ2 4.35Å; L102-W107 PolarHBondContact O-NE1 2.79Å; I105-W107 VanDerWaalsContact C-N 3.33Å; I105-W107 VanDerWaalsContact O-CD1 3.27Å; I105-W107 PolarHBondContact O-N 3.44Å; W107-I110 HydrophobicContact CE3-CB 4.35Å; W107-I110 HydrophobicContact CE3-CG2 4.32Å; W107-I110 HydrophobicContact CZ3-CG2 4.26Å; W107-I110 PolarHBondContact O-N 2.76Å; W107-L111 WeakPolarHBondContact O-CB 3.34Å; W107-L111 WeakPolarHBondContact O-CG 3.37Å; W107-L111 PolarHBondContact O-N 3.29Å; W107-L188 HydrophobicContact CD2-CD1 4.1Å; W107-L188 HydrophobicContact CE3-CB 4.45Å; W107-L188 HydrophobicContact CE3-CD1 3.83Å; W107-L188 HydrophobicContact CZ3-CB 4.45Å; W107-L188 HydrophobicContact CZ3-CD1 4.35Å; W107-I189 HydrophobicContact CZ3-CD1 4.17Å; W107-I189 HydrophobicContact CZ3-CG1 4.18Å
108S89.7Confident89.2Confident31 Ų3126.9 Ų26.922%0.21714%0.135CC..Hα-helixtrans-64.5-42.5171.6-158.90000111.7N106 Q112N106-S108 PolarHBondContact O-N 3.14Å; N106-S108 VanDerWaalsContact O-N 3.09Å; N106-S108 WeakPolarHBondContact OD1-CB 3.45Å; N106-S108 PolarHBondContact OD1-N 3.2Å; S108-Q112 WeakPolarHBondContact O-CB 3.17Å; S108-Q112 WeakPolarHBondContact O-CG 3.34Å; S108-Q112 PolarHBondContact O-N 3.44Å; S108-Q112 VanDerWaalsContact O-N 3.1Å; S108-Q112 PolarHBondContact O-NE2 3.45Å; S108-Q112 PolarHBondContact OG-NE2 2.88Å
109H90.4Very high89.4Confident9 Ų924.9 Ų24.94%0.04213%0.132CC..Hα-helixtrans-69.5-41.4176.5-63-177.3000111.6W15 F46 W49 N106 L111 Q112 L113W15-H109 AromaticContact CH2-CD2 3.8Å; W15-H109 AromaticContact CH2-CE1 3.8Å; W15-H109 AromaticContact CH2-NE2 3.56Å; W15-H109 AromaticContact CZ2-CD2 3.87Å; W15-H109 AromaticContact CZ2-CE1 3.85Å; W15-H109 AromaticContact CZ2-NE2 3.31Å; W15-H109 VanDerWaalsContact CZ2-NE2 3.31Å; W15-H109 WeakPolarHBondContact CZ2-NE2 3.41Å; F46-H109 HydrophobicContact CD1-CB 4.47Å; F46-H109 HydrophobicContact CD2-CB 4.37Å; F46-H109 AromaticContact CD2-ND1 3.76Å; F46-H109 HydrophobicContact CE1-CB 3.97Å; F46-H109 HydrophobicContact CE2-CB 3.88Å; F46-H109 AromaticContact CE2-CG 3.93Å; F46-H109 AromaticContact CE2-ND1 3.98Å; F46-H109 HydrophobicContact CZ-CB 3.66Å; F46-H109 PolarHBondContact O-ND1 3.33Å; W49-H109 AromaticContact CD1-CE1 3.73Å; W49-H109 AromaticContact CG-CE1 3.87Å; N106-H109 HydrophobicContact CB-CB 3.94Å; N106-H109 VanDerWaalsContact CG-CD2 3.48Å; N106-H109 VanDerWaalsContact CG-CG 3.41Å; N106-H109 WeakPolarHBondContact O-CA 3.44Å; N106-H109 WeakPolarHBondContact O-CB 3.49Å; N106-H109 PolarHBondContact O-N 3.13Å; N106-H109 PolarHBondContact OD1-CD2 3.13Å; N106-H109 VanDerWaalsContact OD1-CG 3.28Å; N106-H109 PolarHBondContact OD1-N 3.17Å; H109-L111 PolarHBondContact O-N 2.84Å; H109-Q112 PolarHBondContact O-N 3.03Å; H109-L113 VanDerWaalsContact O-CB 3.22Å; H109-L113 WeakPolarHBondContact O-CB 3.41Å; H109-L113 PolarHBondContact O-N 3.34Å
110I92.9Very high89.9Confident0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-56.5-52.4174.7-57.8-61.2000110.6L47 L93 I105 N106 W107 L113 I114 I189L47-I110 HydrophobicContact CD2-CD1 3.58Å; L93-I110 HydrophobicContact CD2-CD1 3.66Å; I105-I110 HydrophobicContact CG2-CD1 3.83Å; I105-I110 HydrophobicContact CG2-CG1 3.49Å; I105-I110 VanDerWaalsContact CG2-CG1 3.49Å; N106-I110 WeakPolarHBondContact O-CG1 3.46Å; N106-I110 PolarHBondContact O-N 2.37Å; W107-I110 HydrophobicContact CE3-CB 4.35Å; W107-I110 HydrophobicContact CE3-CG2 4.32Å; W107-I110 HydrophobicContact CZ3-CG2 4.26Å; W107-I110 PolarHBondContact O-N 2.76Å; I110-L113 PolarHBondContact O-N 3.34Å; I110-I114 HydrophobicContact CG2-CG1 4.32Å; I110-I114 WeakPolarHBondContact O-CB 3.25Å; I110-I114 VanDerWaalsContact O-CG1 3.24Å; I110-I114 WeakPolarHBondContact O-CG1 3.48Å; I110-I114 PolarHBondContact O-N 2.8Å; I110-I189 HydrophobicContact CG2-CD1 4.42Å; I110-I189 HydrophobicContact CG2-CG1 4.33Å
111L93.6Very high90.5Very high15 Ų1521.6 Ų21.68%0.07912%0.118CC..Hα-helixtrans-69.3-37-175.1-65.7177.2000112.6W107 H109 I114 S115 L188 I189 Q192W107-L111 WeakPolarHBondContact O-CB 3.34Å; W107-L111 WeakPolarHBondContact O-CG 3.37Å; W107-L111 PolarHBondContact O-N 3.29Å; H109-L111 PolarHBondContact O-N 2.84Å; L111-I114 PolarHBondContact O-N 2.81Å; L111-S115 WeakPolarHBondContact O-CB 3.37Å; L111-S115 PolarHBondContact O-N 3.38Å; L111-L188 HydrophobicContact CD1-CB 4.45Å; L111-L188 HydrophobicContact CD1-CD2 4.22Å; L111-L188 HydrophobicContact CD2-CB 4.19Å; L111-I189 HydrophobicContact CD2-CG1 4.38Å; L111-Q192 HydrophobicContact CB-CG 4.34Å; L111-Q192 HydrophobicContact CD2-CB 3.83Å; L111-Q192 HydrophobicContact CD2-CG 4.3Å; L111-Q192 WeakPolarHBondContact O-CG 3.32Å
112Q92.2Very high90.9Very high4 Ų428.4 Ų28.42%0.01914%0.144CC..Hα-helixtrans-66.7-38.3172.7-71172.389.400112.1L69 M77 S108 H109 S115 I116L69-Q112 HydrophobicContact CD1-CB 4.12Å; L69-Q112 HydrophobicContact CD1-CG 4.17Å; L69-Q112 HydrophobicContact CD2-CG 3.7Å; M77-Q112 HydrophobicContact CE-CB 3.58Å; M77-Q112 HydrophobicContact CE-CG 4.35Å; M77-Q112 HydrophobicContact SD-CB 3.53Å; M77-Q112 VanDerWaalsContact SD-CB 3.53Å; S108-Q112 WeakPolarHBondContact O-CB 3.17Å; S108-Q112 WeakPolarHBondContact O-CG 3.34Å; S108-Q112 PolarHBondContact O-N 3.44Å; S108-Q112 VanDerWaalsContact O-N 3.1Å; S108-Q112 PolarHBondContact O-NE2 3.45Å; S108-Q112 PolarHBondContact OG-NE2 2.88Å; H109-Q112 PolarHBondContact O-N 3.03Å; Q112-S115 WeakPolarHBondContact O-CB 3.43Å; Q112-S115 PolarHBondContact O-N 2.88Å; Q112-I116 WeakPolarHBondContact O-CG1 3.29Å; Q112-I116 PolarHBondContact O-N 3.42Å; Q112-I116 VanDerWaalsContact O-N 3.1Å
113L94.2Very high91Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-66-43.7173.8179.969000111.3F43 F46 L47 V81 I89 L93 H109 I110 S115 I116 I117F43-L113 HydrophobicContact CE2-CD1 4.4Å; F43-L113 HydrophobicContact CE2-CD2 3.74Å; F43-L113 HydrophobicContact CZ-CD2 3.68Å; F46-L113 HydrophobicContact CE1-CB 4.34Å; F46-L113 HydrophobicContact CE1-CD2 4.23Å; F46-L113 HydrophobicContact CZ-CB 4.35Å; L47-L113 HydrophobicContact CD2-CD2 4.3Å; V81-L113 HydrophobicContact CG2-CD1 3.89Å; I89-L113 HydrophobicContact CG2-CD2 4.15Å; L93-L113 HydrophobicContact CD1-CD2 4.1Å; L93-L113 HydrophobicContact CD2-CD2 4.2Å; L93-L113 HydrophobicContact CG-CD2 4.44Å; H109-L113 VanDerWaalsContact O-CB 3.22Å; H109-L113 WeakPolarHBondContact O-CB 3.41Å; H109-L113 PolarHBondContact O-N 3.34Å; I110-L113 PolarHBondContact O-N 3.34Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 2.81Å; L113-I116 PolarHBondContact O-N 3.31Å; L113-I117 HydrophobicContact CD1-CD1 4.36Å; L113-I117 HydrophobicContact CD1-CG1 4.48Å; L113-I117 HydrophobicContact CD2-CD1 4.34Å; L113-I117 HydrophobicContact CG-CD1 3.85Å; L113-I117 HydrophobicContact CG-CG1 4.39Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.25Å; L113-I117 PolarHBondContact O-N 3.31Å
114I94.9Very high91.5Very high1 Ų128.2 Ų28.21%0.00515%0.152CC..Hα-helixtrans-58.4-46.1174.6-70.3-70.3000110.6L93 I110 L111 I116 I117 I118 V128 I189 Q192L93-I114 HydrophobicContact CD1-CD1 4.4Å; I110-I114 HydrophobicContact CG2-CG1 4.32Å; I110-I114 WeakPolarHBondContact O-CB 3.25Å; I110-I114 VanDerWaalsContact O-CG1 3.24Å; I110-I114 WeakPolarHBondContact O-CG1 3.48Å; I110-I114 PolarHBondContact O-N 2.8Å; L111-I114 PolarHBondContact O-N 2.81Å; I114-I116 VanDerWaalsContact C-N 3.29Å; I114-I116 PolarHBondContact O-N 2.96Å; I114-I117 PolarHBondContact O-N 2.94Å; I114-I118 HydrophobicContact CG2-CD1 4.42Å; I114-I118 VanDerWaalsContact O-CG1 3.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.33Å; I114-I118 WeakPolarHBondContact O-CG2 3.36Å; I114-I118 PolarHBondContact O-N 3.37Å; I114-V128 HydrophobicContact CD1-CG1 4.11Å; I114-V128 HydrophobicContact CD1-CG2 3.62Å; I114-V128 HydrophobicContact CG2-CG1 4.13Å; I114-V128 HydrophobicContact CG2-CG2 4.33Å; I114-I189 HydrophobicContact CD1-CG2 3.94Å; I114-I189 HydrophobicContact CG1-CG2 4.17Å; I114-I189 HydrophobicContact CG2-CG2 4.34Å; I114-Q192 HydrophobicContact CB-CG 4.44Å; I114-Q192 HydrophobicContact CG2-CB 4.33Å; I114-Q192 HydrophobicContact CG2-CG 4.01Å
115S93.7Very high92Very high0 Ų023.3 Ų23.30%013%0.131CC..Hα-helixtrans-53.9-43.2174.2177.50000112.6F66 L111 Q112 L113 I118 T119 E196F66-S115 VanDerWaalsContact CA-OG 3.31Å; F66-S115 WeakPolarHBondContact CA-OG 3.49Å; F66-S115 PolarHBondContact N-OG 2.98Å; F66-S115 VanDerWaalsContact N-OG 3.09Å; L111-S115 WeakPolarHBondContact O-CB 3.37Å; L111-S115 PolarHBondContact O-N 3.38Å; Q112-S115 WeakPolarHBondContact O-CB 3.43Å; Q112-S115 PolarHBondContact O-N 2.88Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 2.81Å; S115-I118 WeakPolarHBondContact O-CG1 3.19Å; S115-T119 WeakPolarHBondContact O-CB 3.26Å; S115-T119 WeakPolarHBondContact O-CG2 3.41Å; S115-T119 PolarHBondContact O-N 2.75Å; S115-T119 PolarHBondContact O-OG1 3.13Å; S115-E196 VanDerWaalsContact CB-OE1 3.27Å; S115-E196 WeakPolarHBondContact CB-OE1 3.37Å; S115-E196 PolarHBondContact OG-OE1 3.24Å
116I93.9Very high92.2Very high0 Ų027.2 Ų27.20%016%0.158CC..Hα-helixtrans-75.6-37.6179.3-71.3166.6000111.8F66 L69 R74 M77 I78 V81 Q112 L113 I114 I118 T119 C120F66-I116 HydrophobicContact CD2-CG1 3.72Å; F66-I116 HydrophobicContact CE2-CG1 3.94Å; L69-I116 HydrophobicContact CD1-CD1 4.01Å; L69-I116 HydrophobicContact CD1-CG1 4.23Å; R74-I116 HydrophobicContact CG-CD1 4.26Å; M77-I116 HydrophobicContact CB-CD1 3.39Å; M77-I116 HydrophobicContact CG-CD1 4.21Å; M77-I116 HydrophobicContact SD-CD1 3.83Å; I78-I116 HydrophobicContact CG1-CG2 3.79Å; V81-I116 HydrophobicContact CG2-CG2 4.19Å; Q112-I116 WeakPolarHBondContact O-CG1 3.29Å; Q112-I116 PolarHBondContact O-N 3.42Å; Q112-I116 VanDerWaalsContact O-N 3.1Å; L113-I116 PolarHBondContact O-N 3.31Å; I114-I116 VanDerWaalsContact C-N 3.29Å; I114-I116 PolarHBondContact O-N 2.96Å; I116-I118 PolarHBondContact O-N 3.33Å; I116-T119 PolarHBondContact O-N 3.03Å; I116-C120 HydrophobicContact CG2-CB 4.38Å; I116-C120 VanDerWaalsContact O-CB 3.28Å; I116-C120 WeakPolarHBondContact O-CB 3.07Å; I116-C120 PolarHBondContact O-N 2.93Å
117I94.7Very high92.5Very high1 Ų128.2 Ų28.21%0.00516%0.164CC..Hα-helixtrans-57.5-49.3173.9-73.8165.7000110.8V81 L86 I89 L93 L113 I114 I121 V128V81-I117 HydrophobicContact CG2-CG1 4.12Å; L86-I117 HydrophobicContact CD1-CG1 4.48Å; L86-I117 HydrophobicContact CD1-CG2 4.01Å; I89-I117 HydrophobicContact CG2-CD1 3.82Å; L93-I117 HydrophobicContact CD1-CD1 4.14Å; L113-I117 HydrophobicContact CD1-CD1 4.36Å; L113-I117 HydrophobicContact CD1-CG1 4.48Å; L113-I117 HydrophobicContact CD2-CD1 4.34Å; L113-I117 HydrophobicContact CG-CD1 3.85Å; L113-I117 HydrophobicContact CG-CG1 4.39Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.25Å; L113-I117 PolarHBondContact O-N 3.31Å; I114-I117 PolarHBondContact O-N 2.94Å; I117-I121 HydrophobicContact CB-CD1 4.09Å; I117-I121 HydrophobicContact CG1-CD1 3.86Å; I117-I121 HydrophobicContact CG2-CD1 4.17Å; I117-I121 WeakPolarHBondContact O-CB 3.43Å; I117-I121 PolarHBondContact O-N 3.04Å; I117-V128 HydrophobicContact CG2-CG2 3.77Å
118I93.5Very high92.6Very high8 Ų828.1 Ų28.14%0.04116%0.164CC..Hα-helixtrans-78.2-19.6-174.767.9-168.4000114.1I114 S115 I116 V125 V128 L193 E196 T201I114-I118 HydrophobicContact CG2-CD1 4.42Å; I114-I118 VanDerWaalsContact O-CG1 3.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.33Å; I114-I118 WeakPolarHBondContact O-CG2 3.36Å; I114-I118 PolarHBondContact O-N 3.37Å; S115-I118 WeakPolarHBondContact O-CG1 3.19Å; I116-I118 PolarHBondContact O-N 3.33Å; I118-V125 HydrophobicContact CB-CG2 4Å; I118-V125 HydrophobicContact CG2-CG2 4.3Å; I118-V128 HydrophobicContact CG2-CB 4.02Å; I118-V128 HydrophobicContact CG2-CG1 4.48Å; I118-V128 HydrophobicContact CG2-CG2 3.65Å; I118-L193 HydrophobicContact CB-CD1 4.49Å; I118-L193 HydrophobicContact CD1-CD1 4.21Å; I118-L193 HydrophobicContact CG2-CD1 3.89Å; I118-E196 HydrophobicContact CD1-CB 4.48Å; I118-E196 HydrophobicContact CD1-CG 3.56Å; I118-E196 HydrophobicContact CG1-CG 4.03Å; I118-T201 HydrophobicContact CD1-CG2 4.44Å
119T92Very high92.8Very high37 Ų3729.8 Ų29.823%0.22717%0.167CC..Hα-helixtrans-101-33.9179.155.80000114F66 S115 I116 E196 L200F66-T119 HydrophobicContact CB-CG2 3.88Å; F66-T119 WeakPolarHBondContact CD2-OG1 3.39Å; F66-T119 HydrophobicContact CG-CG2 4.39Å; S115-T119 WeakPolarHBondContact O-CB 3.26Å; S115-T119 WeakPolarHBondContact O-CG2 3.41Å; S115-T119 PolarHBondContact O-N 2.75Å; S115-T119 PolarHBondContact O-OG1 3.13Å; I116-T119 PolarHBondContact O-N 3.03Å; T119-E196 HydrophobicContact CG2-CB 4.5Å; T119-E196 HydrophobicContact CG2-CG 4.07Å; T119-L200 HydrophobicContact CG2-CD1 4.42Å
120C91Very high92.9Very high60 Ų6034.2 Ų34.241%0.40519%0.187SC..Hα-helixtrans-98.6-23.5-176-60.50000114.2F66 I116F66-C120 VanDerWaalsContact CE2-SG 3.54Å; I116-C120 HydrophobicContact CG2-CB 4.38Å; I116-C120 VanDerWaalsContact O-CB 3.28Å; I116-C120 WeakPolarHBondContact O-CB 3.07Å; I116-C120 PolarHBondContact O-N 2.93Å
121I91Very high92.9Very high40 Ų4034.3 Ų34.321%0.20519%0.187CC..SBendtrans-108.8127.2-171.6-37.2172000112.2V81 L86 I117 G123 G124V81-I121 HydrophobicContact CB-CD1 4.22Å; V81-I121 HydrophobicContact CG1-CD1 3.38Å; V81-I121 HydrophobicContact CG1-CG1 3.47Å; V81-I121 VanDerWaalsContact CG1-CG1 3.47Å; V81-I121 HydrophobicContact CG2-CD1 3.9Å; L86-I121 HydrophobicContact CD1-CD1 3.86Å; L86-I121 HydrophobicContact CD2-CG2 3.96Å; I117-I121 HydrophobicContact CB-CD1 4.09Å; I117-I121 HydrophobicContact CG1-CD1 3.86Å; I117-I121 HydrophobicContact CG2-CD1 4.17Å; I117-I121 WeakPolarHBondContact O-CB 3.43Å; I117-I121 PolarHBondContact O-N 3.04Å; I121-G123 PolarHBondContact O-N 3.02Å; I121-G123 VanDerWaalsContact O-N 3.12Å; I121-G124 PolarHBondContact O-N 3.24Å
122K90.2Very high92.9Very high212 Ų21233.7 Ų33.792%0.92218%0.184SC*.THydrogen-bonded Turntrans-60.8116.1169.4-176.3-176.4177.9-174.40109.8
123G90.7Very high92.9Very high36 Ų3634.9 Ų34.937%0.37119%0.19SC..THydrogen-bonded Turntrans95.2-7-177.700000114.8I121 V125 S126 T127I121-G123 PolarHBondContact O-N 3.02Å; I121-G123 VanDerWaalsContact O-N 3.12Å; G123-V125 VanDerWaalsContact C-N 3.28Å; G123-V125 PolarHBondContact O-N 2.97Å; G123-S126 WeakPolarHBondContact O-CA 3.3Å; G123-S126 WeakPolarHBondContact O-CB 3.29Å; G123-S126 PolarHBondContact O-N 3.45Å; G123-T127 PolarHBondContact O-N 2.96Å; G123-T127 PolarHBondContact O-OG1 3.48Å
124G92.7Very high92.7Very high1 Ų137.3 Ų37.31%0.0120%0.201CC..Hα-helixtrans-56.1-37.9-178.400000114.1I121 S126 T127 V128I121-G124 PolarHBondContact O-N 3.24Å; G124-S126 VanDerWaalsContact C-N 3.34Å; G124-S126 PolarHBondContact O-N 3.32Å; G124-T127 PolarHBondContact O-N 3.03Å; G124-V128 WeakPolarHBondContact O-CG2 3.46Å; G124-V128 PolarHBondContact O-N 2.91Å
125V93.1Very high92.6Very high26 Ų2637.3 Ų37.316%0.15820%0.201CC..Hα-helixtrans-56.8-44.9172.3170.70000112.1I118 G123 V128 K129 L193I118-V125 HydrophobicContact CB-CG2 4Å; I118-V125 HydrophobicContact CG2-CG2 4.3Å; G123-V125 VanDerWaalsContact C-N 3.28Å; G123-V125 PolarHBondContact O-N 2.97Å; V125-V128 PolarHBondContact O-N 3.18Å; V125-K129 WeakPolarHBondContact O-CB 3.49Å; V125-K129 WeakPolarHBondContact O-CG 3.43Å; V125-K129 PolarHBondContact O-N 3.3Å; V125-L193 HydrophobicContact CG1-CD1 4.27Å; V125-L193 HydrophobicContact CG2-CD1 4.44Å
126S92.4Very high92.5Very high82 Ų8237.3 Ų37.357%0.57320%0.201SC*.Hα-helixtrans-67.4-40.7178.6-55.70000111.4G123 G124 K129 F130G123-S126 WeakPolarHBondContact O-CA 3.3Å; G123-S126 WeakPolarHBondContact O-CB 3.29Å; G123-S126 PolarHBondContact O-N 3.45Å; G124-S126 VanDerWaalsContact C-N 3.34Å; G124-S126 PolarHBondContact O-N 3.32Å; S126-K129 PolarHBondContact O-N 3.38Å; S126-F130 WeakPolarHBondContact O-CB 3.42Å; S126-F130 PolarHBondContact O-N 2.91Å
127T93.8Very high92.1Very high27 Ų2738.8 Ų38.817%0.16621%0.209CC..Hα-helixtrans-64.1-42.8175.6-55.40000111.6L86 S90 G123 G124 F130 I131L86-T127 HydrophobicContact CD1-CG2 3.95Å; L86-T127 HydrophobicContact CD2-CG2 4.49Å; L86-T127 WeakPolarHBondContact CD2-OG1 3.42Å; L86-T127 HydrophobicContact CG-CG2 4.08Å; S90-T127 VanDerWaalsContact CB-CG2 3.41Å; G123-T127 PolarHBondContact O-N 2.96Å; G123-T127 PolarHBondContact O-OG1 3.48Å; G124-T127 PolarHBondContact O-N 3.03Å; T127-F130 WeakPolarHBondContact O-CB 3.24Å; T127-F130 PolarHBondContact O-N 2.85Å; T127-I131 HydrophobicContact CG2-CD1 4.25Å; T127-I131 WeakPolarHBondContact O-CG1 3.41Å; T127-I131 PolarHBondContact O-N 3.38Å
128V94.9Very high91.7Very high0 Ų040.1 Ų40.10%022%0.218CC..Hα-helixtrans-67.6-39.5176.6173.40000111.6I114 I117 I118 G124 V125 F130 I131 I132 I189 L193I114-V128 HydrophobicContact CD1-CG1 4.11Å; I114-V128 HydrophobicContact CD1-CG2 3.62Å; I114-V128 HydrophobicContact CG2-CG1 4.13Å; I114-V128 HydrophobicContact CG2-CG2 4.33Å; I117-V128 HydrophobicContact CG2-CG2 3.77Å; I118-V128 HydrophobicContact CG2-CB 4.02Å; I118-V128 HydrophobicContact CG2-CG1 4.48Å; I118-V128 HydrophobicContact CG2-CG2 3.65Å; G124-V128 WeakPolarHBondContact O-CG2 3.46Å; G124-V128 PolarHBondContact O-N 2.91Å; V125-V128 PolarHBondContact O-N 3.18Å; V128-F130 VanDerWaalsContact C-N 3.31Å; V128-F130 PolarHBondContact O-N 3.45Å; V128-I131 PolarHBondContact O-N 2.94Å; V128-I132 HydrophobicContact CG1-CD1 3.89Å; V128-I132 HydrophobicContact CG1-CG1 4.5Å; V128-I132 WeakPolarHBondContact O-CB 3.16Å; V128-I132 WeakPolarHBondContact O-CD1 3.35Å; V128-I132 VanDerWaalsContact O-CG1 3.27Å; V128-I132 WeakPolarHBondContact O-CG1 3.31Å; V128-I132 PolarHBondContact O-N 2.82Å; V128-I189 HydrophobicContact CG1-CG2 3.79Å; V128-L193 HydrophobicContact CG1-CB 4.34Å; V128-L193 HydrophobicContact CG1-CD1 4.39Å; V128-L193 HydrophobicContact CG1-CD2 4.29Å
129K92.9Very high91.4Very high66 Ų6639.8 Ų39.829%0.28722%0.216SC..Hα-helixtrans-57-43.4168.7-80.8-174168.3-164.90112.1V125 S126 I132 H133 L193 E211V125-K129 WeakPolarHBondContact O-CB 3.49Å; V125-K129 WeakPolarHBondContact O-CG 3.43Å; V125-K129 PolarHBondContact O-N 3.3Å; S126-K129 PolarHBondContact O-N 3.38Å; K129-I132 PolarHBondContact O-N 3.34Å; K129-H133 WeakPolarHBondContact O-CB 3.48Å; K129-H133 PolarHBondContact O-N 3.45Å; K129-L193 HydrophobicContact CG-CD2 4.23Å; K129-E211 IonicContact NZ-OE1 3.9Å; K129-E211 IonicContact NZ-OE2 3.84Å; K129-E211 PolarHBondContact NZ-OE2 3.49Å
130F92.1Very high91Very high103 Ų10338.1 Ų38.145%0.45221%0.206SC..Hα-helixtrans-65-43177.5177.5-98.3000112.2L94 S126 T127 V128 H133 Q134L94-F130 HydrophobicContact CD1-CE1 4.26Å; S126-F130 WeakPolarHBondContact O-CB 3.42Å; S126-F130 PolarHBondContact O-N 2.91Å; T127-F130 WeakPolarHBondContact O-CB 3.24Å; T127-F130 PolarHBondContact O-N 2.85Å; V128-F130 VanDerWaalsContact C-N 3.31Å; V128-F130 PolarHBondContact O-N 3.45Å; F130-H133 PolarHBondContact O-N 3.07Å; F130-Q134 HydrophobicContact CD1-CG 4.13Å; F130-Q134 HydrophobicContact CD2-CG 4.35Å; F130-Q134 HydrophobicContact CE1-CG 3.73Å; F130-Q134 HydrophobicContact CE2-CG 3.96Å; F130-Q134 HydrophobicContact CG-CG 4.44Å; F130-Q134 HydrophobicContact CZ-CG 3.63Å; F130-Q134 WeakPolarHBondContact O-CB 3.45Å; F130-Q134 WeakPolarHBondContact O-CG 3.42Å; F130-Q134 PolarHBondContact O-N 3.34Å
131I93.9Very high90.1Very high1 Ų138.8 Ų38.81%0.00521%0.205CC..Hα-helixtrans-59.1-51.1174.2-66.8165000110.3L93 L94 T127 V128 H133 Q134 L135L93-I131 HydrophobicContact CB-CD1 4.41Å; L93-I131 HydrophobicContact CD1-CD1 4.12Å; L94-I131 HydrophobicContact CD1-CG1 4.42Å; L94-I131 HydrophobicContact CD2-CB 4.46Å; L94-I131 HydrophobicContact CD2-CG2 4Å; L94-I131 HydrophobicContact CG-CG1 4.24Å; L94-I131 HydrophobicContact CG-CG2 4.27Å; T127-I131 HydrophobicContact CG2-CD1 4.25Å; T127-I131 WeakPolarHBondContact O-CG1 3.41Å; T127-I131 PolarHBondContact O-N 3.38Å; V128-I131 PolarHBondContact O-N 2.94Å; I131-H133 VanDerWaalsContact C-N 3.3Å; I131-H133 PolarHBondContact O-N 3Å; I131-Q134 PolarHBondContact O-N 3.18Å; I131-L135 HydrophobicContact CG2-CD1 3.88Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 VanDerWaalsContact O-CG 3.32Å; I131-L135 WeakPolarHBondContact O-CG 3.37Å; I131-L135 PolarHBondContact O-N 3.34Å
132I94Very high88.6Confident2 Ų240.1 Ų40.11%0.0122%0.218CC..Hα-helixtrans-53.5-47.9176.2-71.6160.6000110.8V128 K129 L135 L136 I186 I189 S190 L193 W208V128-I132 HydrophobicContact CG1-CD1 3.89Å; V128-I132 HydrophobicContact CG1-CG1 4.5Å; V128-I132 WeakPolarHBondContact O-CB 3.16Å; V128-I132 WeakPolarHBondContact O-CD1 3.35Å; V128-I132 VanDerWaalsContact O-CG1 3.27Å; V128-I132 WeakPolarHBondContact O-CG1 3.31Å; V128-I132 PolarHBondContact O-N 2.82Å; K129-I132 PolarHBondContact O-N 3.34Å; I132-L135 PolarHBondContact O-N 2.9Å; I132-L136 HydrophobicContact CG2-CD1 3.87Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 WeakPolarHBondContact O-CG 3.49Å; I132-L136 PolarHBondContact O-N 3.32Å; I132-I186 HydrophobicContact CG2-CG2 4.25Å; I132-I189 HydrophobicContact CD1-CG2 4.08Å; I132-I189 HydrophobicContact CG1-CB 4.48Å; I132-I189 HydrophobicContact CG1-CG2 3.85Å; I132-S190 WeakPolarHBondContact CD1-OG 3.45Å; I132-L193 HydrophobicContact CD1-CD2 3.84Å; I132-W208 HydrophobicContact CG2-CZ2 3.87Å
133H91Very high86.7Confident30 Ų3033.8 Ų33.814%0.13920%0.195CC..Hα-helixtrans-65.3-42.2-179.7-177.759.2000112.7K129 F130 I131 L136 L137 Q221K129-H133 WeakPolarHBondContact O-CB 3.48Å; K129-H133 PolarHBondContact O-N 3.45Å; F130-H133 PolarHBondContact O-N 3.07Å; I131-H133 VanDerWaalsContact C-N 3.3Å; I131-H133 PolarHBondContact O-N 3Å; H133-L136 PolarHBondContact O-N 3.1Å; H133-L137 WeakPolarHBondContact NE2-CD1 3.42Å; H133-L137 WeakPolarHBondContact O-CG 3.48Å; H133-L137 PolarHBondContact O-N 3.3Å; H133-Q221 PolarHBondContact CE1-O 3.4Å
134Q90.9Very high84.7Confident50 Ų5034.9 Ų34.923%0.23419%0.191CC..Hα-helixtrans-65.2-37.4176.9-79.7-66.5-27.200113.1L94 R98 F130 I131 S138L94-Q134 HydrophobicContact CD1-CB 4.15Å; L94-Q134 HydrophobicContact CD1-CG 4.32Å; L94-Q134 HydrophobicContact CD2-CB 3.62Å; R98-Q134 PolarHBondContact NH2-O 3.38Å; F130-Q134 HydrophobicContact CD1-CG 4.13Å; F130-Q134 HydrophobicContact CD2-CG 4.35Å; F130-Q134 HydrophobicContact CE1-CG 3.73Å; F130-Q134 HydrophobicContact CE2-CG 3.96Å; F130-Q134 HydrophobicContact CG-CG 4.44Å; F130-Q134 HydrophobicContact CZ-CG 3.63Å; F130-Q134 WeakPolarHBondContact O-CB 3.45Å; F130-Q134 WeakPolarHBondContact O-CG 3.42Å; F130-Q134 PolarHBondContact O-N 3.34Å; I131-Q134 PolarHBondContact O-N 3.18Å; Q134-S138 PolarHBondContact O-N 3.01Å
135L92.5Very high82Confident1 Ų140 Ų401%0.00522%0.219CC..Hα-helixtrans-69.2-40174.2-65.4171.5000111.3L94 L97 R98 I131 I132 S138 L139 L182 I186 I189L94-L135 HydrophobicContact CD2-CD2 3.86Å; L94-L135 HydrophobicContact CD2-CG 3.85Å; L97-L135 HydrophobicContact CB-CD1 4.33Å; L97-L135 HydrophobicContact CB-CD2 3.89Å; L97-L135 HydrophobicContact CD1-CD1 3.78Å; R98-L135 HydrophobicContact CG-CD2 4Å; I131-L135 HydrophobicContact CG2-CD1 3.88Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 VanDerWaalsContact O-CG 3.32Å; I131-L135 WeakPolarHBondContact O-CG 3.37Å; I131-L135 PolarHBondContact O-N 3.34Å; I132-L135 PolarHBondContact O-N 2.9Å; L135-S138 WeakPolarHBondContact O-CA 3.44Å; L135-S138 WeakPolarHBondContact O-CB 3.23Å; L135-S138 PolarHBondContact O-N 3.43Å; L135-S138 VanDerWaalsContact O-N 3.17Å; L135-L139 PolarHBondContact O-N 2.9Å; L135-L182 HydrophobicContact CB-CD1 4.37Å; L135-L182 HydrophobicContact CD2-CD1 4.16Å; L135-I186 HydrophobicContact CB-CD1 3.79Å; L135-I186 HydrophobicContact CB-CG1 3.64Å; L135-I186 HydrophobicContact CD1-CG1 4.26Å; L135-I189 HydrophobicContact CD1-CD1 4.37Å
136L90.8Very high79.3Confident0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-62.1-45.5173.4-78.1167.4000112.5I132 H133 S138 L139 F140 I186 T212 F213 V223I132-L136 HydrophobicContact CG2-CD1 3.87Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 WeakPolarHBondContact O-CG 3.49Å; I132-L136 PolarHBondContact O-N 3.32Å; H133-L136 PolarHBondContact O-N 3.1Å; L136-S138 PolarHBondContact O-N 3.4Å; L136-L139 WeakPolarHBondContact O-CB 3.44Å; L136-L139 PolarHBondContact O-N 2.82Å; L136-F140 HydrophobicContact CD2-CE2 4.04Å; L136-F140 VanDerWaalsContact O-CD2 3.23Å; L136-F140 WeakPolarHBondContact O-CD2 3.48Å; L136-F140 PolarHBondContact O-N 3.36Å; L136-F140 VanDerWaalsContact O-N 3.15Å; L136-I186 HydrophobicContact CD1-CG2 4.27Å; L136-I186 HydrophobicContact CD2-CD1 4.03Å; L136-I186 HydrophobicContact CD2-CG2 3.92Å; L136-I186 HydrophobicContact CG-CD1 4.1Å; L136-I186 HydrophobicContact CG-CG2 3.87Å; L136-T212 HydrophobicContact CD1-CG2 3.41Å; L136-T212 VanDerWaalsContact CD1-CG2 3.41Å; L136-F213 HydrophobicContact CD1-CE1 4.42Å; L136-F213 HydrophobicContact CD1-CZ 4.21Å; L136-F213 HydrophobicContact CD2-CE1 4.1Å; L136-F213 HydrophobicContact CD2-CZ 4.06Å; L136-V223 HydrophobicContact CB-CG1 3.79Å; L136-V223 HydrophobicContact CB-CG2 4.05Å; L136-V223 HydrophobicContact CD1-CG1 4.44Å; L136-V223 HydrophobicContact CD1-CG2 4.32Å; L136-V223 HydrophobicContact CD2-CG1 4.17Å; L136-V223 HydrophobicContact CG-CG1 4.36Å
137L86.4Confident76.6Confident32 Ų3249.1 Ų49.117%0.16825%0.254CS..Hα-helixtrans-59.5-37.3172.5-71.4-179.9000111.5H133 N141H133-L137 WeakPolarHBondContact NE2-CD1 3.42Å; H133-L137 WeakPolarHBondContact O-CG 3.48Å; H133-L137 PolarHBondContact O-N 3.3Å; L137-N141 WeakPolarHBondContact O-CB 3.37Å; L137-N141 PolarHBondContact O-N 3.5Å
138S86.1Confident73.8Confident28 Ų2853.1 Ų53.120%0.19628%0.275CS..Hα-helixtrans-59.2-46.6174-128.80000111.9R98 Q134 L135 L136 S142R98-S138 PolarHBondContact NE-OG 3.42Å; Q134-S138 PolarHBondContact O-N 3.01Å; L135-S138 WeakPolarHBondContact O-CA 3.44Å; L135-S138 WeakPolarHBondContact O-CB 3.23Å; L135-S138 PolarHBondContact O-N 3.43Å; L135-S138 VanDerWaalsContact O-N 3.17Å; L136-S138 PolarHBondContact O-N 3.4Å; S138-S142 WeakPolarHBondContact O-CB 3.48Å; S138-S142 PolarHBondContact O-N 2.9Å; S138-S142 PolarHBondContact O-OG 3.13Å
139L87.5Confident70.7Confident1 Ų160.4 Ų60.41%0.00531%0.314CS..Hα-helixtrans-63.7-41-177.5-17866.1000112.4L135 L136 N143 D179 L182 L183 I186 Y232 L236L135-L139 PolarHBondContact O-N 2.9Å; L136-L139 WeakPolarHBondContact O-CB 3.44Å; L136-L139 PolarHBondContact O-N 2.82Å; L139-N143 PolarHBondContact O-ND2 3.4Å; L139-D179 HydrophobicContact CD1-CB 3.63Å; L139-L182 HydrophobicContact CB-CD2 4.17Å; L139-L182 HydrophobicContact CD1-CD2 4.19Å; L139-L183 HydrophobicContact CD2-CB 4.17Å; L139-L183 HydrophobicContact CD2-CD1 4.18Å; L139-I186 HydrophobicContact CD2-CD1 4.37Å; L139-Y232 HydrophobicContact CD1-CE1 4.43Å; L139-L236 HydrophobicContact CD1-CD1 4.11Å; L139-L236 HydrophobicContact CD2-CD1 4.15Å; L139-L236 HydrophobicContact CG-CD1 4.42Å
140F82.1Confident67.9Low3 Ų364 Ų641%0.01334%0.337CS..Hα-helixtrans-92.6-29.8-176.2-64.1-68.3000114.6L136 I144 V223 L224 A229 Y232 F233L136-F140 HydrophobicContact CD2-CE2 4.04Å; L136-F140 VanDerWaalsContact O-CD2 3.23Å; L136-F140 WeakPolarHBondContact O-CD2 3.48Å; L136-F140 PolarHBondContact O-N 3.36Å; L136-F140 VanDerWaalsContact O-N 3.15Å; F140-I144 WeakPolarHBondContact O-CG1 3.34Å; F140-V223 HydrophobicContact CD2-CG1 3.43Å; F140-V223 VanDerWaalsContact CD2-CG1 3.43Å; F140-V223 HydrophobicContact CE2-CG1 3.55Å; F140-L224 HydrophobicContact CD1-CD2 4.29Å; F140-L224 HydrophobicContact CD2-CD2 4.37Å; F140-L224 HydrophobicContact CE1-CD2 3.91Å; F140-L224 HydrophobicContact CE2-CD2 4Å; F140-L224 HydrophobicContact CZ-CD2 3.76Å; F140-A229 HydrophobicContact CB-CB 4.38Å; F140-A229 HydrophobicContact CD1-CB 3.78Å; F140-A229 HydrophobicContact CE1-CB 4.49Å; F140-A229 WeakPolarHBondContact CE1-O 3.48Å; F140-A229 HydrophobicContact CG-CB 4.29Å; F140-Y232 HydrophobicContact CD1-CD1 4.27Å; F140-Y232 HydrophobicContact CE1-CD1 4.08Å; F140-F233 HydrophobicContact CE1-CB 3.84Å; F140-F233 HydrophobicContact CZ-CB 3.81Å; F140-F233 AromaticContact CZ-CD2 3.82Å; F140-F233 HydrophobicContact CZ-CD2 3.82Å; F140-F233 HydrophobicContact CZ-CG 4.06Å
141N72.6Confident65Low73 Ų7369.1 Ų69.139%0.3936%0.361SS..Hα-helixtrans-78.9-32.3-179.9-66.2-9.5000113.1L137 N143 I144L137-N141 WeakPolarHBondContact O-CB 3.37Å; L137-N141 PolarHBondContact O-N 3.5Å; N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.39Å; N141-I144 PolarHBondContact O-N 2.83Å; N141-I144 VanDerWaalsContact O-N 3.07Å
142S59.4Low62.1Low69 Ų6974 Ų7448%0.48339%0.39SS..Hα-helixtrans-57.1-43.9178.6-54.90000111.1S138 I144 N145S138-S142 WeakPolarHBondContact O-CB 3.48Å; S138-S142 PolarHBondContact O-N 2.9Å; S138-S142 PolarHBondContact O-OG 3.13Å; S142-I144 PolarHBondContact O-N 3.3Å; S142-I144 VanDerWaalsContact O-N 3.13Å; S142-N145 PolarHBondContact O-N 3.33Å
143N51.3Low59Low79 Ų7979.8 Ų79.842%0.42242%0.422SS..Hα-helixtrans-73.44.3179.5-69.5-70.7000114.7L139 N141 D179L139-N143 PolarHBondContact O-ND2 3.4Å; N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.39Å; N143-D179 PolarHBondContact ND2-OD2 3.26Å
144I47.6Very low56.5Low59 Ų5984.3 Ų84.330%0.30345%0.446SS..Hα-helixtrans-103.2-30.4175.5-65.9172.2000111.7F140 N141 S142F140-I144 WeakPolarHBondContact O-CG1 3.34Å; N141-I144 PolarHBondContact O-N 2.83Å; N141-I144 VanDerWaalsContact O-N 3.07Å; S142-I144 PolarHBondContact O-N 3.3Å; S142-I144 VanDerWaalsContact O-N 3.13Å
145N36.4Very low54Low109 Ų10988.9 Ų88.958%0.58347%0.472SS*.Hα-helixtrans-86.1-26.4-170.6-72.1-11.6000114.5S142 H147 N148S142-N145 PolarHBondContact O-N 3.33Å; N145-H147 PolarHBondContact O-N 3.1Å; N145-N148 PolarHBondContact O-N 3.3Å; N145-N148 VanDerWaalsContact O-N 3.15Å
146D35.8Very low51Low144 Ų14492.1 Ų92.177%0.7749%0.49SS*.THydrogen-bonded Turntrans-66.6-5.1-176.4-96.40000115
147H36.4Very low48.6Very low154 Ų15495.8 Ų95.871%0.71351%0.509SS*.THydrogen-bonded Turntrans-105.6-5.9175.1-78.4-43.9000115.3N145N145-H147 PolarHBondContact O-N 3.1Å
148N35.1Very low46.5Very low111 Ų111100.2 Ų100.259%0.59453%0.529SS*.  trans-114.524.5-165-66.5-14.2000114.9N145N145-N148 PolarHBondContact O-N 3.3Å; N145-N148 VanDerWaalsContact O-N 3.15Å
149N30.9Very low44Very low154 Ų154104.8 Ų104.882%0.82455%0.55SS**  trans-89.5-3.6179.4-86.9-41.3000115.1
150D33.3Very low41.8Very low142 Ų142110.2 Ų110.276%0.75958%0.579SS**SBendtrans-95.4145.6165.7-82.3-46.3000110.3V152D150-V152 PolarHBondContact O-N 3.1Å
151H30.2Very low39.8Very low210 Ų210114 Ų11497%0.97260%0.599SS**  trans-66.791.4174.6-88.5-77.9000111
152V33.4Very low38.1Very low102 Ų102117.3 Ų117.362%0.61862%0.617SS**  trans-99.3119.7171.3178.30000109.1D150 L154 N156D150-V152 PolarHBondContact O-N 3.1Å; V152-L154 PolarHBondContact O-N 3.01Å; V152-N156 HydrophobicContact CG1-CB 3.77Å
153D29.6Very low36.8Very low124 Ų124119.3 Ų119.366%0.66362%0.621SS**  trans-57.9136.4172.6-84.8-52.3000110.5D155 N156D153-D155 PolarHBondContact O-N 3.47Å; D153-N156 WeakPolarHBondContact O-CB 3.45Å; D153-N156 PolarHBondContact O-N 3.35Å; D153-N156 PolarHBondContact O-ND2 3.2Å
154L38.6Very low36Very low126 Ų126124.6 Ų124.666%0.6664%0.641SS**G310 helixtrans-56-28.1-175-138.766.9000113.1V152 N156 L157 E302V152-L154 PolarHBondContact O-N 3.01Å; L154-N156 PolarHBondContact O-N 3.03Å; L154-L157 PolarHBondContact O-N 3.42Å; L154-E302 WeakPolarHBondContact CD1-OE1 3.41Å; L154-E302 WeakPolarHBondContact CD2-OE1 3.46Å; L154-E302 WeakPolarHBondContact CG-OE1 3.47Å
155D37.2Very low35.5Very low145 Ų145127 Ų12778%0.77565%0.653SS**G310 helixtrans-64.2-16.9176.1-67-27.9000113.8D153 L157D153-D155 PolarHBondContact O-N 3.47Å; D155-L157 VanDerWaalsContact C-N 3.29Å; D155-L157 PolarHBondContact O-N 3.02Å
156N30.9Very low35.2Very low69 Ų69124.7 Ų124.737%0.36964%0.644SS.*G310 helixtrans-79.9-1.5179.1-66.3-75.7000114.3V152 D153 L154 H158 L159V152-N156 HydrophobicContact CG1-CB 3.77Å; D153-N156 WeakPolarHBondContact O-CB 3.45Å; D153-N156 PolarHBondContact O-N 3.35Å; D153-N156 PolarHBondContact O-ND2 3.2Å; L154-N156 PolarHBondContact O-N 3.03Å; N156-H158 PolarHBondContact O-N 3.43Å; N156-H158 VanDerWaalsContact O-N 3.12Å; N156-L159 WeakPolarHBondContact O-CB 3.28Å; N156-L159 PolarHBondContact O-N 3.1Å
157L39.8Very low35.3Very low77 Ų77126.5 Ų126.540%0.40365%0.645SS.*G310 helixtrans-59-27.7179.8-15872.1000112.5L154 D155 L159 L160 M306L154-L157 PolarHBondContact O-N 3.42Å; D155-L157 VanDerWaalsContact C-N 3.29Å; D155-L157 PolarHBondContact O-N 3.02Å; L157-L159 PolarHBondContact O-N 3.36Å; L157-L160 HydrophobicContact CD1-CD1 4.37Å; L157-M306 HydrophobicContact CD2-SD 3.8Å; L157-M306 HydrophobicContact CG-SD 4.45Å
158H41.4Very low35.2Very low126 Ų126125.3 Ų125.358%0.58364%0.644SS**G310 helixtrans-70.2-10.7173.8-72.2-73.5000114.9N156N156-H158 PolarHBondContact O-N 3.43Å; N156-H158 VanDerWaalsContact O-N 3.12Å
159L35.4Very low35.3Very low124 Ų124126 Ų12665%0.64964%0.643SS**G310 helixtrans-94.1-4.8-177.8-119.8151.6000113.5N156 L157N156-L159 WeakPolarHBondContact O-CB 3.28Å; N156-L159 PolarHBondContact O-N 3.1Å; L157-L159 PolarHBondContact O-N 3.36Å
160L40.2Very low35.5Very low115 Ų115125 Ų12560%0.60264%0.636SS**SBendtrans-85.7-15.1176-70.7171.8000113.9L157 L163L157-L160 HydrophobicContact CD1-CD1 4.37Å; L160-L163 HydrophobicContact CD2-CD1 4.41Å
161D40.1Very low35.3Very low81 Ų81123.5 Ų123.543%0.43363%0.628SS.*THydrogen-bonded Turntrans-74.9-23.9-176-107.8-10.7000113.8H312D161-H312 IonicContact OD2-CE1 3.53Å; D161-H312 IonicContact OD2-CG 3.85Å; D161-H312 IonicContact OD2-ND1 2.75Å; D161-H312 PolarHBondContact OD2-ND1 3.24Å
162D36.3Very low35.5Very low144 Ų144120.8 Ų120.877%0.7762%0.615SS**THydrogen-bonded Turntrans-100-1.3-177.1-108.4-25.9000114.1F164D162-F164 VanDerWaalsContact C-N 3.32Å; D162-F164 PolarHBondContact O-N 2.95Å
163L32.8Very low35.5Very low110 Ų110120.5 Ų120.558%0.57662%0.618SS**  trans-72.192.3169.2-82.5174000109.9L160 I165L160-L163 HydrophobicContact CD2-CD1 4.41Å; L163-I165 PolarHBondContact O-N 3.12Å
164F35.2Very low35.7Very low191 Ų191121.2 Ų121.284%0.83862%0.62SS**  trans-41.598.2139.7-85-102000108.1D162 P166D162-F164 VanDerWaalsContact C-N 3.32Å; D162-F164 PolarHBondContact O-N 2.95Å; F164-P166 WeakPolarHBondContact O-CD 3.26Å
165I36.4Very low36.3Very low109 Ų109116.9 Ų116.956%0.55960%0.6SS**  trans-54.7110.6166.1-61176.5000105L163 K167 Q169 M170L163-I165 PolarHBondContact O-N 3.12Å; I165-K167 PolarHBondContact O-N 3.36Å; I165-Q169 HydrophobicContact CG2-CB 3.96Å; I165-M170 HydrophobicContact CG2-CG 4.33Å
166P30.1Very low37.9Very low61 Ų61113.7 Ų113.740%0.39658%0.583SS.*  trans-60.6146.1-179.2-21.734.8000107.2F164 N168 Q169 M170F164-P166 WeakPolarHBondContact O-CD 3.26Å; P166-N168 PolarHBondContact O-N 3.32Å; P166-Q169 PolarHBondContact O-N 3.43Å; P166-M170 PolarHBondContact O-N 3.2Å
167K38.4Very low40.4Very low181 Ų181115.6 Ų115.679%0.78759%0.59SS**THydrogen-bonded Turntrans-58.5-7.8177.5-72.9-173.9173.6-177.70113.8I165I165-K167 PolarHBondContact O-N 3.36Å
168N33.4Very low42.6Very low130 Ų130114.6 Ų114.670%0.69558%0.581SS**THydrogen-bonded Turntrans-94.5-12.4175.1-54.8-0.7000113.9P166 N171P166-N168 PolarHBondContact O-N 3.32Å; N168-N171 WeakPolarHBondContact O-CB 3.43Å; N168-N171 PolarHBondContact O-ND2 2.83Å
169Q37.1Very low44.8Very low124 Ų124109.2 Ų109.258%0.57956%0.557SS**THydrogen-bonded Turntrans-95.3-13.3166.5-77.8-176.8-35.100112.4I165 P166 N171I165-Q169 HydrophobicContact CG2-CB 3.96Å; P166-Q169 PolarHBondContact O-N 3.43Å; Q169-N171 PolarHBondContact O-N 2.81Å
170M36.2Very low47.3Very low134 Ų134104.6 Ų104.666%0.6653%0.532SS*.THydrogen-bonded Turntrans-64.18157.6-93.7-179.1164.200113.7I165 P166 H172I165-M170 HydrophobicContact CG2-CG 4.33Å; P166-M170 PolarHBondContact O-N 3.2Å; M170-H172 PolarHBondContact O-N 2.84Å
171N29.1Very low49.7Very low111 Ų11199.3 Ų99.359%0.59450%0.504SS*.THydrogen-bonded Turntrans-7820.7169.2-71.4-3000114N168 Q169 S173N168-N171 WeakPolarHBondContact O-CB 3.43Å; N168-N171 PolarHBondContact O-ND2 2.83Å; Q169-N171 PolarHBondContact O-N 2.81Å; N171-S173 PolarHBondContact O-N 3.39Å
172H33.4Very low52.2Low152 Ų15295.7 Ų95.770%0.70449%0.485SS*.  trans-68.250.1140.3-66.4-89.2000109.8M170 I174M170-H172 PolarHBondContact O-N 2.84Å; H172-I174 PolarHBondContact O-N 3.04Å
173S33.6Very low54.9Low97 Ų9789 Ų8968%0.67845%0.448SS*.  trans-88.113.1177.456.90000111.8N171N171-S173 PolarHBondContact O-N 3.39Å
174I35Very low57.8Low139 Ų13983.7 Ų83.771%0.71342%0.421SS*.SBendtrans-109.5102.1148.2-58170.9000103H172 N176H172-I174 PolarHBondContact O-N 3.04Å; I174-N176 PolarHBondContact O-N 3.19Å
175S50.1Low60.5Low34 Ų3474.7 Ų74.724%0.23838%0.382CS..  trans-60.1126.8151.945.10000105.3Q177 E239S175-Q177 PolarHBondContact O-N 2.98Å; S175-E239 WeakPolarHBondContact CB-OE2 3.27Å; S175-E239 PolarHBondContact OG-OE2 2.66Å
176N70.7Confident63.3Low79 Ų7969.6 Ų69.642%0.42236%0.356SS..  trans-57.2118.5-174.1-174.618.8000107.8I174 Y178 D179 Q180I174-N176 PolarHBondContact O-N 3.19Å; N176-Y178 PolarHBondContact O-N 3.21Å; N176-Y178 VanDerWaalsContact O-N 3.1Å; N176-D179 HydrophobicContact CB-CB 4.02Å; N176-D179 WeakPolarHBondContact CB-OD1 3.45Å; N176-D179 PolarHBondContact ND2-OD1 3.4Å; N176-D179 WeakPolarHBondContact O-CA 3.32Å; N176-D179 PolarHBondContact O-N 3.31Å; N176-Q180 PolarHBondContact O-N 2.81Å
177Q82.8Confident66.4Low109 Ų10966.7 Ų66.751%0.50934%0.337SS..Hα-helixtrans-55-37-174.5178.5-177.9-36.300109.9S175 Q180 Q181S175-Q177 PolarHBondContact O-N 2.98Å; Q177-Q180 PolarHBondContact O-N 2.98Å; Q177-Q181 HydrophobicContact CG-CG 4.41Å; Q177-Q181 WeakPolarHBondContact O-CB 3.34Å; Q177-Q181 WeakPolarHBondContact O-CG 3.12Å; Q177-Q181 PolarHBondContact O-N 3.06Å
178Y87.3Confident69Low56 Ų5658 Ų5822%0.2230%0.299CS..Hα-helixtrans-60.3-45.7172.3176.8-94.9000113.6L97 R98 L102 N176 Q180 Q181 L182L97-Y178 PolarHBondContact O-OH 3.18Å; R98-Y178 WeakPolarHBondContact CA-OH 3.45Å; R98-Y178 PolarHBondContact O-OH 2.97Å; R98-Y178 VanDerWaalsContact O-OH 3.1Å; L102-Y178 HydrophobicContact CD1-CD2 4.2Å; L102-Y178 HydrophobicContact CD1-CE2 3.86Å; L102-Y178 HydrophobicContact CD2-CE2 4.29Å; L102-Y178 HydrophobicContact CG-CD2 4.21Å; L102-Y178 HydrophobicContact CG-CE2 3.87Å; N176-Y178 PolarHBondContact O-N 3.21Å; N176-Y178 VanDerWaalsContact O-N 3.1Å; Y178-Q180 VanDerWaalsContact C-N 3.33Å; Y178-Q180 PolarHBondContact O-N 3.25Å; Y178-Q181 PolarHBondContact O-N 2.76Å; Y178-L182 HydrophobicContact CE1-CB 4.4Å; Y178-L182 HydrophobicContact CE1-CD2 3.91Å; Y178-L182 WeakPolarHBondContact O-CB 3.12Å; Y178-L182 PolarHBondContact O-N 3.1Å
179D88.4Confident72Confident12 Ų1251.9 Ų51.96%0.06427%0.266CS..Hα-helixtrans-64.6-35.9177-72.848.3000111.8L139 N143 N176 L182 L183 Y232L139-D179 HydrophobicContact CD1-CB 3.63Å; N143-D179 PolarHBondContact ND2-OD2 3.26Å; N176-D179 HydrophobicContact CB-CB 4.02Å; N176-D179 WeakPolarHBondContact CB-OD1 3.45Å; N176-D179 PolarHBondContact ND2-OD1 3.4Å; N176-D179 WeakPolarHBondContact O-CA 3.32Å; N176-D179 PolarHBondContact O-N 3.31Å; D179-L182 PolarHBondContact O-N 2.85Å; D179-L183 PolarHBondContact O-N 3.17Å; D179-Y232 WeakPolarHBondContact CB-OH 3.07Å; D179-Y232 PolarHBondContact OD2-OH 2.98Å
180Q87.4Confident74.7Confident28 Ų2846 Ų4613%0.13124%0.239CC..Hα-helixtrans-67.2-49.6173.6-171.4-179.923.500111.4Y56 N176 Q177 Y178 L182 L183 I184 E239Y56-Q180 HydrophobicContact CE1-CG 4.41Å; Y56-Q180 PolarHBondContact OH-OE1 3.31Å; N176-Q180 PolarHBondContact O-N 2.81Å; Q177-Q180 PolarHBondContact O-N 2.98Å; Y178-Q180 VanDerWaalsContact C-N 3.33Å; Y178-Q180 PolarHBondContact O-N 3.25Å; Q180-L182 VanDerWaalsContact C-N 3.26Å; Q180-L182 PolarHBondContact O-N 3.07Å; Q180-L183 PolarHBondContact O-N 3.01Å; Q180-I184 HydrophobicContact CG-CD1 4.32Å; Q180-I184 VanDerWaalsContact O-CG1 3.31Å; Q180-I184 WeakPolarHBondContact O-CG1 3.45Å; Q180-I184 PolarHBondContact O-N 3.09Å; Q180-E239 PolarHBondContact NE2-O 2.9Å
181Q90.7Very high77.4Confident4 Ų439.6 Ų39.62%0.01921%0.207CC..Hα-helixtrans-57.4-39.4172.9-69.3167.1-29.400110.9I55 Y56 D101 L102 D103 Q177 Y178 I184 G185I55-Q181 WeakPolarHBondContact CD1-O 3.22Å; I55-Q181 HydrophobicContact CG2-CB 4.13Å; I55-Q181 HydrophobicContact CG2-CG 3.87Å; Y56-Q181 HydrophobicContact CE2-CG 3.97Å; D101-Q181 PolarHBondContact OD1-NE2 3.46Å; L102-Q181 HydrophobicContact CB-CB 3.89Å; L102-Q181 HydrophobicContact CB-CG 4.47Å; L102-Q181 VanDerWaalsContact CD1-C 3.47Å; L102-Q181 HydrophobicContact CD1-CB 3.63Å; L102-Q181 HydrophobicContact CG-CB 4.26Å; D103-Q181 PolarHBondContact OD2-NE2 2.98Å; Q177-Q181 HydrophobicContact CG-CG 4.41Å; Q177-Q181 WeakPolarHBondContact O-CB 3.34Å; Q177-Q181 WeakPolarHBondContact O-CG 3.12Å; Q177-Q181 PolarHBondContact O-N 3.06Å; Y178-Q181 PolarHBondContact O-N 2.76Å; Q181-I184 WeakPolarHBondContact O-CB 3.43Å; Q181-I184 PolarHBondContact O-N 3.3Å; Q181-G185 PolarHBondContact O-N 2.72Å
182L92.6Very high80.5Confident5 Ų534.4 Ų34.43%0.02618%0.18CC..Hα-helixtrans-67.5-43-179.1179.359.8000111.2L102 L135 L139 Y178 D179 Q180 I184 G185 I186L102-L182 VanDerWaalsContact CD1-CA 3.49Å; L102-L182 HydrophobicContact CD1-CB 3.92Å; L102-L182 HydrophobicContact CD1-CD1 4.44Å; L102-L182 VanDerWaalsContact CD1-N 3.34Å; L135-L182 HydrophobicContact CB-CD1 4.37Å; L135-L182 HydrophobicContact CD2-CD1 4.16Å; L139-L182 HydrophobicContact CB-CD2 4.17Å; L139-L182 HydrophobicContact CD1-CD2 4.19Å; Y178-L182 HydrophobicContact CE1-CB 4.4Å; Y178-L182 HydrophobicContact CE1-CD2 3.91Å; Y178-L182 WeakPolarHBondContact O-CB 3.12Å; Y178-L182 PolarHBondContact O-N 3.1Å; D179-L182 PolarHBondContact O-N 2.85Å; Q180-L182 VanDerWaalsContact C-N 3.26Å; Q180-L182 PolarHBondContact O-N 3.07Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 PolarHBondContact O-N 2.58Å; L182-G185 PolarHBondContact O-N 2.94Å; L182-I186 HydrophobicContact CD1-CD1 4.21Å; L182-I186 HydrophobicContact CD1-CG1 4.39Å; L182-I186 HydrophobicContact CG-CD1 3.97Å; L182-I186 WeakPolarHBondContact O-CB 3.17Å; L182-I186 WeakPolarHBondContact O-CD1 3.49Å; L182-I186 VanDerWaalsContact O-CG1 3.22Å; L182-I186 WeakPolarHBondContact O-CG1 3.32Å; L182-I186 PolarHBondContact O-N 3.04Å
183L93.1Very high83.4Confident2 Ų227.2 Ų27.21%0.0115%0.146CC..Hα-helixtrans-62.7-39.7172.6-177.761.8000111.7L139 D179 Q180 I186 L187 F233 L236 L237L139-L183 HydrophobicContact CD2-CB 4.17Å; L139-L183 HydrophobicContact CD2-CD1 4.18Å; D179-L183 PolarHBondContact O-N 3.17Å; Q180-L183 PolarHBondContact O-N 3.01Å; L183-I186 PolarHBondContact O-N 3.44Å; L183-L187 HydrophobicContact CD1-CD1 4.17Å; L183-L187 HydrophobicContact CD1-CG 4.27Å; L183-L187 HydrophobicContact CG-CD1 3.96Å; L183-L187 HydrophobicContact CG-CG 4.48Å; L183-L187 WeakPolarHBondContact O-CB 3.31Å; L183-L187 VanDerWaalsContact O-CG 3.24Å; L183-L187 WeakPolarHBondContact O-CG 3.5Å; L183-L187 PolarHBondContact O-N 3.43Å; L183-F233 HydrophobicContact CD1-CE2 4.23Å; L183-L236 HydrophobicContact CD2-CB 3.51Å; L183-L236 HydrophobicContact CD2-CD1 4.17Å; L183-L236 HydrophobicContact CD2-CG 4.5Å; L183-L237 HydrophobicContact CD2-CD2 4.3Å
184I93Very high86.2Confident0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-59.2-47.8173.3-68.8165.5000110.4I55 Y56 F59 Q180 Q181 L182 L187 L188 L240I55-I184 HydrophobicContact CD1-CB 4.02Å; I55-I184 HydrophobicContact CD1-CG2 3.77Å; I55-I184 HydrophobicContact CG1-CB 4.43Å; I55-I184 HydrophobicContact CG1-CG2 3.67Å; Y56-I184 HydrophobicContact CD1-CD1 3.46Å; Y56-I184 VanDerWaalsContact CD1-CD1 3.46Å; Y56-I184 HydrophobicContact CE1-CD1 3.26Å; Y56-I184 HydrophobicContact CG-CD1 4.27Å; F59-I184 HydrophobicContact CB-CG2 3.82Å; F59-I184 HydrophobicContact CD2-CG2 3.75Å; F59-I184 HydrophobicContact CG-CG2 3.97Å; Q180-I184 HydrophobicContact CG-CD1 4.32Å; Q180-I184 VanDerWaalsContact O-CG1 3.31Å; Q180-I184 WeakPolarHBondContact O-CG1 3.45Å; Q180-I184 PolarHBondContact O-N 3.09Å; Q181-I184 WeakPolarHBondContact O-CB 3.43Å; Q181-I184 PolarHBondContact O-N 3.3Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 PolarHBondContact O-N 2.58Å; I184-L187 CarbonylContact O-C 3.52Å; I184-L187 PolarHBondContact O-N 3Å; I184-L188 HydrophobicContact CG2-CD1 4.09Å; I184-L188 HydrophobicContact CG2-CG 4.31Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 WeakPolarHBondContact O-CG 3.22Å; I184-L188 PolarHBondContact O-N 3.42Å; I184-L240 HydrophobicContact CD1-CD1 3.92Å; I184-L240 HydrophobicContact CG1-CD1 3.46Å; I184-L240 VanDerWaalsContact CG1-CD1 3.46Å
185G92.9Very high88.8Confident2 Ų218.4 Ų18.42%0.02110%0.097CC..Hα-helixtrans-62-44.1179.600000113.4Q181 L182 L187 L188 I189Q181-G185 PolarHBondContact O-N 2.72Å; L182-G185 PolarHBondContact O-N 2.94Å; G185-L187 VanDerWaalsContact C-N 3.32Å; G185-L187 PolarHBondContact O-N 3.26Å; G185-L188 PolarHBondContact O-N 3.38Å; G185-I189 WeakPolarHBondContact O-CG1 3.45Å; G185-I189 PolarHBondContact O-N 3.36Å
186I94.7Very high90.7Very high1 Ų117.4 Ų17.41%0.0059%0.089CC..Hα-helixtrans-57.5-46.4172.4-71.2162.8000110.5I132 L135 L136 L139 L182 L183 S190I132-I186 HydrophobicContact CG2-CG2 4.25Å; L135-I186 HydrophobicContact CB-CD1 3.79Å; L135-I186 HydrophobicContact CB-CG1 3.64Å; L135-I186 HydrophobicContact CD1-CG1 4.26Å; L136-I186 HydrophobicContact CD1-CG2 4.27Å; L136-I186 HydrophobicContact CD2-CD1 4.03Å; L136-I186 HydrophobicContact CD2-CG2 3.92Å; L136-I186 HydrophobicContact CG-CD1 4.1Å; L136-I186 HydrophobicContact CG-CG2 3.87Å; L139-I186 HydrophobicContact CD2-CD1 4.37Å; L182-I186 HydrophobicContact CD1-CD1 4.21Å; L182-I186 HydrophobicContact CD1-CG1 4.39Å; L182-I186 HydrophobicContact CG-CD1 3.97Å; L182-I186 WeakPolarHBondContact O-CB 3.17Å; L182-I186 WeakPolarHBondContact O-CD1 3.49Å; L182-I186 VanDerWaalsContact O-CG1 3.22Å; L182-I186 WeakPolarHBondContact O-CG1 3.32Å; L182-I186 PolarHBondContact O-N 3.04Å; L183-I186 PolarHBondContact O-N 3.44Å; I186-S190 VanDerWaalsContact O-CB 3.28Å; I186-S190 WeakPolarHBondContact O-CB 3.16Å; I186-S190 PolarHBondContact O-N 3.25Å; I186-S190 PolarHBondContact O-OG 2.83Å
187L94.4Very high91.4Very high0 Ų016.5 Ų16.50%08%0.084CC..Hα-helixtrans-69-37.3179.7-70.8169000112.3F59 L183 I184 G185 S190 R191 W208 W209 L240F59-L187 HydrophobicContact CE2-CB 3.98Å; F59-L187 HydrophobicContact CE2-CD1 4.45Å; L183-L187 HydrophobicContact CD1-CD1 4.17Å; L183-L187 HydrophobicContact CD1-CG 4.27Å; L183-L187 HydrophobicContact CG-CD1 3.96Å; L183-L187 HydrophobicContact CG-CG 4.48Å; L183-L187 WeakPolarHBondContact O-CB 3.31Å; L183-L187 VanDerWaalsContact O-CG 3.24Å; L183-L187 WeakPolarHBondContact O-CG 3.5Å; L183-L187 PolarHBondContact O-N 3.43Å; I184-L187 CarbonylContact O-C 3.52Å; I184-L187 PolarHBondContact O-N 3Å; G185-L187 VanDerWaalsContact C-N 3.32Å; G185-L187 PolarHBondContact O-N 3.26Å; L187-S190 PolarHBondContact O-N 3.47Å; L187-R191 VanDerWaalsContact O-CB 3.27Å; L187-R191 WeakPolarHBondContact O-CB 3.38Å; L187-R191 WeakPolarHBondContact O-CD 3.24Å; L187-R191 WeakPolarHBondContact O-CG 3.28Å; L187-R191 PolarHBondContact O-N 3.36Å; L187-W208 HydrophobicContact CD2-CH2 3.99Å; L187-W208 HydrophobicContact CD2-CZ3 4.17Å; L187-W209 HydrophobicContact CD2-CZ3 3.97Å; L187-L240 HydrophobicContact CD1-CD2 3.31Å
188L94.1Very high91.6Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-58.5-53173.2-82.2176.7000111.3I55 F59 Y63 W107 L111 I184 G185 S190 R191 Q192I55-L188 HydrophobicContact CD1-CD1 4.43Å; I55-L188 HydrophobicContact CG1-CD1 3.84Å; F59-L188 HydrophobicContact CD2-CD2 4.17Å; F59-L188 HydrophobicContact CD2-CG 4.17Å; Y63-L188 HydrophobicContact CE1-CD2 3.97Å; W107-L188 HydrophobicContact CD2-CD1 4.1Å; W107-L188 HydrophobicContact CE3-CB 4.45Å; W107-L188 HydrophobicContact CE3-CD1 3.83Å; W107-L188 HydrophobicContact CZ3-CB 4.45Å; W107-L188 HydrophobicContact CZ3-CD1 4.35Å; L111-L188 HydrophobicContact CD1-CB 4.45Å; L111-L188 HydrophobicContact CD1-CD2 4.22Å; L111-L188 HydrophobicContact CD2-CB 4.19Å; I184-L188 HydrophobicContact CG2-CD1 4.09Å; I184-L188 HydrophobicContact CG2-CG 4.31Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 WeakPolarHBondContact O-CG 3.22Å; I184-L188 PolarHBondContact O-N 3.42Å; G185-L188 PolarHBondContact O-N 3.38Å; L188-S190 VanDerWaalsContact C-N 3.31Å; L188-S190 PolarHBondContact O-N 3.17Å; L188-R191 PolarHBondContact O-N 3.41Å; L188-Q192 PolarHBondContact O-N 3.01Å
189I95Very high91.6Very high0 Ų024.1 Ų24.10%011%0.108CC..Hα-helixtrans-61.1-42.3178.7-64.8165.1000110.6L97 W107 I110 L111 I114 V128 I132 L135 G185 R191 Q192 L193L97-I189 HydrophobicContact CD1-CD1 3.69Å; W107-I189 HydrophobicContact CZ3-CD1 4.17Å; W107-I189 HydrophobicContact CZ3-CG1 4.18Å; I110-I189 HydrophobicContact CG2-CD1 4.42Å; I110-I189 HydrophobicContact CG2-CG1 4.33Å; L111-I189 HydrophobicContact CD2-CG1 4.38Å; I114-I189 HydrophobicContact CD1-CG2 3.94Å; I114-I189 HydrophobicContact CG1-CG2 4.17Å; I114-I189 HydrophobicContact CG2-CG2 4.34Å; V128-I189 HydrophobicContact CG1-CG2 3.79Å; I132-I189 HydrophobicContact CD1-CG2 4.08Å; I132-I189 HydrophobicContact CG1-CB 4.48Å; I132-I189 HydrophobicContact CG1-CG2 3.85Å; L135-I189 HydrophobicContact CD1-CD1 4.37Å; G185-I189 WeakPolarHBondContact O-CG1 3.45Å; G185-I189 PolarHBondContact O-N 3.36Å; I189-R191 VanDerWaalsContact C-N 3.33Å; I189-R191 PolarHBondContact O-N 3.26Å; I189-Q192 PolarHBondContact O-N 3.49Å; I189-L193 WeakPolarHBondContact O-CB 3.33Å; I189-L193 PolarHBondContact O-N 3.42Å
190S94.3Very high91.4Very high0 Ų029.1 Ų29.10%013%0.134CC..Hα-helixtrans-68.5-30.1178.8-54.70000113.3I132 I186 L187 L188 C194 W208I132-S190 WeakPolarHBondContact CD1-OG 3.45Å; I186-S190 VanDerWaalsContact O-CB 3.28Å; I186-S190 WeakPolarHBondContact O-CB 3.16Å; I186-S190 PolarHBondContact O-N 3.25Å; I186-S190 PolarHBondContact O-OG 2.83Å; L187-S190 PolarHBondContact O-N 3.47Å; L188-S190 VanDerWaalsContact C-N 3.31Å; L188-S190 PolarHBondContact O-N 3.17Å; S190-C194 WeakPolarHBondContact O-CB 3.03Å; S190-C194 PolarHBondContact O-N 3.06Å; S190-C194 PolarHBondContact O-SG 3.33Å; S190-W208 WeakPolarHBondContact OG-CH2 3.24Å; S190-W208 WeakPolarHBondContact OG-CZ2 3.4Å
191R93.8Very high91.4Very high0 Ų028.2 Ų28.20%013%0.131CC..Hα-helixtrans-75.9-40.5175.2-74.1167.6-175.1-152.3-5.5111.5F59 Y63 L187 L188 I189 C194 S195 Y205 E244 F249F59-R191 VanDerWaalsContact CZ-NH1 3.25Å; Y63-R191 HydrophobicContact CD1-CB 4.11Å; Y63-R191 HydrophobicContact CE1-CB 3.44Å; Y63-R191 VanDerWaalsContact CE1-CB 3.44Å; Y63-R191 HydrophobicContact CE2-CB 4.28Å; Y63-R191 VanDerWaalsContact OH-CD 3.23Å; Y63-R191 WeakPolarHBondContact OH-CD 3.36Å; L187-R191 VanDerWaalsContact O-CB 3.27Å; L187-R191 WeakPolarHBondContact O-CB 3.38Å; L187-R191 WeakPolarHBondContact O-CD 3.24Å; L187-R191 WeakPolarHBondContact O-CG 3.28Å; L187-R191 PolarHBondContact O-N 3.36Å; L188-R191 PolarHBondContact O-N 3.41Å; I189-R191 VanDerWaalsContact C-N 3.33Å; I189-R191 PolarHBondContact O-N 3.26Å; R191-C194 CarbonylContact O-C 3.52Å; R191-C194 VanDerWaalsContact O-C 3.3Å; R191-C194 WeakPolarHBondContact O-CA 3.24Å; R191-C194 PolarHBondContact O-N 3.15Å; R191-S195 PolarHBondContact O-N 2.63Å; R191-Y205 HydrophobicContact CG-CD2 4.07Å; R191-Y205 HydrophobicContact CG-CE2 3.6Å; R191-Y205 PolarHBondContact NH2-OH 3.25Å; R191-E244 IonicContact CZ-OE1 2.79Å; R191-E244 IonicContact CZ-OE2 3.55Å; R191-E244 IonicContact NH1-OE1 3.48Å; R191-E244 PolarHBondContact NH1-OE1 3.31Å; R191-E244 IonicContact NH1-OE2 2.65Å; R191-E244 PolarHBondContact NH1-OE2 3Å; R191-E244 IonicContact NH2-OE2 3.47Å; R191-E244 PolarHBondContact NH2-OE2 3.44Å; R191-F249 HydrophobicContact CB-CD2 4.47Å; R191-F249 HydrophobicContact CB-CE2 3.82Å; R191-F249 HydrophobicContact CB-CZ 4.05Å; R191-F249 VanDerWaalsContact CD-CD2 3.48Å; R191-F249 HydrophobicContact CG-CD2 3.66Å; R191-F249 HydrophobicContact CG-CE1 4.43Å; R191-F249 HydrophobicContact CG-CE2 3.49Å; R191-F249 VanDerWaalsContact CG-CE2 3.49Å; R191-F249 HydrophobicContact CG-CG 4.24Å; R191-F249 HydrophobicContact CG-CZ 3.9Å
192Q93.6Very high91.2Very high3 Ų330.4 Ų30.41%0.01415%0.154CC..Hα-helixtrans-63.1-41.9172.3-174.970.950.500112.2Y63 L64 L111 I114 L188 I189 C194 S195 E196Y63-Q192 HydrophobicContact CD1-CB 4.29Å; L64-Q192 PolarHBondContact O-NE2 3.36Å; L111-Q192 HydrophobicContact CB-CG 4.34Å; L111-Q192 HydrophobicContact CD2-CB 3.83Å; L111-Q192 HydrophobicContact CD2-CG 4.3Å; L111-Q192 WeakPolarHBondContact O-CG 3.32Å; I114-Q192 HydrophobicContact CB-CG 4.44Å; I114-Q192 HydrophobicContact CG2-CB 4.33Å; I114-Q192 HydrophobicContact CG2-CG 4.01Å; L188-Q192 PolarHBondContact O-N 3.01Å; I189-Q192 PolarHBondContact O-N 3.49Å; Q192-C194 PolarHBondContact O-N 3.43Å; Q192-C194 VanDerWaalsContact O-N 3.13Å; Q192-S195 WeakPolarHBondContact CA-OG 3.34Å; Q192-S195 PolarHBondContact O-N 3.15Å; Q192-S195 PolarHBondContact O-OG 3Å; Q192-E196 PolarHBondContact NE2-OE1 2.84Å; Q192-E196 VanDerWaalsContact NE2-OE1 3.15Å
193L93.3Very high91.1Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-55-29.7170.817464.3000112.5I118 V125 V128 K129 I132 I189 I203I118-L193 HydrophobicContact CB-CD1 4.49Å; I118-L193 HydrophobicContact CD1-CD1 4.21Å; I118-L193 HydrophobicContact CG2-CD1 3.89Å; V125-L193 HydrophobicContact CG1-CD1 4.27Å; V125-L193 HydrophobicContact CG2-CD1 4.44Å; V128-L193 HydrophobicContact CG1-CB 4.34Å; V128-L193 HydrophobicContact CG1-CD1 4.39Å; V128-L193 HydrophobicContact CG1-CD2 4.29Å; K129-L193 HydrophobicContact CG-CD2 4.23Å; I132-L193 HydrophobicContact CD1-CD2 3.84Å; I189-L193 WeakPolarHBondContact O-CB 3.33Å; I189-L193 PolarHBondContact O-N 3.42Å; L193-I203 HydrophobicContact CD1-CG2 4.32Å; L193-I203 HydrophobicContact CG-CG2 4.22Å
194C92.4Very high91Very high15 Ų1533.2 Ų33.210%0.10117%0.169CC..THydrogen-bonded Turntrans-106.87.4-175.6-62.20000114.4S190 R191 Q192 Y205S190-C194 WeakPolarHBondContact O-CB 3.03Å; S190-C194 PolarHBondContact O-N 3.06Å; S190-C194 PolarHBondContact O-SG 3.33Å; R191-C194 CarbonylContact O-C 3.52Å; R191-C194 VanDerWaalsContact O-C 3.3Å; R191-C194 WeakPolarHBondContact O-CA 3.24Å; R191-C194 PolarHBondContact O-N 3.15Å; Q192-C194 PolarHBondContact O-N 3.43Å; Q192-C194 VanDerWaalsContact O-N 3.13Å; C194-Y205 HydrophobicContact CB-CD2 4.32Å; C194-Y205 VanDerWaalsContact SG-CA 3.54Å; C194-Y205 PolarHBondContact SG-N 3.42Å; C194-Y205 VanDerWaalsContact SG-N 3.42Å
195S90.5Very high90.9Very high36 Ų3633.4 Ų33.425%0.25217%0.17SC..THydrogen-bonded Turntrans-99.6-25.2175.558.70000113.2T65 R191 Q192T65-S195 WeakPolarHBondContact CG2-O 3.36Å; R191-S195 PolarHBondContact O-N 2.63Å; Q192-S195 WeakPolarHBondContact CA-OG 3.34Å; Q192-S195 PolarHBondContact O-N 3.15Å; Q192-S195 PolarHBondContact O-OG 3Å
196E89Confident90.8Very high14 Ų1438.9 Ų38.97%0.06519%0.193CC..SBendtrans-64167.7169.4-55.2-59.1156.900112T65 F66 S115 I118 T119 Q192 Y198 T201T65-E196 WeakPolarHBondContact CA-OE1 3.48Å; T65-E196 WeakPolarHBondContact CB-OE2 3.3Å; F66-E196 PolarHBondContact N-OE1 3.46Å; F66-E196 PolarHBondContact N-OE2 3.45Å; S115-E196 VanDerWaalsContact CB-OE1 3.27Å; S115-E196 WeakPolarHBondContact CB-OE1 3.37Å; S115-E196 PolarHBondContact OG-OE1 3.24Å; I118-E196 HydrophobicContact CD1-CB 4.48Å; I118-E196 HydrophobicContact CD1-CG 3.56Å; I118-E196 HydrophobicContact CG1-CG 4.03Å; T119-E196 HydrophobicContact CG2-CB 4.5Å; T119-E196 HydrophobicContact CG2-CG 4.07Å; Q192-E196 PolarHBondContact NE2-OE1 2.84Å; Q192-E196 VanDerWaalsContact NE2-OE1 3.15Å; E196-Y198 PolarHBondContact O-N 3.18Å; E196-T201 HydrophobicContact CB-CG2 3.77Å; E196-T201 HydrophobicContact CG-CG2 4.49Å
197D85.9Confident90.6Very high60 Ų6041.8 Ų41.832%0.32121%0.207SC..  trans-60.5121.6178.4-169.1-27.5000111.6R199 L200 T201D197-R199 PolarHBondContact O-N 3.05Å; D197-R199 VanDerWaalsContact OD1-CB 3.27Å; D197-R199 WeakPolarHBondContact OD1-CB 3.27Å; D197-R199 VanDerWaalsContact OD1-CG 3.3Å; D197-R199 WeakPolarHBondContact OD1-CG 3.29Å; D197-R199 PolarHBondContact OD1-N 3.17Å; D197-R199 IonicContact OD1-NE 3.81Å; D197-R199 PolarHBondContact OD1-NE 3.49Å; D197-R199 VanDerWaalsContact OD1-NE 3.15Å; D197-R199 IonicContact OD2-CZ 3.15Å; D197-R199 IonicContact OD2-NE 2.58Å; D197-R199 PolarHBondContact OD2-NE 3.37Å; D197-R199 IonicContact OD2-NH2 3.99Å; D197-R199 PolarHBondContact OD2-NH2 3.28Å; D197-L200 HydrophobicContact CB-CD1 4.19Å; D197-L200 HydrophobicContact CB-CG 4.2Å; D197-L200 WeakPolarHBondContact O-CA 3.46Å; D197-L200 WeakPolarHBondContact O-CB 3.41Å; D197-L200 PolarHBondContact O-N 2.92Å; D197-T201 PolarHBondContact O-N 2.87Å; D197-T201 VanDerWaalsContact O-N 3.14Å
198Y88.2Confident90.4Very high116 Ų11642 Ų4246%0.45521%0.207SC..Hα-helixtrans-50.6-28.9175.2176.1-107.7000113.7E196 L200 G202 N204 Q207E196-Y198 PolarHBondContact O-N 3.18Å; Y198-L200 VanDerWaalsContact C-N 3.27Å; Y198-L200 PolarHBondContact O-N 3.03Å; Y198-G202 VanDerWaalsContact CE2-C 3.5Å; Y198-G202 WeakPolarHBondContact CE2-O 3.5Å; Y198-G202 VanDerWaalsContact O-CA 3.32Å; Y198-G202 WeakPolarHBondContact O-CA 3.31Å; Y198-G202 PolarHBondContact O-N 3.21Å; Y198-N204 HydrophobicContact CD2-CB 4.13Å; Y198-Q207 VanDerWaalsContact CE2-OE1 3.24Å; Y198-Q207 PolarHBondContact OH-NE2 2.97Å
199R86.2Confident90.2Very high209 Ų20942 Ų4279%0.78921%0.207SC*.Hα-helixtrans-71.4-20177.2-59.8176.6-66.8172.61.8113.4D197D197-R199 PolarHBondContact O-N 3.05Å; D197-R199 VanDerWaalsContact OD1-CB 3.27Å; D197-R199 WeakPolarHBondContact OD1-CB 3.27Å; D197-R199 VanDerWaalsContact OD1-CG 3.3Å; D197-R199 WeakPolarHBondContact OD1-CG 3.29Å; D197-R199 PolarHBondContact OD1-N 3.17Å; D197-R199 IonicContact OD1-NE 3.81Å; D197-R199 PolarHBondContact OD1-NE 3.49Å; D197-R199 VanDerWaalsContact OD1-NE 3.15Å; D197-R199 IonicContact OD2-CZ 3.15Å; D197-R199 IonicContact OD2-NE 2.58Å; D197-R199 PolarHBondContact OD2-NE 3.37Å; D197-R199 IonicContact OD2-NH2 3.99Å; D197-R199 PolarHBondContact OD2-NH2 3.28Å
200L83.7Confident89.8Confident116 Ų11644.6 Ų44.661%0.60722%0.22SC*.Hα-helixtrans-94.1-47.1174.8-59.7176.5000111T119 D197 Y198T119-L200 HydrophobicContact CG2-CD1 4.42Å; D197-L200 HydrophobicContact CB-CD1 4.19Å; D197-L200 HydrophobicContact CB-CG 4.2Å; D197-L200 WeakPolarHBondContact O-CA 3.46Å; D197-L200 WeakPolarHBondContact O-CB 3.41Å; D197-L200 PolarHBondContact O-N 2.92Å; Y198-L200 VanDerWaalsContact C-N 3.27Å; Y198-L200 PolarHBondContact O-N 3.03Å
201T87.5Confident89.3Confident9 Ų948 Ų486%0.05524%0.236CC..Hα-helixtrans-82.7-23-174.363.30000113.9I118 E196 D197 I203I118-T201 HydrophobicContact CD1-CG2 4.44Å; E196-T201 HydrophobicContact CB-CG2 3.77Å; E196-T201 HydrophobicContact CG-CG2 4.49Å; D197-T201 PolarHBondContact O-N 2.87Å; D197-T201 VanDerWaalsContact O-N 3.14Å; T201-I203 PolarHBondContact O-N 2.95Å; T201-I203 PolarHBondContact OG1-N 3.4Å; T201-I203 PolarHBondContact OG1-O 3.45Å; T201-I203 VanDerWaalsContact OG1-O 3.07Å
202G87.9Confident89Confident50 Ų5049.1 Ų49.152%0.51524%0.243SC..SBendtrans68.44.2-173.300000114.6Y198Y198-G202 VanDerWaalsContact CE2-C 3.5Å; Y198-G202 WeakPolarHBondContact CE2-O 3.5Å; Y198-G202 VanDerWaalsContact O-CA 3.32Å; Y198-G202 WeakPolarHBondContact O-CA 3.31Å; Y198-G202 PolarHBondContact O-N 3.21Å
203I89.9Confident88.6Confident5 Ų549.3 Ų49.33%0.02624%0.244CC..  trans-140.4141-173.9-168.8161.3000112.8L193 T201 Q207 W208L193-I203 HydrophobicContact CD1-CG2 4.32Å; L193-I203 HydrophobicContact CG-CG2 4.22Å; T201-I203 PolarHBondContact O-N 2.95Å; T201-I203 PolarHBondContact OG1-N 3.4Å; T201-I203 PolarHBondContact OG1-O 3.45Å; T201-I203 VanDerWaalsContact OG1-O 3.07Å; I203-Q207 HydrophobicContact CD1-CB 4.43Å; I203-Q207 HydrophobicContact CG1-CB 3.9Å; I203-W208 HydrophobicContact CD1-CB 3.77Å; I203-W208 HydrophobicContact CG1-CB 4.17Å
204N91.2Very high87.8Confident61 Ų6149.3 Ų49.333%0.32624%0.244SC..  trans-118.5164.3168.670.765.9000111.4Y198 K206 Q207 W208Y198-N204 HydrophobicContact CD2-CB 4.13Å; N204-K206 PolarHBondContact O-N 3.13Å; N204-K206 WeakPolarHBondContact OD1-CB 3.22Å; N204-K206 PolarHBondContact OD1-N 3.25Å; N204-Q207 VanDerWaalsContact CG-OE1 3.25Å; N204-Q207 PolarHBondContact ND2-OE1 3.06Å; N204-Q207 WeakPolarHBondContact O-CA 3.17Å; N204-Q207 WeakPolarHBondContact O-CB 3.35Å; N204-Q207 PolarHBondContact O-N 2.93Å; N204-Q207 PolarHBondContact OD1-N 2.84Å; N204-W208 PolarHBondContact O-N 3.36Å
205Y91.3Very high86.6Confident5 Ų551.8 Ų51.82%0.0226%0.259CS..Hα-helixtrans-57.1-29-173.6-168.6-99.8000114.3R191 C194 W208 W209 F249 I252 Q253R191-Y205 HydrophobicContact CG-CD2 4.07Å; R191-Y205 HydrophobicContact CG-CE2 3.6Å; R191-Y205 PolarHBondContact NH2-OH 3.25Å; C194-Y205 HydrophobicContact CB-CD2 4.32Å; C194-Y205 VanDerWaalsContact SG-CA 3.54Å; C194-Y205 PolarHBondContact SG-N 3.42Å; C194-Y205 VanDerWaalsContact SG-N 3.42Å; Y205-W208 AromaticContact CD2-CE3 3.81Å; Y205-W208 HydrophobicContact CD2-CE3 3.81Å; Y205-W208 HydrophobicContact CD2-CZ3 4.2Å; Y205-W208 AromaticContact CE2-CE3 3.63Å; Y205-W208 HydrophobicContact CE2-CE3 3.63Å; Y205-W208 AromaticContact CE2-CZ3 3.53Å; Y205-W208 HydrophobicContact CE2-CZ3 3.53Å; Y205-W208 AromaticContact CZ-CZ3 3.93Å; Y205-W209 HydrophobicContact CE1-CE3 4.25Å; Y205-W209 VanDerWaalsContact O-CB 3.27Å; Y205-W209 WeakPolarHBondContact O-CB 3.31Å; Y205-W209 PolarHBondContact O-N 2.88Å; Y205-F249 HydrophobicContact CD1-CB 4.2Å; Y205-F249 AromaticContact CD1-CD1 3.44Å; Y205-F249 HydrophobicContact CD1-CD1 3.44Å; Y205-F249 VanDerWaalsContact CD1-CD1 3.44Å; Y205-F249 HydrophobicContact CD1-CE1 4.2Å; Y205-F249 HydrophobicContact CD1-CG 4.15Å; Y205-F249 AromaticContact CD2-CD1 3.89Å; Y205-F249 HydrophobicContact CD2-CD1 3.89Å; Y205-F249 AromaticContact CD2-CE1 3.99Å; Y205-F249 HydrophobicContact CD2-CE1 3.99Å; Y205-F249 HydrophobicContact CE1-CB 3.74Å; Y205-F249 AromaticContact CE1-CD1 3.84Å; Y205-F249 HydrophobicContact CE1-CD1 3.84Å; Y205-F249 HydrophobicContact CE1-CG 4.07Å; Y205-F249 HydrophobicContact CE2-CD1 4.24Å; Y205-F249 HydrophobicContact CE2-CG 4.47Å; Y205-F249 AromaticContact CG-CD1 3.46Å; Y205-F249 HydrophobicContact CG-CD1 3.46Å; Y205-F249 VanDerWaalsContact CG-CD1 3.46Å; Y205-F249 AromaticContact CG-CE1 3.73Å; Y205-F249 HydrophobicContact CG-CE1 3.73Å; Y205-F249 HydrophobicContact CG-CG 4.38Å; Y205-I252 HydrophobicContact CD1-CB 4.14Å; Y205-I252 HydrophobicContact CD1-CD1 3.92Å; Y205-I252 HydrophobicContact CD1-CG2 3.9Å; Y205-I252 HydrophobicContact CE1-CB 4.45Å; Y205-I252 HydrophobicContact CE1-CG2 4.28Å; Y205-Q253 HydrophobicContact CE1-CG 4.29Å; Y205-Q253 PolarHBondContact OH-NE2 2.96Å; Y205-Q253 VanDerWaalsContact OH-NE2 3.17Å
206K90.4Very high84.9Confident117 Ų11752.3 Ų52.351%0.50926%0.262SS..Hα-helixtrans-72.5-40.4175.8-169.8-174175.9-177.20111.7N204 M210 I252 T256N204-K206 PolarHBondContact O-N 3.13Å; N204-K206 WeakPolarHBondContact OD1-CB 3.22Å; N204-K206 PolarHBondContact OD1-N 3.25Å; K206-M210 WeakPolarHBondContact O-CB 3.4Å; K206-M210 WeakPolarHBondContact O-CG 3.17Å; K206-M210 PolarHBondContact O-N 3.09Å; K206-M210 VanDerWaalsContact O-N 3.11Å; K206-I252 HydrophobicContact CB-CD1 4.28Å; K206-I252 HydrophobicContact CB-CG1 4.47Å; K206-I252 HydrophobicContact CB-CG2 4.08Å; K206-I252 HydrophobicContact CG-CG2 4.17Å; K206-T256 HydrophobicContact CD-CG2 4.35Å; K206-T256 HydrophobicContact CG-CG2 3.79Å
207Q89Confident83.1Confident62 Ų6255 Ų5529%0.2928%0.276SS..Hα-helixtrans-64.2-50.3172.4-75.9159-4500110.3Y198 I203 N204 W209 M210 E211Y198-Q207 VanDerWaalsContact CE2-OE1 3.24Å; Y198-Q207 PolarHBondContact OH-NE2 2.97Å; I203-Q207 HydrophobicContact CD1-CB 4.43Å; I203-Q207 HydrophobicContact CG1-CB 3.9Å; N204-Q207 VanDerWaalsContact CG-OE1 3.25Å; N204-Q207 PolarHBondContact ND2-OE1 3.06Å; N204-Q207 WeakPolarHBondContact O-CA 3.17Å; N204-Q207 WeakPolarHBondContact O-CB 3.35Å; N204-Q207 PolarHBondContact O-N 2.93Å; N204-Q207 PolarHBondContact OD1-N 2.84Å; Q207-W209 PolarHBondContact O-N 3.4Å; Q207-M210 PolarHBondContact O-N 3.31Å; Q207-M210 VanDerWaalsContact O-N 3.11Å; Q207-E211 WeakPolarHBondContact O-CB 3.4Å; Q207-E211 VanDerWaalsContact O-CG 3.31Å; Q207-E211 WeakPolarHBondContact O-CG 3.47Å; Q207-E211 PolarHBondContact O-N 3.15Å
208W91.1Very high81.3Confident3 Ų360.2 Ų60.21%0.01130%0.303CS..Hα-helixtrans-56-47.4178.7173.170.8000112.9I132 L187 S190 I203 N204 Y205 M210 E211 T212 F213I132-W208 HydrophobicContact CG2-CZ2 3.87Å; L187-W208 HydrophobicContact CD2-CH2 3.99Å; L187-W208 HydrophobicContact CD2-CZ3 4.17Å; S190-W208 WeakPolarHBondContact OG-CH2 3.24Å; S190-W208 WeakPolarHBondContact OG-CZ2 3.4Å; I203-W208 HydrophobicContact CD1-CB 3.77Å; I203-W208 HydrophobicContact CG1-CB 4.17Å; N204-W208 PolarHBondContact O-N 3.36Å; Y205-W208 AromaticContact CD2-CE3 3.81Å; Y205-W208 HydrophobicContact CD2-CE3 3.81Å; Y205-W208 HydrophobicContact CD2-CZ3 4.2Å; Y205-W208 AromaticContact CE2-CE3 3.63Å; Y205-W208 HydrophobicContact CE2-CE3 3.63Å; Y205-W208 AromaticContact CE2-CZ3 3.53Å; Y205-W208 HydrophobicContact CE2-CZ3 3.53Å; Y205-W208 AromaticContact CZ-CZ3 3.93Å; W208-M210 VanDerWaalsContact C-N 3.33Å; W208-M210 PolarHBondContact O-N 2.8Å; W208-E211 PolarHBondContact O-N 3Å; W208-T212 HydrophobicContact CZ2-CG2 4.18Å; W208-T212 PolarHBondContact NE1-OG1 3.41Å; W208-T212 VanDerWaalsContact O-CB 3.26Å; W208-T212 WeakPolarHBondContact O-CB 3.34Å; W208-T212 PolarHBondContact O-N 3.48Å; W208-T212 PolarHBondContact O-OG1 3.49Å; W208-F213 AromaticContact CH2-CE2 3.76Å; W208-F213 HydrophobicContact CH2-CE2 3.76Å; W208-F213 HydrophobicContact CH2-CZ 4.31Å; W208-F213 HydrophobicContact CZ2-CE2 4.14Å; W208-F213 HydrophobicContact CZ3-CE2 4.34Å
209W90.5Very high79.1Confident0 Ų057.3 Ų57.30%030%0.3CS..Hα-helixtrans-61.1-42.7177.3-169.9-85.1000112L187 Y205 Q207 T212 F213 F233 L237 Q253 T256 W324L187-W209 HydrophobicContact CD2-CZ3 3.97Å; Y205-W209 HydrophobicContact CE1-CE3 4.25Å; Y205-W209 VanDerWaalsContact O-CB 3.27Å; Y205-W209 WeakPolarHBondContact O-CB 3.31Å; Y205-W209 PolarHBondContact O-N 2.88Å; Q207-W209 PolarHBondContact O-N 3.4Å; W209-T212 PolarHBondContact O-N 3.4Å; W209-F213 AromaticContact CD2-CD2 3.73Å; W209-F213 HydrophobicContact CD2-CD2 3.73Å; W209-F213 HydrophobicContact CD2-CE2 4.14Å; W209-F213 AromaticContact CE2-CD2 3.83Å; W209-F213 AromaticContact CE3-CD2 3.86Å; W209-F213 HydrophobicContact CE3-CD2 3.86Å; W209-F213 AromaticContact CE3-CE2 3.76Å; W209-F213 HydrophobicContact CE3-CE2 3.76Å; W209-F213 HydrophobicContact CG-CD2 4.19Å; W209-F213 HydrophobicContact CH2-CD2 4.17Å; W209-F213 HydrophobicContact CH2-CE2 4.05Å; W209-F213 HydrophobicContact CZ2-CD2 4.07Å; W209-F213 HydrophobicContact CZ2-CE2 4.41Å; W209-F213 HydrophobicContact CZ3-CD2 4.06Å; W209-F213 AromaticContact CZ3-CE2 3.7Å; W209-F213 HydrophobicContact CZ3-CE2 3.7Å; W209-F213 PolarHBondContact O-N 2.87Å; W209-F233 HydrophobicContact CH2-CE1 4.45Å; W209-F233 AromaticContact CH2-CZ 3.71Å; W209-F233 HydrophobicContact CH2-CZ 3.71Å; W209-F233 HydrophobicContact CZ2-CE1 4.3Å; W209-F233 AromaticContact CZ2-CZ 3.99Å; W209-F233 HydrophobicContact CZ2-CZ 3.99Å; W209-L237 HydrophobicContact CH2-CD1 4.31Å; W209-L237 HydrophobicContact CH2-CD2 4.24Å; W209-Q253 HydrophobicContact CD2-CG 4.05Å; W209-Q253 HydrophobicContact CE3-CG 3.88Å; W209-Q253 HydrophobicContact CH2-CB 4.42Å; W209-Q253 HydrophobicContact CH2-CG 3.66Å; W209-Q253 HydrophobicContact CZ2-CB 4.16Å; W209-Q253 HydrophobicContact CZ2-CG 3.81Å; W209-Q253 HydrophobicContact CZ3-CG 3.7Å; W209-T256 PolarHBondContact NE1-O 3.05Å; W209-T256 PolarHBondContact NE1-OG1 3.28Å; W209-W324 HydrophobicContact CZ2-CH2 4.15Å
210M86.4Confident77.2Confident55 Ų5553 Ų5327%0.27130%0.297SS..Iπ-helixtrans-66.3-44.9178.1-72.2-70.5-56.500112.2K206 Q207 W208 T212 C214 T215 T256K206-M210 WeakPolarHBondContact O-CB 3.4Å; K206-M210 WeakPolarHBondContact O-CG 3.17Å; K206-M210 PolarHBondContact O-N 3.09Å; K206-M210 VanDerWaalsContact O-N 3.11Å; Q207-M210 PolarHBondContact O-N 3.31Å; Q207-M210 VanDerWaalsContact O-N 3.11Å; W208-M210 VanDerWaalsContact C-N 3.33Å; W208-M210 PolarHBondContact O-N 2.8Å; M210-T212 VanDerWaalsContact C-N 3.32Å; M210-T212 PolarHBondContact O-N 2.88Å; M210-C214 HydrophobicContact CB-CB 4.37Å; M210-C214 HydrophobicContact CE-CB 3.69Å; M210-C214 CarbonylContact O-C 3.59Å; M210-C214 WeakPolarHBondContact O-CA 3.31Å; M210-C214 WeakPolarHBondContact O-CB 3.37Å; M210-C214 PolarHBondContact O-N 2.93Å; M210-C214 HydrophobicContact SD-CB 3.62Å; M210-C214 VanDerWaalsContact SD-SG 3.61Å; M210-T215 PolarHBondContact O-N 3.21Å; M210-T215 PolarHBondContact O-OG1 2.97Å; M210-T215 VanDerWaalsContact O-OG1 3.12Å; M210-T256 HydrophobicContact CG-CG2 4Å; M210-T256 HydrophobicContact SD-CG2 3.68Å
211E84.4Confident75.9Confident72 Ų7252.1 Ų52.134%0.33629%0.289SS..Iπ-helixtrans-61.5-38176.9-73.9169-147.500112.2K129 Q207 W208 T215K129-E211 IonicContact NZ-OE1 3.9Å; K129-E211 IonicContact NZ-OE2 3.84Å; K129-E211 PolarHBondContact NZ-OE2 3.49Å; Q207-E211 WeakPolarHBondContact O-CB 3.4Å; Q207-E211 VanDerWaalsContact O-CG 3.31Å; Q207-E211 WeakPolarHBondContact O-CG 3.47Å; Q207-E211 PolarHBondContact O-N 3.15Å; W208-E211 PolarHBondContact O-N 3Å; E211-T215 WeakPolarHBondContact CA-OG1 3.44Å; E211-T215 PolarHBondContact O-OG1 2.74Å; E211-T215 VanDerWaalsContact O-OG1 3.08Å
212T85.8Confident74.9Confident24 Ų2453.9 Ų53.915%0.14730%0.298CS..Iπ-helixtrans-86.8-37.6-171.9-52.90000113.3L136 W208 W209 M210L136-T212 HydrophobicContact CD1-CG2 3.41Å; L136-T212 VanDerWaalsContact CD1-CG2 3.41Å; W208-T212 HydrophobicContact CZ2-CG2 4.18Å; W208-T212 PolarHBondContact NE1-OG1 3.41Å; W208-T212 VanDerWaalsContact O-CB 3.26Å; W208-T212 WeakPolarHBondContact O-CB 3.34Å; W208-T212 PolarHBondContact O-N 3.48Å; W208-T212 PolarHBondContact O-OG1 3.49Å; W209-T212 PolarHBondContact O-N 3.4Å; M210-T212 VanDerWaalsContact C-N 3.32Å; M210-T212 PolarHBondContact O-N 2.88Å
213F85.1Confident74.3Confident6 Ų651.7 Ų51.73%0.02628%0.275CS..Iπ-helixtrans-123.3-15.3-171.2-55.6-67.8000114.7L136 W208 W209 V223 L224 F233 P258L136-F213 HydrophobicContact CD1-CE1 4.42Å; L136-F213 HydrophobicContact CD1-CZ 4.21Å; L136-F213 HydrophobicContact CD2-CE1 4.1Å; L136-F213 HydrophobicContact CD2-CZ 4.06Å; W208-F213 AromaticContact CH2-CE2 3.76Å; W208-F213 HydrophobicContact CH2-CE2 3.76Å; W208-F213 HydrophobicContact CH2-CZ 4.31Å; W208-F213 HydrophobicContact CZ2-CE2 4.14Å; W208-F213 HydrophobicContact CZ3-CE2 4.34Å; W209-F213 AromaticContact CD2-CD2 3.73Å; W209-F213 HydrophobicContact CD2-CD2 3.73Å; W209-F213 HydrophobicContact CD2-CE2 4.14Å; W209-F213 AromaticContact CE2-CD2 3.83Å; W209-F213 AromaticContact CE3-CD2 3.86Å; W209-F213 HydrophobicContact CE3-CD2 3.86Å; W209-F213 AromaticContact CE3-CE2 3.76Å; W209-F213 HydrophobicContact CE3-CE2 3.76Å; W209-F213 HydrophobicContact CG-CD2 4.19Å; W209-F213 HydrophobicContact CH2-CD2 4.17Å; W209-F213 HydrophobicContact CH2-CE2 4.05Å; W209-F213 HydrophobicContact CZ2-CD2 4.07Å; W209-F213 HydrophobicContact CZ2-CE2 4.41Å; W209-F213 HydrophobicContact CZ3-CD2 4.06Å; W209-F213 AromaticContact CZ3-CE2 3.7Å; W209-F213 HydrophobicContact CZ3-CE2 3.7Å; W209-F213 PolarHBondContact O-N 2.87Å; F213-V223 HydrophobicContact CE1-CG1 4.33Å; F213-L224 HydrophobicContact CD1-CD1 3.98Å; F213-L224 HydrophobicContact CD1-CG 4.36Å; F213-F233 AromaticContact CD1-CE1 3.8Å; F213-F233 HydrophobicContact CD1-CE1 3.8Å; F213-F233 HydrophobicContact CD1-CE2 4.46Å; F213-F233 AromaticContact CD1-CZ 3.67Å; F213-F233 HydrophobicContact CD1-CZ 3.67Å; F213-F233 HydrophobicContact CD2-CZ 4.16Å; F213-F233 HydrophobicContact CE1-CE1 4.04Å; F213-F233 AromaticContact CE1-CE2 3.86Å; F213-F233 HydrophobicContact CE1-CE2 3.86Å; F213-F233 AromaticContact CE1-CZ 3.46Å; F213-F233 HydrophobicContact CE1-CZ 3.46Å; F213-F233 VanDerWaalsContact CE1-CZ 3.46Å; F213-F233 AromaticContact CE2-CZ 3.98Å; F213-F233 HydrophobicContact CE2-CZ 3.98Å; F213-F233 HydrophobicContact CG-CE1 4.11Å; F213-F233 HydrophobicContact CG-CZ 4.02Å; F213-F233 AromaticContact CZ-CE2 3.99Å; F213-F233 HydrophobicContact CZ-CE2 3.99Å; F213-F233 AromaticContact CZ-CZ 3.63Å; F213-F233 HydrophobicContact CZ-CZ 3.63Å; F213-P258 WeakPolarHBondContact O-CB 3.48Å
214C76.8Confident73.8Confident1 Ų152 Ų521%0.00728%0.277CS..Iπ-helixtrans-111.7-40.9-171.1-50.90000114.1M210 R257 N259 W260M210-C214 HydrophobicContact CB-CB 4.37Å; M210-C214 HydrophobicContact CE-CB 3.69Å; M210-C214 CarbonylContact O-C 3.59Å; M210-C214 WeakPolarHBondContact O-CA 3.31Å; M210-C214 WeakPolarHBondContact O-CB 3.37Å; M210-C214 PolarHBondContact O-N 2.93Å; M210-C214 HydrophobicContact SD-CB 3.62Å; M210-C214 VanDerWaalsContact SD-SG 3.61Å; C214-R257 PolarHBondContact SG-O 3.46Å; C214-R257 VanDerWaalsContact SG-O 3.4Å; C214-N259 HydrophobicContact CB-CB 4.43Å; C214-N259 CarbonylContact O-C 3.5Å; C214-N259 WeakPolarHBondContact O-CA 3.44Å; C214-N259 VanDerWaalsContact O-CB 3.25Å; C214-N259 WeakPolarHBondContact O-CB 3.44Å; C214-N259 PolarHBondContact O-N 3.35Å; C214-W260 PolarHBondContact O-N 2.73Å
215T67.3Low72.6Confident67 Ų6753.1 Ų53.141%0.41129%0.286SS..SBendtrans-77.2123.917244.30000109.9M210 E211 L217M210-T215 PolarHBondContact O-N 3.21Å; M210-T215 PolarHBondContact O-OG1 2.97Å; M210-T215 VanDerWaalsContact O-OG1 3.12Å; E211-T215 WeakPolarHBondContact CA-OG1 3.44Å; E211-T215 PolarHBondContact O-OG1 2.74Å; E211-T215 VanDerWaalsContact O-OG1 3.08Å; T215-L217 PolarHBondContact O-N 3.08Å
216P55.2Low71.6Confident47 Ų4754.1 Ų54.131%0.30529%0.293SS..  trans-69.711316426.1-24.7000107.9N222 W260 S263P216-N222 VanDerWaalsContact CA-OD1 3.29Å; P216-N222 WeakPolarHBondContact CA-OD1 3.21Å; P216-W260 HydrophobicContact CB-CB 4.31Å; P216-S263 WeakPolarHBondContact CG-OG 3.24Å
217L51.7Low70.7Confident70 Ų7053 Ų5337%0.36629%0.286SS..  trans-63.4139.6171-70.6156.4000108.4T215 S219 Q221 N222T215-L217 PolarHBondContact O-N 3.08Å; L217-S219 PolarHBondContact O-N 3.12Å; L217-Q221 HydrophobicContact CD1-CB 4.41Å; L217-Q221 VanDerWaalsContact CD1-O 3.28Å; L217-Q221 WeakPolarHBondContact CD1-O 3.18Å; L217-N222 PolarHBondContact N-OD1 3.11Å; L217-N222 PolarHBondContact O-ND2 3.44Å
218L46.9Very low70Confident170 Ų17053.6 Ų53.689%0.8930%0.297SS*.SBendtrans-77.421.9-179.9-82.9153.7000113
219S43.4Very low69.4Low55 Ų5553.7 Ų53.739%0.38530%0.299SS..SBendtrans-141.2173-174.763.20000111L217 Q221 N222L217-S219 PolarHBondContact O-N 3.12Å; S219-Q221 PolarHBondContact O-N 3.47Å; S219-N222 PolarHBondContact O-ND2 2.95Å
220T45.5Very low68.8Low118 Ų11853.9 Ų53.972%0.72430%0.3SS*.THydrogen-bonded Turntrans-67.724.9179.748.20000114.6M297T220-M297 HydrophobicContact CG2-CE 4.46Å
221Q56.8Low68.7Low98 Ų9854.1 Ų54.146%0.45830%0.3SS..THydrogen-bonded Turntrans-121.619.4-170.3-67.9174.8-9.400112.7H133 L217 S219 V223H133-Q221 PolarHBondContact CE1-O 3.4Å; L217-Q221 HydrophobicContact CD1-CB 4.41Å; L217-Q221 VanDerWaalsContact CD1-O 3.28Å; L217-Q221 WeakPolarHBondContact CD1-O 3.18Å; S219-Q221 PolarHBondContact O-N 3.47Å; Q221-V223 PolarHBondContact O-N 3.11Å
222N66.4Low68.8Low45 Ų4552.9 Ų52.924%0.24129%0.292CS..  trans-70.3119.5168.1-73.9-67.6000109.7P216 L217 S219 L224 T225P216-N222 VanDerWaalsContact CA-OD1 3.29Å; P216-N222 WeakPolarHBondContact CA-OD1 3.21Å; L217-N222 PolarHBondContact N-OD1 3.11Å; L217-N222 PolarHBondContact O-ND2 3.44Å; S219-N222 PolarHBondContact O-ND2 2.95Å; N222-L224 VanDerWaalsContact C-N 3.31Å; N222-L224 PolarHBondContact O-N 2.8Å; N222-T225 WeakPolarHBondContact O-CG2 3.32Å
223V76.1Confident68.9Low5 Ų551.8 Ų51.83%0.0329%0.285CS..SBendtrans-66.8-32.6-177.9171.30000112.5L136 F140 F213 Q221L136-V223 HydrophobicContact CB-CG1 3.79Å; L136-V223 HydrophobicContact CB-CG2 4.05Å; L136-V223 HydrophobicContact CD1-CG1 4.44Å; L136-V223 HydrophobicContact CD1-CG2 4.32Å; L136-V223 HydrophobicContact CD2-CG1 4.17Å; L136-V223 HydrophobicContact CG-CG1 4.36Å; F140-V223 HydrophobicContact CD2-CG1 3.43Å; F140-V223 VanDerWaalsContact CD2-CG1 3.43Å; F140-V223 HydrophobicContact CE2-CG1 3.55Å; F213-V223 HydrophobicContact CE1-CG1 4.33Å; Q221-V223 PolarHBondContact O-N 3.11Å
224L77.5Confident69.1Low11 Ų1151.5 Ų51.56%0.05828%0.284CS..  trans-109.875.7-179-62.3178.2000109.8F140 F213 N222 A229 V230 F233F140-L224 HydrophobicContact CD1-CD2 4.29Å; F140-L224 HydrophobicContact CD2-CD2 4.37Å; F140-L224 HydrophobicContact CE1-CD2 3.91Å; F140-L224 HydrophobicContact CE2-CD2 4Å; F140-L224 HydrophobicContact CZ-CD2 3.76Å; F213-L224 HydrophobicContact CD1-CD1 3.98Å; F213-L224 HydrophobicContact CD1-CG 4.36Å; N222-L224 VanDerWaalsContact C-N 3.31Å; N222-L224 PolarHBondContact O-N 2.8Å; L224-A229 HydrophobicContact CD2-CB 4.32Å; L224-V230 HydrophobicContact CB-CG2 3.94Å; L224-V230 HydrophobicContact CD1-CG2 4.46Å; L224-F233 HydrophobicContact CD1-CD1 3.72Å; L224-F233 HydrophobicContact CD1-CE1 4.04Å; L224-F233 HydrophobicContact CD1-CG 4.5Å; L224-F233 HydrophobicContact CD2-CB 3.97Å; L224-F233 HydrophobicContact CD2-CD1 4.23Å; L224-F233 HydrophobicContact CD2-CG 4.2Å
225T67.6Low69.7Low84 Ų8453.9 Ų53.952%0.51530%0.297SS..  trans-74.6-31.7-17854.30000113.7N222N222-T225 WeakPolarHBondContact O-CG2 3.32Å
226S69Low70.8Confident26 Ų2650.7 Ų50.718%0.18228%0.277CS..SBendtrans-131.3162.8-163.271.70000114.2S228 A229 V230 Y316S226-S228 VanDerWaalsContact C-N 3.3Å; S226-S228 PolarHBondContact O-N 3.39Å; S226-S228 PolarHBondContact OG-OG 3.27Å; S226-A229 PolarHBondContact O-N 3.1Å; S226-A229 WeakPolarHBondContact OG-CB 3.41Å; S226-A229 PolarHBondContact OG-N 3.01Å; S226-A229 VanDerWaalsContact OG-N 3.11Å; S226-V230 WeakPolarHBondContact O-CG2 3.49Å; S226-V230 PolarHBondContact O-N 2.73Å; S226-V230 VanDerWaalsContact O-N 3.12Å; S226-Y316 VanDerWaalsContact C-OH 3.29Å
227R71.8Confident72.6Confident94 Ų9448.6 Ų48.636%0.35526%0.263SS..Hα-helixtrans-58.4-41173.2177.1170.4-178.3169.81.8112V230 F231 Y316 S319R227-V230 PolarHBondContact O-N 3.32Å; R227-F231 HydrophobicContact CG-CD2 3.9Å; R227-F231 HydrophobicContact CG-CE2 3.94Å; R227-F231 WeakPolarHBondContact O-CB 3.46Å; R227-F231 VanDerWaalsContact O-CD2 3.29Å; R227-F231 WeakPolarHBondContact O-CD2 3.47Å; R227-F231 PolarHBondContact O-N 2.71Å; R227-Y316 HydrophobicContact CB-CD2 4.02Å; R227-Y316 HydrophobicContact CB-CE2 3.51Å; R227-Y316 PolarHBondContact N-OH 2.79Å; R227-S319 VanDerWaalsContact NH2-CB 3.28Å; R227-S319 PolarHBondContact NH2-OG 2.9Å; R227-S319 VanDerWaalsContact NH2-OG 3.08Å
228S74.1Confident74.5Confident74 Ų7446.9 Ų46.952%0.51725%0.254SS..Hα-helixtrans-63.5-49.2177.647.40000111.3S226 V230 F231 Y232S226-S228 VanDerWaalsContact C-N 3.3Å; S226-S228 PolarHBondContact O-N 3.39Å; S226-S228 PolarHBondContact OG-OG 3.27Å; S228-V230 PolarHBondContact O-N 3.21Å; S228-F231 PolarHBondContact O-N 2.8Å; S228-Y232 WeakPolarHBondContact O-CB 3.42Å; S228-Y232 PolarHBondContact O-N 2.95Å
229A78.4Confident76.4Confident6 Ų642.1 Ų42.15%0.0523%0.227CC..Hα-helixtrans-56.7-38.517700000112.5F140 L224 S226 F233F140-A229 HydrophobicContact CB-CB 4.38Å; F140-A229 HydrophobicContact CD1-CB 3.78Å; F140-A229 HydrophobicContact CE1-CB 4.49Å; F140-A229 WeakPolarHBondContact CE1-O 3.48Å; F140-A229 HydrophobicContact CG-CB 4.29Å; L224-A229 HydrophobicContact CD2-CB 4.32Å; S226-A229 PolarHBondContact O-N 3.1Å; S226-A229 WeakPolarHBondContact OG-CB 3.41Å; S226-A229 PolarHBondContact OG-N 3.01Å; S226-A229 VanDerWaalsContact OG-N 3.11Å; A229-F233 VanDerWaalsContact O-CB 3.3Å; A229-F233 WeakPolarHBondContact O-CB 3.4Å; A229-F233 PolarHBondContact O-N 3.44Å
230V79.5Confident78.7Confident4 Ų439.7 Ų39.72%0.02421%0.21CC..Hα-helixtrans-74.7-44.4-178.71740000112.2L224 S226 R227 S228 Y232 F233 C234 W260 C320L224-V230 HydrophobicContact CB-CG2 3.94Å; L224-V230 HydrophobicContact CD1-CG2 4.46Å; S226-V230 WeakPolarHBondContact O-CG2 3.49Å; S226-V230 PolarHBondContact O-N 2.73Å; S226-V230 VanDerWaalsContact O-N 3.12Å; R227-V230 PolarHBondContact O-N 3.32Å; S228-V230 PolarHBondContact O-N 3.21Å; V230-Y232 VanDerWaalsContact C-N 3.29Å; V230-Y232 PolarHBondContact O-N 3.22Å; V230-F233 PolarHBondContact O-N 3.38Å; V230-C234 PolarHBondContact O-N 3.36Å; V230-C234 PolarHBondContact O-SG 2.98Å; V230-W260 HydrophobicContact CB-CZ2 4.15Å; V230-W260 HydrophobicContact CG1-CZ2 3.99Å; V230-W260 HydrophobicContact CG2-CH2 3.69Å; V230-W260 HydrophobicContact CG2-CZ2 3.21Å; V230-C320 HydrophobicContact CG1-CB 4.2Å
231F83.6Confident80.9Confident60 Ų6034.6 Ų34.626%0.26318%0.178SC..Hα-helixtrans-62.3-40.4173.3-88.6-115.6000110.7R227 S228 C234 N235 S319 C320 R323R227-F231 HydrophobicContact CG-CD2 3.9Å; R227-F231 HydrophobicContact CG-CE2 3.94Å; R227-F231 WeakPolarHBondContact O-CB 3.46Å; R227-F231 VanDerWaalsContact O-CD2 3.29Å; R227-F231 WeakPolarHBondContact O-CD2 3.47Å; R227-F231 PolarHBondContact O-N 2.71Å; S228-F231 PolarHBondContact O-N 2.8Å; F231-C234 PolarHBondContact O-N 3.03Å; F231-N235 PolarHBondContact O-N 3.36Å; F231-N235 PolarHBondContact O-OD1 3.17Å; F231-S319 WeakPolarHBondContact CZ-O 3.37Å; F231-C320 HydrophobicContact CE2-CB 4.49Å; F231-R323 HydrophobicContact CD1-CB 4.13Å; F231-R323 HydrophobicContact CD1-CG 3.71Å; F231-R323 HydrophobicContact CD2-CB 4.19Å; F231-R323 HydrophobicContact CD2-CG 4.29Å; F231-R323 HydrophobicContact CE1-CB 3.81Å; F231-R323 HydrophobicContact CE1-CG 3.85Å; F231-R323 HydrophobicContact CE2-CB 3.89Å; F231-R323 HydrophobicContact CE2-CG 4.43Å; F231-R323 HydrophobicContact CG-CB 4.31Å; F231-R323 HydrophobicContact CG-CG 3.94Å; F231-R323 HydrophobicContact CZ-CB 3.68Å; F231-R323 HydrophobicContact CZ-CG 4.21Å
232Y85.9Confident82.3Confident45 Ų4533.7 Ų33.718%0.17618%0.181CC..Hα-helixtrans-64-47.1176.7-169.5-117.3000112.2L139 F140 D179 S228 V230 C234 N235 L236L139-Y232 HydrophobicContact CD1-CE1 4.43Å; F140-Y232 HydrophobicContact CD1-CD1 4.27Å; F140-Y232 HydrophobicContact CE1-CD1 4.08Å; D179-Y232 WeakPolarHBondContact CB-OH 3.07Å; D179-Y232 PolarHBondContact OD2-OH 2.98Å; S228-Y232 WeakPolarHBondContact O-CB 3.42Å; S228-Y232 PolarHBondContact O-N 2.95Å; V230-Y232 VanDerWaalsContact C-N 3.29Å; V230-Y232 PolarHBondContact O-N 3.22Å; Y232-C234 VanDerWaalsContact C-N 3.32Å; Y232-C234 PolarHBondContact O-N 2.85Å; Y232-N235 WeakPolarHBondContact O-CB 3.27Å; Y232-N235 PolarHBondContact O-N 3.18Å; Y232-L236 HydrophobicContact CD1-CD1 3.95Å; Y232-L236 HydrophobicContact CD1-CG 4.45Å; Y232-L236 HydrophobicContact CE1-CD1 3.52Å; Y232-L236 HydrophobicContact CE1-CG 4.12Å; Y232-L236 HydrophobicContact CE2-CD2 4.48Å; Y232-L236 HydrophobicContact CE2-CG 4.43Å; Y232-L236 PolarHBondContact O-N 3.47Å
233F89Confident83.4Confident1 Ų135.9 Ų35.90%0.00419%0.186CC..Hα-helixtrans-58-43.3174-176.6-133.7000112F140 L183 W209 F213 L224 A229 V230 N235 L237 W324F140-F233 HydrophobicContact CE1-CB 3.84Å; F140-F233 HydrophobicContact CZ-CB 3.81Å; F140-F233 AromaticContact CZ-CD2 3.82Å; F140-F233 HydrophobicContact CZ-CD2 3.82Å; F140-F233 HydrophobicContact CZ-CG 4.06Å; L183-F233 HydrophobicContact CD1-CE2 4.23Å; W209-F233 HydrophobicContact CH2-CE1 4.45Å; W209-F233 AromaticContact CH2-CZ 3.71Å; W209-F233 HydrophobicContact CH2-CZ 3.71Å; W209-F233 HydrophobicContact CZ2-CE1 4.3Å; W209-F233 AromaticContact CZ2-CZ 3.99Å; W209-F233 HydrophobicContact CZ2-CZ 3.99Å; F213-F233 AromaticContact CD1-CE1 3.8Å; F213-F233 HydrophobicContact CD1-CE1 3.8Å; F213-F233 HydrophobicContact CD1-CE2 4.46Å; F213-F233 AromaticContact CD1-CZ 3.67Å; F213-F233 HydrophobicContact CD1-CZ 3.67Å; F213-F233 HydrophobicContact CD2-CZ 4.16Å; F213-F233 HydrophobicContact CE1-CE1 4.04Å; F213-F233 AromaticContact CE1-CE2 3.86Å; F213-F233 HydrophobicContact CE1-CE2 3.86Å; F213-F233 AromaticContact CE1-CZ 3.46Å; F213-F233 HydrophobicContact CE1-CZ 3.46Å; F213-F233 VanDerWaalsContact CE1-CZ 3.46Å; F213-F233 AromaticContact CE2-CZ 3.98Å; F213-F233 HydrophobicContact CE2-CZ 3.98Å; F213-F233 HydrophobicContact CG-CE1 4.11Å; F213-F233 HydrophobicContact CG-CZ 4.02Å; F213-F233 AromaticContact CZ-CE2 3.99Å; F213-F233 HydrophobicContact CZ-CE2 3.99Å; F213-F233 AromaticContact CZ-CZ 3.63Å; F213-F233 HydrophobicContact CZ-CZ 3.63Å; L224-F233 HydrophobicContact CD1-CD1 3.72Å; L224-F233 HydrophobicContact CD1-CE1 4.04Å; L224-F233 HydrophobicContact CD1-CG 4.5Å; L224-F233 HydrophobicContact CD2-CB 3.97Å; L224-F233 HydrophobicContact CD2-CD1 4.23Å; L224-F233 HydrophobicContact CD2-CG 4.2Å; A229-F233 VanDerWaalsContact O-CB 3.3Å; A229-F233 WeakPolarHBondContact O-CB 3.4Å; A229-F233 PolarHBondContact O-N 3.44Å; V230-F233 PolarHBondContact O-N 3.38Å; F233-N235 VanDerWaalsContact C-N 3.33Å; F233-N235 PolarHBondContact O-N 3.28Å; F233-L237 HydrophobicContact CD1-CD1 4.01Å; F233-L237 HydrophobicContact CD2-CD1 4.09Å; F233-L237 HydrophobicContact CD2-CG 4.09Å; F233-L237 HydrophobicContact CE1-CD1 3.74Å; F233-L237 HydrophobicContact CE2-CD1 3.83Å; F233-L237 HydrophobicContact CE2-CD2 4.17Å; F233-L237 HydrophobicContact CE2-CG 3.94Å; F233-L237 HydrophobicContact CG-CD1 4.2Å; F233-L237 HydrophobicContact CZ-CD1 3.67Å; F233-L237 HydrophobicContact CZ-CD2 4.49Å; F233-L237 HydrophobicContact CZ-CG 4.27Å; F233-L237 WeakPolarHBondContact O-CB 3.43Å; F233-L237 VanDerWaalsContact O-CG 3.24Å; F233-L237 WeakPolarHBondContact O-CG 3.28Å; F233-L237 PolarHBondContact O-N 3.07Å; F233-W324 HydrophobicContact CD1-CZ3 4.39Å; F233-W324 HydrophobicContact CE1-CZ3 4.17Å
234C88.7Confident84Confident0 Ų035.8 Ų35.80%019%0.185CC..Hα-helixtrans-63.2-37.8175.1-64.10000112.1V230 F231 Y232 I238 R323V230-C234 PolarHBondContact O-N 3.36Å; V230-C234 PolarHBondContact O-SG 2.98Å; F231-C234 PolarHBondContact O-N 3.03Å; Y232-C234 VanDerWaalsContact C-N 3.32Å; Y232-C234 PolarHBondContact O-N 2.85Å; C234-I238 WeakPolarHBondContact O-CB 3.42Å; C234-I238 WeakPolarHBondContact O-CD1 3.45Å; C234-I238 WeakPolarHBondContact O-CG1 3.46Å; C234-I238 PolarHBondContact O-N 2.97Å; C234-R323 HydrophobicContact CB-CG 3.87Å
235N89Confident84.5Confident51 Ų5138.4 Ų38.427%0.27320%0.198SC..Hα-helixtrans-65.3-52.8176.6-64.7-10.9000111.4F231 Y232 F233 L237 I238 E239 R323F231-N235 PolarHBondContact O-N 3.36Å; F231-N235 PolarHBondContact O-OD1 3.17Å; Y232-N235 WeakPolarHBondContact O-CB 3.27Å; Y232-N235 PolarHBondContact O-N 3.18Å; F233-N235 VanDerWaalsContact C-N 3.33Å; F233-N235 PolarHBondContact O-N 3.28Å; N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 3.32Å; N235-I238 WeakPolarHBondContact O-CB 3.39Å; N235-I238 PolarHBondContact O-N 2.84Å; N235-E239 WeakPolarHBondContact O-CG 3.1Å; N235-E239 PolarHBondContact O-N 3.04Å; N235-R323 PolarHBondContact OD1-NE 2.88Å; N235-R323 PolarHBondContact OD1-NH2 3.24Å
236L91Very high85.4Confident1 Ų136.1 Ų36.11%0.00518%0.183CC..Hα-helixtrans-58.2-39.9177.6-66.8177.9000111.9L139 L183 Y232 E239 L240L139-L236 HydrophobicContact CD1-CD1 4.11Å; L139-L236 HydrophobicContact CD2-CD1 4.15Å; L139-L236 HydrophobicContact CG-CD1 4.42Å; L183-L236 HydrophobicContact CD2-CB 3.51Å; L183-L236 HydrophobicContact CD2-CD1 4.17Å; L183-L236 HydrophobicContact CD2-CG 4.5Å; Y232-L236 HydrophobicContact CD1-CD1 3.95Å; Y232-L236 HydrophobicContact CD1-CG 4.45Å; Y232-L236 HydrophobicContact CE1-CD1 3.52Å; Y232-L236 HydrophobicContact CE1-CG 4.12Å; Y232-L236 HydrophobicContact CE2-CD2 4.48Å; Y232-L236 HydrophobicContact CE2-CG 4.43Å; Y232-L236 PolarHBondContact O-N 3.47Å; L236-E239 PolarHBondContact O-N 2.96Å; L236-L240 VanDerWaalsContact O-CB 3.31Å; L236-L240 WeakPolarHBondContact O-CB 3.37Å; L236-L240 PolarHBondContact O-N 3.48Å
237L92.6Very high86.2Confident3 Ų337.5 Ų37.52%0.01619%0.188CC..Hα-helixtrans-65.5-37.3174.7-74.6176.4000112.9L183 W209 F233 N235 L240 L241 W324 Y327L183-L237 HydrophobicContact CD2-CD2 4.3Å; W209-L237 HydrophobicContact CH2-CD1 4.31Å; W209-L237 HydrophobicContact CH2-CD2 4.24Å; F233-L237 HydrophobicContact CD1-CD1 4.01Å; F233-L237 HydrophobicContact CD2-CD1 4.09Å; F233-L237 HydrophobicContact CD2-CG 4.09Å; F233-L237 HydrophobicContact CE1-CD1 3.74Å; F233-L237 HydrophobicContact CE2-CD1 3.83Å; F233-L237 HydrophobicContact CE2-CD2 4.17Å; F233-L237 HydrophobicContact CE2-CG 3.94Å; F233-L237 HydrophobicContact CG-CD1 4.2Å; F233-L237 HydrophobicContact CZ-CD1 3.67Å; F233-L237 HydrophobicContact CZ-CD2 4.49Å; F233-L237 HydrophobicContact CZ-CG 4.27Å; F233-L237 WeakPolarHBondContact O-CB 3.43Å; F233-L237 VanDerWaalsContact O-CG 3.24Å; F233-L237 WeakPolarHBondContact O-CG 3.28Å; F233-L237 PolarHBondContact O-N 3.07Å; N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 3.32Å; L237-L240 PolarHBondContact O-N 3.05Å; L237-L241 WeakPolarHBondContact O-CG 3.23Å; L237-L241 PolarHBondContact O-N 2.9Å; L237-W324 HydrophobicContact CD1-CH2 4.42Å; L237-W324 HydrophobicContact CD1-CZ3 4.13Å; L237-Y327 HydrophobicContact CB-CD2 3.83Å; L237-Y327 HydrophobicContact CB-CE2 3.6Å; L237-Y327 HydrophobicContact CB-CG 4.48Å; L237-Y327 HydrophobicContact CD1-CD1 4.43Å; L237-Y327 HydrophobicContact CD1-CE1 4.06Å; L237-Y327 HydrophobicContact CD1-CE2 4.35Å; L237-Y327 HydrophobicContact CG-CE2 4.5Å
238I90.8Very high87Confident34 Ų3439.8 Ų39.817%0.17420%0.201CC..Hα-helixtrans-66.2-43.5174.9-72.6163.5000110.7C234 N235 L240 L241 Y327 I330C234-I238 WeakPolarHBondContact O-CB 3.42Å; C234-I238 WeakPolarHBondContact O-CD1 3.45Å; C234-I238 WeakPolarHBondContact O-CG1 3.46Å; C234-I238 PolarHBondContact O-N 2.97Å; N235-I238 WeakPolarHBondContact O-CB 3.39Å; N235-I238 PolarHBondContact O-N 2.84Å; I238-L240 PolarHBondContact O-N 3.37Å; I238-L241 WeakPolarHBondContact O-CB 3.33Å; I238-L241 PolarHBondContact O-N 3.39Å; I238-Y327 HydrophobicContact CG1-CD2 3.93Å; I238-Y327 HydrophobicContact CG1-CG 4.48Å; I238-I330 HydrophobicContact CD1-CD1 3.88Å; I238-I330 HydrophobicContact CG1-CD1 4.06Å; I238-I330 HydrophobicContact CG2-CD1 4.1Å
239E88.7Confident87.8Confident69 Ų6936.8 Ų36.832%0.32218%0.178SC..Hα-helixtrans-67.6-23.4178-69.3169.6-153.200112.7S175 Q180 N235 L236 P242S175-E239 WeakPolarHBondContact CB-OE2 3.27Å; S175-E239 PolarHBondContact OG-OE2 2.66Å; Q180-E239 PolarHBondContact NE2-O 2.9Å; N235-E239 WeakPolarHBondContact O-CG 3.1Å; N235-E239 PolarHBondContact O-N 3.04Å; L236-E239 PolarHBondContact O-N 2.96Å; E239-P242 WeakPolarHBondContact O-CD 3.42Å
240L91.3Very high88.4Confident5 Ų536.5 Ų36.53%0.02618%0.176CC..Hα-helixtrans-78.7-24.7175-175.857.7000114F59 I184 L187 L236 L237 I238 W243 E244F59-L240 HydrophobicContact CD1-CD1 3.94Å; F59-L240 HydrophobicContact CE1-CD1 3.56Å; F59-L240 HydrophobicContact CE1-CD2 4.19Å; F59-L240 HydrophobicContact CE1-CG 3.87Å; F59-L240 HydrophobicContact CE2-CD2 4.44Å; F59-L240 HydrophobicContact CZ-CD1 3.9Å; F59-L240 HydrophobicContact CZ-CD2 3.76Å; F59-L240 HydrophobicContact CZ-CG 3.98Å; I184-L240 HydrophobicContact CD1-CD1 3.92Å; I184-L240 HydrophobicContact CG1-CD1 3.46Å; I184-L240 VanDerWaalsContact CG1-CD1 3.46Å; L187-L240 HydrophobicContact CD1-CD2 3.31Å; L236-L240 VanDerWaalsContact O-CB 3.31Å; L236-L240 WeakPolarHBondContact O-CB 3.37Å; L236-L240 PolarHBondContact O-N 3.48Å; L237-L240 PolarHBondContact O-N 3.05Å; I238-L240 PolarHBondContact O-N 3.37Å; L240-W243 HydrophobicContact CD1-CB 4.24Å; L240-W243 WeakPolarHBondContact O-CB 3.38Å; L240-W243 PolarHBondContact O-N 3.31Å; L240-E244 PolarHBondContact O-N 3.23Å
241L90.5Very high88.9Confident10 Ų1040.2 Ų40.25%0.05219%0.193CC..THydrogen-bonded Turntrans-53.4-36.9-174.6-71.4174.6000115.9L237 I238 W243 E244 L250 Y327 I330 A331 R334L237-L241 WeakPolarHBondContact O-CG 3.23Å; L237-L241 PolarHBondContact O-N 2.9Å; I238-L241 WeakPolarHBondContact O-CB 3.33Å; I238-L241 PolarHBondContact O-N 3.39Å; L241-W243 PolarHBondContact O-N 3.13Å; L241-E244 PolarHBondContact O-N 2.79Å; L241-L250 HydrophobicContact CD2-CD1 3.68Å; L241-Y327 HydrophobicContact CD1-CD2 4.49Å; L241-Y327 HydrophobicContact CD1-CE2 4.41Å; L241-Y327 HydrophobicContact CD2-CE2 4.15Å; L241-Y327 HydrophobicContact CG-CE2 4.41Å; L241-I330 HydrophobicContact CD1-CB 4.04Å; L241-I330 HydrophobicContact CD1-CG2 3.58Å; L241-A331 HydrophobicContact CD1-CB 4.04Å; L241-A331 HydrophobicContact CD2-CB 3.84Å; L241-R334 HydrophobicContact CB-CB 4.43Å; L241-R334 HydrophobicContact CB-CG 4.27Å; L241-R334 HydrophobicContact CD2-CB 4.29Å; L241-R334 HydrophobicContact CD2-CG 4.33Å; L241-R334 WeakPolarHBondContact O-CD 3.5Å; L241-R334 WeakPolarHBondContact O-CG 3.46Å; L241-R334 PolarHBondContact O-NE 3.21Å
242P87.7Confident89.2Confident80 Ų8038.9 Ų38.952%0.51919%0.188SC..THydrogen-bonded Turntrans-61.3-31.7176.2-23.735.4000113.4E239 R334E239-P242 WeakPolarHBondContact O-CD 3.42Å; P242-R334 PolarHBondContact O-NH2 3.14Å; P242-R334 VanDerWaalsContact O-NH2 3.07Å
243W88.5Confident89.4Confident91 Ų9136.9 Ų36.935%0.34518%0.181SC..THydrogen-bonded Turntrans-84.6-24.1-179.8-54.8104.9000112.5Y56 F59 Q60 L240 L241 I245Y56-W243 AromaticContact CD1-CD1 3.82Å; Y56-W243 AromaticContact CD1-CD2 3.66Å; Y56-W243 HydrophobicContact CD1-CD2 3.66Å; Y56-W243 AromaticContact CD1-CE2 3.42Å; Y56-W243 VanDerWaalsContact CD1-CE2 3.42Å; Y56-W243 HydrophobicContact CD1-CE3 4.26Å; Y56-W243 AromaticContact CD1-CG 3.91Å; Y56-W243 HydrophobicContact CD1-CG 3.91Å; Y56-W243 HydrophobicContact CD1-CH2 4.43Å; Y56-W243 AromaticContact CD1-CZ2 3.86Å; Y56-W243 HydrophobicContact CD1-CZ2 3.86Å; Y56-W243 AromaticContact CD1-NE1 3.51Å; Y56-W243 HydrophobicContact CE1-CZ2 4.41Å; Y56-W243 AromaticContact CE1-NE1 3.7Å; Y56-W243 HydrophobicContact CG-CD2 4.3Å; Y56-W243 HydrophobicContact CG-CE3 4.47Å; Y56-W243 HydrophobicContact CG-CH2 4.41Å; Y56-W243 HydrophobicContact CG-CZ2 4.24Å; F59-W243 HydrophobicContact CD1-CB 3.93Å; F59-W243 HydrophobicContact CE1-CB 4.46Å; Q60-W243 WeakPolarHBondContact CG-O 3.47Å; Q60-W243 PolarHBondContact NE2-O 3.17Å; L240-W243 HydrophobicContact CD1-CB 4.24Å; L240-W243 WeakPolarHBondContact O-CB 3.38Å; L240-W243 PolarHBondContact O-N 3.31Å; L241-W243 PolarHBondContact O-N 3.13Å; W243-I245 PolarHBondContact O-N 2.92Å
244E89.1Confident89.4Confident3 Ų337.6 Ų37.61%0.01419%0.185CC..  trans-64.1132.3178-174.259.9-94.900112F59 R191 L240 L241 N246 L250 R334F59-E244 HydrophobicContact CE1-CB 4.24Å; R191-E244 IonicContact CZ-OE1 2.79Å; R191-E244 IonicContact CZ-OE2 3.55Å; R191-E244 IonicContact NH1-OE1 3.48Å; R191-E244 PolarHBondContact NH1-OE1 3.31Å; R191-E244 IonicContact NH1-OE2 2.65Å; R191-E244 PolarHBondContact NH1-OE2 3Å; R191-E244 IonicContact NH2-OE2 3.47Å; R191-E244 PolarHBondContact NH2-OE2 3.44Å; L240-E244 PolarHBondContact O-N 3.23Å; L241-E244 PolarHBondContact O-N 2.79Å; E244-N246 WeakPolarHBondContact OE1-CB 3.48Å; E244-N246 PolarHBondContact OE1-N 3.23Å; E244-L250 HydrophobicContact CG-CB 4Å; E244-L250 HydrophobicContact CG-CD1 4.34Å; E244-L250 HydrophobicContact CG-CD2 4.06Å; E244-L250 HydrophobicContact CG-CG 4.36Å; E244-R334 PolarHBondContact O-NE 2.9Å; E244-R334 PolarHBondContact O-NH2 3.03Å
245I87.1Confident89.3Confident65 Ų6543.2 Ų43.233%0.33321%0.214SC..  trans-128.2-18.617661.5163.3000112.8Q60 W243 L247 L338Q60-I245 HydrophobicContact CB-CD1 4.28Å; Q60-I245 HydrophobicContact CG-CG2 4.3Å; Q60-I245 VanDerWaalsContact O-CD1 3.24Å; Q60-I245 WeakPolarHBondContact O-CD1 3.46Å; W243-I245 PolarHBondContact O-N 2.92Å; I245-L247 PolarHBondContact O-N 2.95Å; I245-L247 VanDerWaalsContact O-N 3.13Å; I245-L338 HydrophobicContact CB-CD2 4.46Å
246N86.5Confident88.9Confident36 Ų3641.1 Ų41.119%0.19320%0.203CC..  trans-86.295.2-171.1-166-62.5000111.1E244 K248 F249 L250E244-N246 WeakPolarHBondContact OE1-CB 3.48Å; E244-N246 PolarHBondContact OE1-N 3.23Å; N246-K248 PolarHBondContact O-N 3.17Å; N246-K248 VanDerWaalsContact O-N 3.1Å; N246-K248 WeakPolarHBondContact OD1-CB 3.43Å; N246-K248 PolarHBondContact OD1-N 3.42Å; N246-K248 VanDerWaalsContact OD1-N 3.17Å; N246-F249 HydrophobicContact CB-CB 4.3Å; N246-F249 HydrophobicContact CB-CD2 3.62Å; N246-F249 HydrophobicContact CB-CE2 4.38Å; N246-F249 HydrophobicContact CB-CG 4.29Å; N246-F249 PolarHBondContact O-N 2.85Å; N246-F249 VanDerWaalsContact O-N 3.15Å; N246-F249 WeakPolarHBondContact OD1-CD2 3.49Å; N246-F249 PolarHBondContact OD1-N 3.34Å; N246-L250 PolarHBondContact O-N 3.47Å
247L87.4Confident88.1Confident55 Ų5544.5 Ų44.529%0.28822%0.216SC..Hα-helixtrans-50.9-35.8179.3-64.4106.3000113.7I245 Q251 L335 L338 R339I245-L247 PolarHBondContact O-N 2.95Å; I245-L247 VanDerWaalsContact O-N 3.13Å; L247-Q251 WeakPolarHBondContact O-CB 3.44Å; L247-Q251 PolarHBondContact O-N 2.93Å; L247-L335 HydrophobicContact CB-CD1 4.21Å; L247-L335 HydrophobicContact CD2-CD1 4.31Å; L247-L335 HydrophobicContact CG-CD1 4.46Å; L247-L338 HydrophobicContact CD1-CB 4.36Å; L247-L338 HydrophobicContact CD2-CB 3.95Å; L247-L338 HydrophobicContact CG-CB 3.88Å; L247-R339 HydrophobicContact CD2-CB 4.36Å; L247-R339 HydrophobicContact CD2-CG 3.49Å; L247-R339 VanDerWaalsContact CD2-CG 3.49Å
248K87.3Confident86.9Confident143 Ų14344.5 Ų44.562%0.62222%0.216SC*.Hα-helixtrans-70.8-46.2-178.3-179.2-172.5176.4-170.80111N246 I252N246-K248 PolarHBondContact O-N 3.17Å; N246-K248 VanDerWaalsContact O-N 3.1Å; N246-K248 WeakPolarHBondContact OD1-CB 3.43Å; N246-K248 PolarHBondContact OD1-N 3.42Å; N246-K248 VanDerWaalsContact OD1-N 3.17Å; K248-I252 HydrophobicContact CG-CD1 4.34Å; K248-I252 VanDerWaalsContact O-CG1 3.29Å; K248-I252 WeakPolarHBondContact O-CG1 3.45Å; K248-I252 PolarHBondContact O-N 2.73Å
249F90.5Very high85.7Confident10 Ų1045.8 Ų45.84%0.04422%0.223CC..Hα-helixtrans-69.4-44.8179-60.5-38.4000111.6Y63 R191 Y205 N246 Q251 I252 Q253Y63-F249 AromaticContact CE2-CE2 3.95Å; Y63-F249 HydrophobicContact CE2-CE2 3.95Å; R191-F249 HydrophobicContact CB-CD2 4.47Å; R191-F249 HydrophobicContact CB-CE2 3.82Å; R191-F249 HydrophobicContact CB-CZ 4.05Å; R191-F249 VanDerWaalsContact CD-CD2 3.48Å; R191-F249 HydrophobicContact CG-CD2 3.66Å; R191-F249 HydrophobicContact CG-CE1 4.43Å; R191-F249 HydrophobicContact CG-CE2 3.49Å; R191-F249 VanDerWaalsContact CG-CE2 3.49Å; R191-F249 HydrophobicContact CG-CG 4.24Å; R191-F249 HydrophobicContact CG-CZ 3.9Å; Y205-F249 HydrophobicContact CD1-CB 4.2Å; Y205-F249 AromaticContact CD1-CD1 3.44Å; Y205-F249 HydrophobicContact CD1-CD1 3.44Å; Y205-F249 VanDerWaalsContact CD1-CD1 3.44Å; Y205-F249 HydrophobicContact CD1-CE1 4.2Å; Y205-F249 HydrophobicContact CD1-CG 4.15Å; Y205-F249 AromaticContact CD2-CD1 3.89Å; Y205-F249 HydrophobicContact CD2-CD1 3.89Å; Y205-F249 AromaticContact CD2-CE1 3.99Å; Y205-F249 HydrophobicContact CD2-CE1 3.99Å; Y205-F249 HydrophobicContact CE1-CB 3.74Å; Y205-F249 AromaticContact CE1-CD1 3.84Å; Y205-F249 HydrophobicContact CE1-CD1 3.84Å; Y205-F249 HydrophobicContact CE1-CG 4.07Å; Y205-F249 HydrophobicContact CE2-CD1 4.24Å; Y205-F249 HydrophobicContact CE2-CG 4.47Å; Y205-F249 AromaticContact CG-CD1 3.46Å; Y205-F249 HydrophobicContact CG-CD1 3.46Å; Y205-F249 VanDerWaalsContact CG-CD1 3.46Å; Y205-F249 AromaticContact CG-CE1 3.73Å; Y205-F249 HydrophobicContact CG-CE1 3.73Å; Y205-F249 HydrophobicContact CG-CG 4.38Å; N246-F249 HydrophobicContact CB-CB 4.3Å; N246-F249 HydrophobicContact CB-CD2 3.62Å; N246-F249 HydrophobicContact CB-CE2 4.38Å; N246-F249 HydrophobicContact CB-CG 4.29Å; N246-F249 PolarHBondContact O-N 2.85Å; N246-F249 VanDerWaalsContact O-N 3.15Å; N246-F249 WeakPolarHBondContact OD1-CD2 3.49Å; N246-F249 PolarHBondContact OD1-N 3.34Å; F249-Q251 PolarHBondContact O-N 3.46Å; F249-I252 WeakPolarHBondContact O-CB 3.48Å; F249-I252 PolarHBondContact O-N 3.12Å; F249-I252 VanDerWaalsContact O-N 3.12Å; F249-Q253 WeakPolarHBondContact O-CG 3.39Å; F249-Q253 PolarHBondContact O-N 3.02Å
250L91.3Very high84.4Confident0 Ų043.6 Ų43.60%021%0.212CC..Hα-helixtrans-61.7-43.3176.1-175.859.2000112L241 E244 N246 I252 Q253 I254 A331 R334 L335 L338L241-L250 HydrophobicContact CD2-CD1 3.68Å; E244-L250 HydrophobicContact CG-CB 4Å; E244-L250 HydrophobicContact CG-CD1 4.34Å; E244-L250 HydrophobicContact CG-CD2 4.06Å; E244-L250 HydrophobicContact CG-CG 4.36Å; N246-L250 PolarHBondContact O-N 3.47Å; L250-I252 VanDerWaalsContact C-N 3.29Å; L250-I252 PolarHBondContact O-N 2.95Å; L250-Q253 PolarHBondContact O-N 3Å; L250-I254 HydrophobicContact CD1-CD1 4.09Å; L250-I254 HydrophobicContact CD1-CG1 4.42Å; L250-I254 HydrophobicContact CG-CD1 3.94Å; L250-I254 WeakPolarHBondContact O-CD1 3.38Å; L250-I254 WeakPolarHBondContact O-CG1 3.39Å; L250-I254 PolarHBondContact O-N 3.29Å; L250-I254 VanDerWaalsContact O-N 3.09Å; L250-A331 HydrophobicContact CD1-CB 4.1Å; L250-R334 HydrophobicContact CD2-CB 4.28Å; L250-R334 HydrophobicContact CD2-CG 3.99Å; L250-L335 HydrophobicContact CB-CD1 4.46Å; L250-L335 HydrophobicContact CD2-CB 3.92Å; L250-L335 HydrophobicContact CD2-CD1 4.21Å; L250-L335 HydrophobicContact CG-CB 4.4Å; L250-L335 HydrophobicContact CG-CD1 4.4Å; L250-L338 HydrophobicContact CD2-CD1 4.01Å
251Q91.2Very high82.7Confident83 Ų8343.7 Ų43.739%0.38821%0.212SC..Hα-helixtrans-66.4-29175.1-176170.2-15.800112.6L247 F249 N255 L335L247-Q251 WeakPolarHBondContact O-CB 3.44Å; L247-Q251 PolarHBondContact O-N 2.93Å; F249-Q251 PolarHBondContact O-N 3.46Å; Q251-N255 WeakPolarHBondContact CG-ND2 3.26Å; Q251-N255 WeakPolarHBondContact O-CB 3.49Å; Q251-N255 PolarHBondContact O-N 3.27Å; Q251-N255 PolarHBondContact O-ND2 3.07Å; Q251-L335 HydrophobicContact CB-CD1 4.3Å; Q251-L335 HydrophobicContact CB-CD2 3.98Å; Q251-L335 HydrophobicContact CG-CD2 4.26Å
252I89.5Confident80.9Confident31 Ų3149.7 Ų49.716%0.15924%0.235CC..Hα-helixtrans-66-56.9169.8-73.8163.8000109.3Y205 K206 K248 F249 L250 I254 N255 T256Y205-I252 HydrophobicContact CD1-CB 4.14Å; Y205-I252 HydrophobicContact CD1-CD1 3.92Å; Y205-I252 HydrophobicContact CD1-CG2 3.9Å; Y205-I252 HydrophobicContact CE1-CB 4.45Å; Y205-I252 HydrophobicContact CE1-CG2 4.28Å; K206-I252 HydrophobicContact CB-CD1 4.28Å; K206-I252 HydrophobicContact CB-CG1 4.47Å; K206-I252 HydrophobicContact CB-CG2 4.08Å; K206-I252 HydrophobicContact CG-CG2 4.17Å; K248-I252 HydrophobicContact CG-CD1 4.34Å; K248-I252 VanDerWaalsContact O-CG1 3.29Å; K248-I252 WeakPolarHBondContact O-CG1 3.45Å; K248-I252 PolarHBondContact O-N 2.73Å; F249-I252 WeakPolarHBondContact O-CB 3.48Å; F249-I252 PolarHBondContact O-N 3.12Å; F249-I252 VanDerWaalsContact O-N 3.12Å; L250-I252 VanDerWaalsContact C-N 3.29Å; L250-I252 PolarHBondContact O-N 2.95Å; I252-I254 VanDerWaalsContact C-N 3.32Å; I252-I254 PolarHBondContact O-N 2.95Å; I252-N255 CarbonylContact O-C 3.3Å; I252-N255 PolarHBondContact O-N 2.94Å; I252-T256 HydrophobicContact CG2-CG2 4.37Å; I252-T256 PolarHBondContact O-N 3.03Å; I252-T256 PolarHBondContact O-OG1 3.27Å
253Q89.9Confident79.1Confident3 Ų348.5 Ų48.51%0.01423%0.229CC..Hα-helixtrans-49.6-48.5-176.7-69.2172.4-34.700113Y205 W209 F249 L250 N255 T256 Y327Y205-Q253 HydrophobicContact CE1-CG 4.29Å; Y205-Q253 PolarHBondContact OH-NE2 2.96Å; Y205-Q253 VanDerWaalsContact OH-NE2 3.17Å; W209-Q253 HydrophobicContact CD2-CG 4.05Å; W209-Q253 HydrophobicContact CE3-CG 3.88Å; W209-Q253 HydrophobicContact CH2-CB 4.42Å; W209-Q253 HydrophobicContact CH2-CG 3.66Å; W209-Q253 HydrophobicContact CZ2-CB 4.16Å; W209-Q253 HydrophobicContact CZ2-CG 3.81Å; W209-Q253 HydrophobicContact CZ3-CG 3.7Å; F249-Q253 WeakPolarHBondContact O-CG 3.39Å; F249-Q253 PolarHBondContact O-N 3.02Å; L250-Q253 PolarHBondContact O-N 3Å; Q253-N255 VanDerWaalsContact C-N 3.33Å; Q253-N255 PolarHBondContact O-N 2.6Å; Q253-T256 PolarHBondContact O-N 3.36Å; Q253-Y327 PolarHBondContact OE1-OH 2.95Å
254I88.8Confident77.3Confident17 Ų1746.6 Ų46.69%0.08723%0.225CC..Hα-helixtrans-63.1-37.3179.4-64.8162.8000112L250 I252 A331 Q332 L335L250-I254 HydrophobicContact CD1-CD1 4.09Å; L250-I254 HydrophobicContact CD1-CG1 4.42Å; L250-I254 HydrophobicContact CG-CD1 3.94Å; L250-I254 WeakPolarHBondContact O-CD1 3.38Å; L250-I254 WeakPolarHBondContact O-CG1 3.39Å; L250-I254 PolarHBondContact O-N 3.29Å; L250-I254 VanDerWaalsContact O-N 3.09Å; I252-I254 VanDerWaalsContact C-N 3.32Å; I252-I254 PolarHBondContact O-N 2.95Å; I254-A331 HydrophobicContact CD1-CB 3.72Å; I254-A331 HydrophobicContact CG1-CB 3.7Å; I254-Q332 HydrophobicContact CD1-CG 4.28Å; I254-Q332 HydrophobicContact CG2-CG 3.89Å; I254-L335 HydrophobicContact CD1-CB 4.22Å; I254-L335 HydrophobicContact CD1-CD2 4.02Å
255N86Confident75.2Confident117 Ų11751.6 Ų51.663%0.62625%0.247SC*.Hα-helixtrans-89.5-17.1-176.1-72.1-60.4000113.8Q251 I252 Q253Q251-N255 WeakPolarHBondContact CG-ND2 3.26Å; Q251-N255 WeakPolarHBondContact O-CB 3.49Å; Q251-N255 PolarHBondContact O-N 3.27Å; Q251-N255 PolarHBondContact O-ND2 3.07Å; I252-N255 CarbonylContact O-C 3.3Å; I252-N255 PolarHBondContact O-N 2.94Å; Q253-N255 VanDerWaalsContact C-N 3.33Å; Q253-N255 PolarHBondContact O-N 2.6Å
256T82Confident73.4Confident7 Ų755.2 Ų55.24%0.04326%0.26CS..SBendtrans-10579.6175.448.70000111.2K206 W209 M210 I252 Q253K206-T256 HydrophobicContact CD-CG2 4.35Å; K206-T256 HydrophobicContact CG-CG2 3.79Å; W209-T256 PolarHBondContact NE1-O 3.05Å; W209-T256 PolarHBondContact NE1-OG1 3.28Å; M210-T256 HydrophobicContact CG-CG2 4Å; M210-T256 HydrophobicContact SD-CG2 3.68Å; I252-T256 HydrophobicContact CG2-CG2 4.37Å; I252-T256 PolarHBondContact O-N 3.03Å; I252-T256 PolarHBondContact O-OG1 3.27Å; Q253-T256 PolarHBondContact O-N 3.36Å
257R73.3Confident71.5Confident72 Ų7256.3 Ų56.327%0.27227%0.27SS..  trans-64.6135.7175.8171.7166.4157.1177.4-12.8111.8C214 N259 I321C214-R257 PolarHBondContact SG-O 3.46Å; C214-R257 VanDerWaalsContact SG-O 3.4Å; R257-N259 PolarHBondContact O-N 2.93Å; R257-I321 VanDerWaalsContact NH2-CD1 3.28Å; R257-I321 VanDerWaalsContact NH2-CG1 3.32Å
258P68.6Low69.6Low3 Ų354.8 Ų54.82%0.01926%0.262CS..  trans-50.2124.1168-30.938000112.4F213 F261 W324F213-P258 WeakPolarHBondContact O-CB 3.48Å; P258-F261 HydrophobicContact CB-CE2 4.38Å; P258-F261 VanDerWaalsContact O-CD2 3.23Å; P258-F261 WeakPolarHBondContact O-CD2 3.47Å; P258-F261 WeakPolarHBondContact O-CE2 3.21Å; P258-W324 VanDerWaalsContact CD-CZ2 3.43Å; P258-W324 HydrophobicContact CG-CD2 4.11Å; P258-W324 HydrophobicContact CG-CE3 3.83Å; P258-W324 HydrophobicContact CG-CH2 3.99Å; P258-W324 HydrophobicContact CG-CZ2 4.25Å; P258-W324 HydrophobicContact CG-CZ3 3.76Å
259N63.6Low67.5Low61 Ų6152.4 Ų52.433%0.32626%0.257SS..  trans-107.91.9-172.3-86.3-24.2000114.2C214 R257 F261 Y262C214-N259 HydrophobicContact CB-CB 4.43Å; C214-N259 CarbonylContact O-C 3.5Å; C214-N259 WeakPolarHBondContact O-CA 3.44Å; C214-N259 VanDerWaalsContact O-CB 3.25Å; C214-N259 WeakPolarHBondContact O-CB 3.44Å; C214-N259 PolarHBondContact O-N 3.35Å; R257-N259 PolarHBondContact O-N 2.93Å; N259-F261 PolarHBondContact O-N 3.33Å; N259-F261 VanDerWaalsContact O-N 3.13Å; N259-Y262 HydrophobicContact CB-CD2 4.41Å; N259-Y262 WeakPolarHBondContact O-CB 3.19Å; N259-Y262 PolarHBondContact O-N 3.02Å
260W61.7Low65.5Low24 Ų2458.8 Ų58.89%0.09129%0.286CS..Hα-helixtrans-54.4-32.2177.257.6-88.4000112.8C214 P216 V230 Y262 S263 I264 Y316C214-W260 PolarHBondContact O-N 2.73Å; P216-W260 HydrophobicContact CB-CB 4.31Å; V230-W260 HydrophobicContact CB-CZ2 4.15Å; V230-W260 HydrophobicContact CG1-CZ2 3.99Å; V230-W260 HydrophobicContact CG2-CH2 3.69Å; V230-W260 HydrophobicContact CG2-CZ2 3.21Å; W260-Y262 PolarHBondContact O-N 2.87Å; W260-Y262 VanDerWaalsContact O-N 3.16Å; W260-S263 PolarHBondContact O-N 2.74Å; W260-S263 VanDerWaalsContact O-N 3.17Å; W260-I264 HydrophobicContact CE3-CD1 3.98Å; W260-I264 HydrophobicContact CZ3-CD1 4.03Å; W260-Y316 AromaticContact CH2-CE1 3.82Å; W260-Y316 HydrophobicContact CH2-CE1 3.82Å; W260-Y316 AromaticContact CZ3-CE1 3.76Å; W260-Y316 HydrophobicContact CZ3-CE1 3.76Å
261F57.1Low63.2Low6 Ų664.4 Ų64.43%0.02631%0.307CS..Hα-helixtrans-48.4-37.8168.8-53.8-64.6000114.6P258 N259 K265 I317 C320 I321P258-F261 HydrophobicContact CB-CE2 4.38Å; P258-F261 VanDerWaalsContact O-CD2 3.23Å; P258-F261 WeakPolarHBondContact O-CD2 3.47Å; P258-F261 WeakPolarHBondContact O-CE2 3.21Å; N259-F261 PolarHBondContact O-N 3.33Å; N259-F261 VanDerWaalsContact O-N 3.13Å; F261-K265 PolarHBondContact O-N 3.17Å; F261-I317 HydrophobicContact CB-CG2 4.25Å; F261-I317 HydrophobicContact CD1-CG1 4.42Å; F261-I317 HydrophobicContact CD1-CG2 4.15Å; F261-I317 HydrophobicContact CG-CG2 4.46Å; F261-C320 HydrophobicContact CE1-CB 3.36Å; F261-C320 HydrophobicContact CZ-CB 3.66Å; F261-I321 HydrophobicContact CD2-CG1 4.21Å; F261-I321 HydrophobicContact CE1-CG1 4.48Å; F261-I321 HydrophobicContact CE2-CG1 4.16Å; F261-I321 HydrophobicContact CG-CG1 4.39Å; F261-I321 HydrophobicContact CZ-CG1 4.29Å
262Y52.6Low61Low136 Ų13665.6 Ų65.653%0.53332%0.316SS..Hα-helixtrans-75-27.3-175.3-80-78.1000112.9N259 W260 K265 K266N259-Y262 HydrophobicContact CB-CD2 4.41Å; N259-Y262 WeakPolarHBondContact O-CB 3.19Å; N259-Y262 PolarHBondContact O-N 3.02Å; W260-Y262 PolarHBondContact O-N 2.87Å; W260-Y262 VanDerWaalsContact O-N 3.16Å; Y262-K265 PolarHBondContact O-N 2.91Å; Y262-K266 WeakPolarHBondContact O-CG 3.35Å; Y262-K266 PolarHBondContact O-N 3.36Å
263S48.7Very low58.9Low55 Ų5572.8 Ų72.839%0.38535%0.346SS..Hα-helixtrans-74.5-36175.5-73.40000112P216 W260 K265 K266 S267P216-S263 WeakPolarHBondContact CG-OG 3.24Å; W260-S263 PolarHBondContact O-N 2.74Å; W260-S263 VanDerWaalsContact O-N 3.17Å; S263-K265 VanDerWaalsContact C-N 3.31Å; S263-K265 PolarHBondContact O-N 3.41Å; S263-K266 PolarHBondContact O-N 3.25Å; S263-K266 VanDerWaalsContact O-N 3.14Å; S263-S267 PolarHBondContact O-N 3.1Å; S263-S267 PolarHBondContact O-OG 3.45Å
264I50.2Low56.6Low51 Ų5178.9 Ų78.926%0.26238%0.378SS..Hα-helixtrans-57.6-47.2169-54.5171.7000109.6W260 K266 S267 I268 C313 I317W260-I264 HydrophobicContact CE3-CD1 3.98Å; W260-I264 HydrophobicContact CZ3-CD1 4.03Å; I264-K266 VanDerWaalsContact C-N 3.29Å; I264-K266 PolarHBondContact O-N 3.44Å; I264-S267 PolarHBondContact O-N 2.84Å; I264-S267 PolarHBondContact O-OG 3.24Å; I264-S267 VanDerWaalsContact O-OG 3.04Å; I264-I268 HydrophobicContact CG2-CD1 4.07Å; I264-I268 WeakPolarHBondContact O-CD1 3.34Å; I264-I268 WeakPolarHBondContact O-CG1 3.38Å; I264-I268 PolarHBondContact O-N 3.31Å; I264-C313 VanDerWaalsContact CG2-SG 3.58Å; I264-I317 HydrophobicContact CB-CD1 4.25Å; I264-I317 HydrophobicContact CG2-CD1 4.01Å
265K45.6Very low54.1Low109 Ų10983.9 Ų83.947%0.47441%0.405SS..Hα-helixtrans-67.9-24.3177.6-164.3156.2-171.9152.50113.8F261 Y262 S263 N269F261-K265 PolarHBondContact O-N 3.17Å; Y262-K265 PolarHBondContact O-N 2.91Å; S263-K265 VanDerWaalsContact C-N 3.31Å; S263-K265 PolarHBondContact O-N 3.41Å; K265-N269 PolarHBondContact O-ND2 3.18Å
266K48.6Very low52.2Low141 Ų14184.1 Ų84.161%0.61341%0.413SS*.Hα-helixtrans-78.7-45.9173.3-81.5-175.6174.9-174.90112.5Y262 S263 I264 I268 N269 H270Y262-K266 WeakPolarHBondContact O-CG 3.35Å; Y262-K266 PolarHBondContact O-N 3.36Å; S263-K266 PolarHBondContact O-N 3.25Å; S263-K266 VanDerWaalsContact O-N 3.14Å; I264-K266 VanDerWaalsContact C-N 3.29Å; I264-K266 PolarHBondContact O-N 3.44Å; K266-I268 VanDerWaalsContact C-N 3.32Å; K266-I268 PolarHBondContact O-N 2.85Å; K266-N269 PolarHBondContact O-N 2.8Å; K266-N269 VanDerWaalsContact O-N 3.12Å; K266-H270 PolarHBondContact O-CD2 3.47Å; K266-H270 VanDerWaalsContact O-CD2 3.32Å; K266-H270 PolarHBondContact O-N 3.47Å
267S47.5Very low50.5Low58 Ų5890.6 Ų90.641%0.40645%0.447SS..Hα-helixtrans-60.8-41.3-177.859.60000112S263 I264 H270 R271S263-S267 PolarHBondContact O-N 3.1Å; S263-S267 PolarHBondContact O-OG 3.45Å; I264-S267 PolarHBondContact O-N 2.84Å; I264-S267 PolarHBondContact O-OG 3.24Å; I264-S267 VanDerWaalsContact O-OG 3.04Å; S267-H270 PolarHBondContact O-N 2.98Å; S267-R271 PolarHBondContact O-N 2.92Å; S267-R271 VanDerWaalsContact O-N 3.1Å
268I47.2Very low48.9Very low23 Ų2391.9 Ų91.912%0.11846%0.459CS..Hα-helixtrans-57.8-49.9172.4-65.3167.1000111.1I264 K266 H270 R271 N272I264-I268 HydrophobicContact CG2-CD1 4.07Å; I264-I268 WeakPolarHBondContact O-CD1 3.34Å; I264-I268 WeakPolarHBondContact O-CG1 3.38Å; I264-I268 PolarHBondContact O-N 3.31Å; K266-I268 VanDerWaalsContact C-N 3.32Å; K266-I268 PolarHBondContact O-N 2.85Å; I268-H270 VanDerWaalsContact C-N 3.28Å; I268-H270 PolarHBondContact O-N 3.01Å; I268-R271 PolarHBondContact O-N 3.33Å; I268-N272 VanDerWaalsContact O-CG 3.24Å; I268-N272 PolarHBondContact O-N 3.46Å; I268-N272 VanDerWaalsContact O-N 3.09Å; I268-N272 PolarHBondContact O-ND2 3.04Å; I268-N272 PolarHBondContact O-OD1 3.24Å
269N43.7Very low47.3Very low94 Ų9497.2 Ų97.250%0.50350%0.497SS..Hα-helixtrans-67.7-22-178.4-80.8-45.6000114.5K265 K266K265-N269 PolarHBondContact O-ND2 3.18Å; K266-N269 PolarHBondContact O-N 2.8Å; K266-N269 VanDerWaalsContact O-N 3.12Å
270H49Very low46Very low144 Ų144104.8 Ų104.867%0.66752%0.521SS*.Hα-helixtrans-83.6-36.5173.3-83.1-82.1000112.7K266 S267 I268 K273K266-H270 PolarHBondContact O-CD2 3.47Å; K266-H270 VanDerWaalsContact O-CD2 3.32Å; K266-H270 PolarHBondContact O-N 3.47Å; S267-H270 PolarHBondContact O-N 2.98Å; I268-H270 VanDerWaalsContact C-N 3.28Å; I268-H270 PolarHBondContact O-N 3.01Å; H270-K273 PolarHBondContact O-N 3.06Å
271R43.2Very low44.9Very low118 Ų118109.6 Ų109.645%0.44555%0.547SS..Hα-helixtrans-66.3-40.4174.6-73.5-177175.3179.6-1.4112S267 I268 K273 I274S267-R271 PolarHBondContact O-N 2.92Å; S267-R271 VanDerWaalsContact O-N 3.1Å; I268-R271 PolarHBondContact O-N 3.33Å; R271-K273 PolarHBondContact O-N 2.81Å; R271-I274 PolarHBondContact O-N 3.13Å; R271-I274 VanDerWaalsContact O-N 3.15Å
272N45.1Very low43.6Very low107 Ų107118.5 Ų118.557%0.57259%0.585SS**THydrogen-bonded Turntrans-7012.1179.8-62.7-8.7000115.1I268I268-N272 VanDerWaalsContact O-CG 3.24Å; I268-N272 PolarHBondContact O-N 3.46Å; I268-N272 VanDerWaalsContact O-N 3.09Å; I268-N272 PolarHBondContact O-ND2 3.04Å; I268-N272 PolarHBondContact O-OD1 3.24Å
273K44.6Very low42.5Very low182 Ų182116.8 Ų116.879%0.79159%0.594SS**THydrogen-bonded Turntrans-119.42.4174.4-80.1-168.8170.7-170.20113.9H270 R271 D275H270-K273 PolarHBondContact O-N 3.06Å; R271-K273 PolarHBondContact O-N 2.81Å; K273-D275 PolarHBondContact O-N 3.41Å
274I41.1Very low41.7Very low132 Ų132120.9 Ų120.968%0.67761%0.61SS**  trans-84.7110.4174.2-57.1176.2000107.1R271R271-I274 PolarHBondContact O-N 3.13Å; R271-I274 VanDerWaalsContact O-N 3.15Å
275D37.3Very low40.6Very low121 Ų121126 Ų12665%0.64763%0.633SS**  trans-72.9119.5179.6-152.2-23.1000109.1K273 D277 D278K273-D275 PolarHBondContact O-N 3.41Å; D275-D277 PolarHBondContact O-N 2.93Å; D275-D277 VanDerWaalsContact O-N 3.11Å; D275-D278 PolarHBondContact O-N 3.41Å
276P44.9Very low39.8Very low123 Ų123127.1 Ų127.180%0.79965%0.648SS**THydrogen-bonded Turntrans-68.5-11.3-167.425.2-35.3000115.3
277D46.7Very low39Very low143 Ų143127.3 Ų127.377%0.76565%0.654SS**THydrogen-bonded Turntrans-93.5-7.6-177.2-86.4-36.4000115.2D275 S279D275-D277 PolarHBondContact O-N 2.93Å; D275-D277 VanDerWaalsContact O-N 3.11Å; D277-S279 PolarHBondContact O-N 2.79Å; D277-S279 PolarHBondContact O-OG 3.22Å
278D40.7Very low38Very low98 Ų98132.6 Ų132.652%0.52467%0.673SS.*  trans-77.873.2179.9-161.7-14.3000113.2D275 R280D275-D278 PolarHBondContact O-N 3.41Å; D278-R280 PolarHBondContact O-N 3.03Å; D278-R280 PolarHBondContact OD1-N 3.16Å
279S34.5Very low37Very low115 Ų115136.8 Ų136.880%0.80470%0.704SS**THydrogen-bonded Turntrans-67.719.3178.951.70000115.3D277D277-S279 PolarHBondContact O-N 2.79Å; D277-S279 PolarHBondContact O-OG 3.22Å
280R36Very low36.3Very low220 Ų220139.4 Ų139.483%0.8372%0.717SS**THydrogen-bonded Turntrans-126.8-10.2-173-66.5-170.1176.7-168.8-0.3117.2D278 K282D278-R280 PolarHBondContact O-N 3.03Å; D278-R280 PolarHBondContact OD1-N 3.16Å; R280-K282 VanDerWaalsContact C-N 3.29Å; R280-K282 PolarHBondContact O-N 2.66Å
281I38Very low35.5Very low125 Ų125139.8 Ų139.864%0.64172%0.724SS**  trans-79.575-177.7-48.7-176000112.1
282K30.3Very low34.8Very low193 Ų193142.7 Ų142.784%0.83974%0.742SS**SBendtrans-80.3121.3142.5-87.5-172.6174.8-177.90107.3R280R280-K282 VanDerWaalsContact C-N 3.29Å; R280-K282 PolarHBondContact O-N 2.66Å
283S28.7Very low34Very low101 Ų101145.3 Ų145.371%0.70676%0.757SS**  trans59.3136.6-177.958.40000115.8
284I32.7Very low33.5Very low140 Ų140143 Ų14372%0.71875%0.749SS**  175.6109.5129.5-87.8153.6000108.4
285E27.2Very low33Very low160 Ų160146.5 Ų146.575%0.74876%0.759SS**  trans11.7111.9147.1-55.1174.7122.300118.8
286V29.5Very low32.6Very low131 Ų131148.8 Ų148.879%0.79477%0.768SS**  trans-127.992.4151.6-176.60000109.9
287I32.1Very low32Very low146 Ų146149.2 Ų149.275%0.74976%0.761SS**  trans65.480155.2-48.5174.2000116.2S289I287-S289 PolarHBondContact O-N 2.97Å
288Q25.2Very low31.3Very low169 Ų169147.4 Ų147.479%0.7976%0.757SS**  trans-10.3113.7134.2-59.2159.4-5.200116
289S25.6Very low31.1Very low110 Ų110148.7 Ų148.777%0.76976%0.763SS**  trans176.926140.6620000116.1I287I287-S289 PolarHBondContact O-N 2.97Å
290L29.4Very low31.1Very low150 Ų150148 Ų14879%0.78575%0.75SS**  trans-123.2127.9169.9-73.9170.8000109.7
291N32.5Very low31.3Very low151 Ų151143.6 Ų143.681%0.80774%0.743SS**  trans-87.6121.6-180-70.32000110
292E28Very low31.2Very low179 Ų179141.9 Ų141.984%0.83673%0.732SS**SBendtrans55.3142.1141-56.1-178.315700119.1
293D29.9Very low31.6Very low163 Ų163136.6 Ų136.687%0.87272%0.718SS**  trans70.615.5-179.9-60.5-16.7000119.3F295D293-F295 PolarHBondContact O-N 3.41Å
294E32.3Very low32.1Very low133 Ų133133.9 Ų133.962%0.62170%0.698SS**  trans-71.289.7158.9-87.7-163.6150.600111.5M296E294-M296 PolarHBondContact O-N 3.41Å; E294-M296 VanDerWaalsContact O-N 3.14Å
295F31.3Very low32.3Very low206 Ų206131.3 Ų131.390%0.90469%0.686SS**  trans-69.4104.8167.9-134.7-88.8000109.4D293 M297D293-F295 PolarHBondContact O-N 3.41Å; F295-M297 VanDerWaalsContact C-N 3.3Å; F295-M297 PolarHBondContact O-N 2.85Å
296M28.6Very low32.9Very low169 Ų169127.2 Ų127.283%0.83367%0.667SS**  trans-64.381.8178.5-80.7-86179.200112E294E294-M296 PolarHBondContact O-N 3.41Å; E294-M296 VanDerWaalsContact O-N 3.14Å
297M32.3Very low33.5Very low131 Ų131124.3 Ų124.365%0.64565%0.647SS**PPolyproline II helixtrans-76.9132.7167.4-155.3177.990.500109.1T220 F295T220-M297 HydrophobicContact CG2-CE 4.46Å; F295-M297 VanDerWaalsContact C-N 3.3Å; F295-M297 PolarHBondContact O-N 2.85Å
298P33Very low34.1Very low106 Ų106125.3 Ų125.369%0.68865%0.65SS**PPolyproline II helixtrans-58.7145.7173.7-22.533.6000111.2
299L36Very low35.1Very low124 Ų124121 Ų12165%0.64963%0.633SS**PPolyproline II helixtrans-58.5142157.8-82.780.1000108.1L301L299-L301 PolarHBondContact O-N 3.2Å
300D35.7Very low36.3Very low100 Ų100119.3 Ų119.354%0.53562%0.615SS.*PPolyproline II helixtrans-49.7136.8-179.3-68.4-64.8000112.2E302 C303 T304D300-E302 PolarHBondContact O-N 3.46Å; D300-C303 WeakPolarHBondContact O-CB 3.48Å; D300-C303 PolarHBondContact O-N 3.04Å; D300-C303 VanDerWaalsContact O-N 3.11Å; D300-T304 PolarHBondContact O-N 3.15Å; D300-T304 PolarHBondContact O-OG1 3.32Å
301L38.4Very low37.5Very low129 Ų129117.3 Ų117.368%0.67561%0.605SS**Hα-helixtrans-63.6-27.6-171.3-164.462.8000111.4L299 T304 N305L299-L301 PolarHBondContact O-N 3.2Å; L301-T304 CarbonylContact O-C 2.92Å; L301-T304 WeakPolarHBondContact O-CA 3.25Å; L301-T304 WeakPolarHBondContact O-CB 3.35Å; L301-T304 PolarHBondContact O-N 2.94Å; L301-T304 VanDerWaalsContact O-N 3.09Å; L301-N305 VanDerWaalsContact O-CG 3.25Å; L301-N305 PolarHBondContact O-N 2.88Å; L301-N305 PolarHBondContact O-OD1 2.9Å
302E37.3Very low38.8Very low89 Ų89114.6 Ų114.642%0.41659%0.587SS.*Hα-helixtrans-62.8-48.7173.8-58.2177.1122.300112.3L154 D300 T304 N305 M306L154-E302 WeakPolarHBondContact CD1-OE1 3.41Å; L154-E302 WeakPolarHBondContact CD2-OE1 3.46Å; L154-E302 WeakPolarHBondContact CG-OE1 3.47Å; D300-E302 PolarHBondContact O-N 3.46Å; E302-T304 PolarHBondContact O-N 3.17Å; E302-N305 PolarHBondContact O-N 3.1Å; E302-N305 VanDerWaalsContact O-N 3.07Å; E302-M306 PolarHBondContact O-N 3.4Å; E302-M306 VanDerWaalsContact O-N 3.13Å
303C37.7Very low40.2Very low81 Ų81107.2 Ų107.255%0.54756%0.555SS.*Hα-helixtrans-58.8-31170.8-1000000111.6D300 I307D300-C303 WeakPolarHBondContact O-CB 3.48Å; D300-C303 PolarHBondContact O-N 3.04Å; D300-C303 VanDerWaalsContact O-N 3.11Å; C303-I307 WeakPolarHBondContact O-CD1 3.48Å; C303-I307 VanDerWaalsContact O-CG1 3.24Å; C303-I307 WeakPolarHBondContact O-CG1 3.24Å
304T38.7Very low41.8Very low45 Ų45102.7 Ų102.728%0.27653%0.531SS..Hα-helixtrans-75.6-29.9177.3-57.40000112.4D300 L301 E302D300-T304 PolarHBondContact O-N 3.15Å; D300-T304 PolarHBondContact O-OG1 3.32Å; L301-T304 CarbonylContact O-C 2.92Å; L301-T304 WeakPolarHBondContact O-CA 3.25Å; L301-T304 WeakPolarHBondContact O-CB 3.35Å; L301-T304 PolarHBondContact O-N 2.94Å; L301-T304 VanDerWaalsContact O-N 3.09Å; E302-T304 PolarHBondContact O-N 3.17Å
305N37.4Very low43.6Very low86 Ų86100.7 Ų100.746%0.4653%0.525SS..Hα-helixtrans-78.4-40.2179.5-69.4-14.9000113L301 E302 I307 M308L301-N305 VanDerWaalsContact O-CG 3.25Å; L301-N305 PolarHBondContact O-N 2.88Å; L301-N305 PolarHBondContact O-OD1 2.9Å; E302-N305 PolarHBondContact O-N 3.1Å; E302-N305 VanDerWaalsContact O-N 3.07Å; N305-I307 PolarHBondContact O-N 3.43Å; N305-I307 VanDerWaalsContact O-N 3.13Å; N305-M308 PolarHBondContact O-N 3.19Å
306M40.2Very low45.3Very low74 Ų7493.8 Ų93.837%0.36549%0.493SS..G310 helixtrans-66.7-11.6176.3-63.4-163.392.300114L157 E302 M308L157-M306 HydrophobicContact CD2-SD 3.8Å; L157-M306 HydrophobicContact CG-SD 4.45Å; E302-M306 PolarHBondContact O-N 3.4Å; E302-M306 VanDerWaalsContact O-N 3.13Å; M306-M308 VanDerWaalsContact C-N 3.28Å; M306-M308 PolarHBondContact O-N 2.94Å
307I43Very low47.3Very low69 Ų6986.4 Ų86.435%0.35446%0.457SS..G310 helixtrans-76.4-9-179.4-76.9170.5000113.3C303 N305 D309C303-I307 WeakPolarHBondContact O-CD1 3.48Å; C303-I307 VanDerWaalsContact O-CG1 3.24Å; C303-I307 WeakPolarHBondContact O-CG1 3.24Å; N305-I307 PolarHBondContact O-N 3.43Å; N305-I307 VanDerWaalsContact O-N 3.13Å; I307-D309 PolarHBondContact O-N 3.13Å; I307-D309 VanDerWaalsContact O-N 3.16Å
308M43.9Very low49.3Very low168 Ų16885.6 Ų85.683%0.82845%0.452SS*.G310 helixtrans-63.2-20.5179-70.8-161-70.600114.2N305 M306N305-M308 PolarHBondContact O-N 3.19Å; M306-M308 VanDerWaalsContact C-N 3.28Å; M306-M308 PolarHBondContact O-N 2.94Å
309D46.6Very low51.5Low79 Ų7982.1 Ų82.142%0.42243%0.43SS..  trans-114.398.3177.1-131.6-51.6000113I307 N311 H312 C313I307-D309 PolarHBondContact O-N 3.13Å; I307-D309 VanDerWaalsContact O-N 3.16Å; D309-N311 PolarHBondContact O-N 3.04Å; D309-N311 PolarHBondContact OD1-ND2 3.42Å; D309-H312 PolarHBondContact O-N 3.07Å; D309-C313 PolarHBondContact O-N 3.38Å
310N49.9Very low53.6Low74 Ų7476.2 Ų76.240%0.39640%0.399SS..Hα-helixtrans-54.9-26.6176.5-90-74.7000112.8N314N310-N314 PolarHBondContact O-N 3.38Å; N310-N314 PolarHBondContact O-ND2 3.27Å
311N56Low55.8Low107 Ų10772.9 Ų72.957%0.57238%0.381SS*.Hα-helixtrans-69.6-45.9-179.3-64.8-41.8000111.9D309 C313 N314 N315D309-N311 PolarHBondContact O-N 3.04Å; D309-N311 PolarHBondContact OD1-ND2 3.42Å; N311-C313 VanDerWaalsContact C-N 3.35Å; N311-C313 PolarHBondContact O-N 2.72Å; N311-N314 PolarHBondContact O-N 3.43Å; N311-N315 WeakPolarHBondContact O-CB 3.26Å; N311-N315 PolarHBondContact O-N 2.93Å; N311-N315 PolarHBondContact O-ND2 2.81Å
312H58.3Low58Low94 Ų9470.4 Ų70.444%0.43537%0.368SS..Hα-helixtrans-63.4-41.7-179.5-76.2-110.1000111.2D161 D309 N314 N315 Y316D161-H312 IonicContact OD2-CE1 3.53Å; D161-H312 IonicContact OD2-CG 3.85Å; D161-H312 IonicContact OD2-ND1 2.75Å; D161-H312 PolarHBondContact OD2-ND1 3.24Å; D309-H312 PolarHBondContact O-N 3.07Å; H312-N314 PolarHBondContact O-N 2.84Å; H312-N315 PolarHBondContact O-N 3.2Å; H312-Y316 WeakPolarHBondContact O-CB 3.28Å; H312-Y316 PolarHBondContact O-N 3.03Å
313C58.1Low60.3Low25 Ų2568.9 Ų68.917%0.16936%0.359CS..Hα-helixtrans-63.1-41.6175.9-171.40000113I264 D309 N311 I317I264-C313 VanDerWaalsContact CG2-SG 3.58Å; D309-C313 PolarHBondContact O-N 3.38Å; N311-C313 VanDerWaalsContact C-N 3.35Å; N311-C313 PolarHBondContact O-N 2.72Å; C313-I317 VanDerWaalsContact O-CG1 3.29Å; C313-I317 WeakPolarHBondContact O-CG1 3.46Å; C313-I317 PolarHBondContact O-N 2.92Å; C313-I317 VanDerWaalsContact O-N 3.07Å
314N64.2Low62.7Low68 Ų6865.3 Ų65.336%0.36433%0.333SS..Hα-helixtrans-67.1-42.6175.6-77.1-73.1000111.6N310 N311 H312 Y316 I317 E318N310-N314 PolarHBondContact O-N 3.38Å; N310-N314 PolarHBondContact O-ND2 3.27Å; N311-N314 PolarHBondContact O-N 3.43Å; H312-N314 PolarHBondContact O-N 2.84Å; N314-Y316 PolarHBondContact O-N 2.91Å; N314-I317 PolarHBondContact O-N 3.12Å; N314-E318 WeakPolarHBondContact O-CB 3.44Å; N314-E318 PolarHBondContact O-N 3.12Å
315N69.1Low65Low91 Ų9166.4 Ų66.449%0.48734%0.338SS..Hα-helixtrans-61.8-40.1176.9-68.8-12.4000112.4N311 H312 S319N311-N315 WeakPolarHBondContact O-CB 3.26Å; N311-N315 PolarHBondContact O-N 2.93Å; N311-N315 PolarHBondContact O-ND2 2.81Å; H312-N315 PolarHBondContact O-N 3.2Å; N315-S319 VanDerWaalsContact O-CB 3.28Å; N315-S319 WeakPolarHBondContact O-CB 3.44Å; N315-S319 PolarHBondContact O-N 3.13Å; N315-S319 PolarHBondContact O-OG 3.28Å
316Y67.9Low67.4Low60 Ų6065.5 Ų65.524%0.23533%0.333CS..Hα-helixtrans-58-52.3171.9173.3-74.1000110.9S226 R227 W260 H312 N314 S319 C320S226-Y316 VanDerWaalsContact C-OH 3.29Å; R227-Y316 HydrophobicContact CB-CD2 4.02Å; R227-Y316 HydrophobicContact CB-CE2 3.51Å; R227-Y316 PolarHBondContact N-OH 2.79Å; W260-Y316 AromaticContact CH2-CE1 3.82Å; W260-Y316 HydrophobicContact CH2-CE1 3.82Å; W260-Y316 AromaticContact CZ3-CE1 3.76Å; W260-Y316 HydrophobicContact CZ3-CE1 3.76Å; H312-Y316 WeakPolarHBondContact O-CB 3.28Å; H312-Y316 PolarHBondContact O-N 3.03Å; N314-Y316 PolarHBondContact O-N 2.91Å; Y316-S319 PolarHBondContact O-N 3.42Å; Y316-C320 PolarHBondContact O-N 2.65Å; Y316-C320 VanDerWaalsContact O-N 3.13Å; Y316-C320 PolarHBondContact O-SG 2.84Å; Y316-C320 VanDerWaalsContact O-SG 3.33Å
317I69.6Low69.8Low15 Ų1562 Ų628%0.07732%0.316CS..Hα-helixtrans-63.5-47.6-176.5-72.1170.2000110F261 I264 C313 N314 S319 C320 I321F261-I317 HydrophobicContact CB-CG2 4.25Å; F261-I317 HydrophobicContact CD1-CG1 4.42Å; F261-I317 HydrophobicContact CD1-CG2 4.15Å; F261-I317 HydrophobicContact CG-CG2 4.46Å; I264-I317 HydrophobicContact CB-CD1 4.25Å; I264-I317 HydrophobicContact CG2-CD1 4.01Å; C313-I317 VanDerWaalsContact O-CG1 3.29Å; C313-I317 WeakPolarHBondContact O-CG1 3.46Å; C313-I317 PolarHBondContact O-N 2.92Å; C313-I317 VanDerWaalsContact O-N 3.07Å; N314-I317 PolarHBondContact O-N 3.12Å; I317-S319 PolarHBondContact O-N 3.23Å; I317-C320 PolarHBondContact O-N 3.06Å; I317-I321 HydrophobicContact CG2-CD1 3.49Å; I317-I321 VanDerWaalsContact CG2-CD1 3.49Å; I317-I321 HydrophobicContact CG2-CG1 4.33Å; I317-I321 WeakPolarHBondContact O-CB 3.37Å; I317-I321 WeakPolarHBondContact O-CD1 3.38Å; I317-I321 WeakPolarHBondContact O-CG1 3.43Å; I317-I321 PolarHBondContact O-N 3.09Å
318E75.5Confident72.1Confident114 Ų11459.4 Ų59.453%0.53330%0.303SS..Hα-helixtrans-61.2-43.8178.4-177.3167.7-179.400112.2N314 C320 I321 N322N314-E318 WeakPolarHBondContact O-CB 3.44Å; N314-E318 PolarHBondContact O-N 3.12Å; E318-C320 PolarHBondContact O-N 3.48Å; E318-I321 PolarHBondContact O-N 2.73Å; E318-N322 WeakPolarHBondContact O-CB 3.32Å; E318-N322 VanDerWaalsContact O-CG 3.24Å; E318-N322 PolarHBondContact O-N 3.26Å; E318-N322 PolarHBondContact O-ND2 3.1Å
319S78.5Confident74.3Confident33 Ų3357.7 Ų57.723%0.23129%0.293CS..Hα-helixtrans-58.2-45.4177.2-630000112.5R227 F231 N315 Y316 I317 N322 R323R227-S319 VanDerWaalsContact NH2-CB 3.28Å; R227-S319 PolarHBondContact NH2-OG 2.9Å; R227-S319 VanDerWaalsContact NH2-OG 3.08Å; F231-S319 WeakPolarHBondContact CZ-O 3.37Å; N315-S319 VanDerWaalsContact O-CB 3.28Å; N315-S319 WeakPolarHBondContact O-CB 3.44Å; N315-S319 PolarHBondContact O-N 3.13Å; N315-S319 PolarHBondContact O-OG 3.28Å; Y316-S319 PolarHBondContact O-N 3.42Å; I317-S319 PolarHBondContact O-N 3.23Å; S319-N322 PolarHBondContact O-N 2.84Å; S319-R323 PolarHBondContact O-N 3.4Å
320C79.4Confident76.4Confident0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-70.7-35.5178.8-67.40000112.5V230 F231 F261 Y316 I317 E318 R323 W324V230-C320 HydrophobicContact CG1-CB 4.2Å; F231-C320 HydrophobicContact CE2-CB 4.49Å; F261-C320 HydrophobicContact CE1-CB 3.36Å; F261-C320 HydrophobicContact CZ-CB 3.66Å; Y316-C320 PolarHBondContact O-N 2.65Å; Y316-C320 VanDerWaalsContact O-N 3.13Å; Y316-C320 PolarHBondContact O-SG 2.84Å; Y316-C320 VanDerWaalsContact O-SG 3.33Å; I317-C320 PolarHBondContact O-N 3.06Å; E318-C320 PolarHBondContact O-N 3.48Å; C320-R323 PolarHBondContact O-N 2.85Å; C320-W324 WeakPolarHBondContact O-CB 3.31Å; C320-W324 PolarHBondContact O-N 3.15Å
321I81.6Confident78.3Confident30 Ų3053.5 Ų53.515%0.15427%0.27CS..Hα-helixtrans-63.7-44.7173.1-72.1168.1000110.5R257 F261 I317 E318 W324 N325R257-I321 VanDerWaalsContact NH2-CD1 3.28Å; R257-I321 VanDerWaalsContact NH2-CG1 3.32Å; F261-I321 HydrophobicContact CD2-CG1 4.21Å; F261-I321 HydrophobicContact CE1-CG1 4.48Å; F261-I321 HydrophobicContact CE2-CG1 4.16Å; F261-I321 HydrophobicContact CG-CG1 4.39Å; F261-I321 HydrophobicContact CZ-CG1 4.29Å; I317-I321 HydrophobicContact CG2-CD1 3.49Å; I317-I321 VanDerWaalsContact CG2-CD1 3.49Å; I317-I321 HydrophobicContact CG2-CG1 4.33Å; I317-I321 WeakPolarHBondContact O-CB 3.37Å; I317-I321 WeakPolarHBondContact O-CD1 3.38Å; I317-I321 WeakPolarHBondContact O-CG1 3.43Å; I317-I321 PolarHBondContact O-N 3.09Å; E318-I321 PolarHBondContact O-N 2.73Å; I321-W324 PolarHBondContact O-N 2.87Å; I321-N325 PolarHBondContact O-N 3.27Å; I321-N325 PolarHBondContact O-ND2 3.38Å; I321-N325 PolarHBondContact O-OD1 2.96Å
322N84.7Confident80Confident76 Ų7651.7 Ų51.741%0.40626%0.258SS..Hα-helixtrans-63.5-43.3178.2-69.3-19.9000110.8E318 S319 W324 N325 D326E318-N322 WeakPolarHBondContact O-CB 3.32Å; E318-N322 VanDerWaalsContact O-CG 3.24Å; E318-N322 PolarHBondContact O-N 3.26Å; E318-N322 PolarHBondContact O-ND2 3.1Å; S319-N322 PolarHBondContact O-N 2.84Å; N322-W324 VanDerWaalsContact C-N 3.33Å; N322-W324 PolarHBondContact O-N 3.49Å; N322-N325 WeakPolarHBondContact O-CB 3.4Å; N322-N325 PolarHBondContact O-N 3.4Å; N322-N325 VanDerWaalsContact O-N 3.09Å; N322-D326 PolarHBondContact O-N 2.9Å
323R86.3Confident81.4Confident58 Ų5848 Ų4822%0.21925%0.246CC..Hα-helixtrans-65.6-33.8176-170.254.9178.1161.23.4113.8F231 C234 N235 S319 C320 D326 Y327F231-R323 HydrophobicContact CD1-CB 4.13Å; F231-R323 HydrophobicContact CD1-CG 3.71Å; F231-R323 HydrophobicContact CD2-CB 4.19Å; F231-R323 HydrophobicContact CD2-CG 4.29Å; F231-R323 HydrophobicContact CE1-CB 3.81Å; F231-R323 HydrophobicContact CE1-CG 3.85Å; F231-R323 HydrophobicContact CE2-CB 3.89Å; F231-R323 HydrophobicContact CE2-CG 4.43Å; F231-R323 HydrophobicContact CG-CB 4.31Å; F231-R323 HydrophobicContact CG-CG 3.94Å; F231-R323 HydrophobicContact CZ-CB 3.68Å; F231-R323 HydrophobicContact CZ-CG 4.21Å; C234-R323 HydrophobicContact CB-CG 3.87Å; N235-R323 PolarHBondContact OD1-NE 2.88Å; N235-R323 PolarHBondContact OD1-NH2 3.24Å; S319-R323 PolarHBondContact O-N 3.4Å; C320-R323 PolarHBondContact O-N 2.85Å; R323-D326 WeakPolarHBondContact CD-OD2 3.41Å; R323-D326 IonicContact CZ-OD2 3.73Å; R323-D326 IonicContact NE-OD2 3.06Å; R323-D326 IonicContact NH1-OD2 2.76Å; R323-D326 PolarHBondContact NH1-OD2 3Å; R323-D326 WeakPolarHBondContact O-CB 3.48Å; R323-D326 PolarHBondContact O-N 2.74Å; R323-Y327 PolarHBondContact O-N 2.93Å
324W87.6Confident82.9Confident5 Ų548.7 Ų48.72%0.01925%0.245CC..Hα-helixtrans-66.3-39.5171-178.6-91.4000111.9W209 F233 L237 P258 C320 I321 N322 Y327 C328W209-W324 HydrophobicContact CZ2-CH2 4.15Å; F233-W324 HydrophobicContact CD1-CZ3 4.39Å; F233-W324 HydrophobicContact CE1-CZ3 4.17Å; L237-W324 HydrophobicContact CD1-CH2 4.42Å; L237-W324 HydrophobicContact CD1-CZ3 4.13Å; P258-W324 VanDerWaalsContact CD-CZ2 3.43Å; P258-W324 HydrophobicContact CG-CD2 4.11Å; P258-W324 HydrophobicContact CG-CE3 3.83Å; P258-W324 HydrophobicContact CG-CH2 3.99Å; P258-W324 HydrophobicContact CG-CZ2 4.25Å; P258-W324 HydrophobicContact CG-CZ3 3.76Å; C320-W324 WeakPolarHBondContact O-CB 3.31Å; C320-W324 PolarHBondContact O-N 3.15Å; I321-W324 PolarHBondContact O-N 2.87Å; N322-W324 VanDerWaalsContact C-N 3.33Å; N322-W324 PolarHBondContact O-N 3.49Å; W324-Y327 HydrophobicContact CD2-CD1 4.4Å; W324-Y327 HydrophobicContact CE3-CD1 4.25Å; W324-Y327 AromaticContact CH2-CD1 3.88Å; W324-Y327 HydrophobicContact CH2-CD1 3.88Å; W324-Y327 AromaticContact CH2-CE1 3.68Å; W324-Y327 HydrophobicContact CH2-CE1 3.68Å; W324-Y327 HydrophobicContact CZ2-CD1 4.04Å; W324-Y327 AromaticContact CZ2-CE1 3.93Å; W324-Y327 HydrophobicContact CZ2-CE1 3.93Å; W324-Y327 AromaticContact CZ3-CD1 4Å; W324-Y327 HydrophobicContact CZ3-CD1 4Å; W324-Y327 HydrophobicContact CZ3-CE1 4.18Å; W324-Y327 PolarHBondContact O-N 2.92Å; W324-C328 PolarHBondContact NE1-SG 3.42Å; W324-C328 PolarHBondContact O-N 3.38Å
325N87Confident84.1Confident68 Ų6846 Ų4636%0.36423%0.231SC..Hα-helixtrans-65-38.6176.1-62.9-24000111.7I321 N322 Y327 C328 E329I321-N325 PolarHBondContact O-N 3.27Å; I321-N325 PolarHBondContact O-ND2 3.38Å; I321-N325 PolarHBondContact O-OD1 2.96Å; N322-N325 WeakPolarHBondContact O-CB 3.4Å; N322-N325 PolarHBondContact O-N 3.4Å; N322-N325 VanDerWaalsContact O-N 3.09Å; N325-Y327 VanDerWaalsContact C-N 3.33Å; N325-Y327 PolarHBondContact O-N 3.12Å; N325-C328 WeakPolarHBondContact O-CB 3.41Å; N325-C328 PolarHBondContact O-N 2.85Å; N325-C328 VanDerWaalsContact O-N 3.15Å; N325-E329 PolarHBondContact O-N 3.12Å
326D88.9Confident85Confident68 Ų6842.3 Ų42.336%0.36421%0.213SC..Hα-helixtrans-54.1-49.7172.5-63-19.4000110.9N322 R323 E329 I330N322-D326 PolarHBondContact O-N 2.9Å; R323-D326 WeakPolarHBondContact CD-OD2 3.41Å; R323-D326 IonicContact CZ-OD2 3.73Å; R323-D326 IonicContact NE-OD2 3.06Å; R323-D326 IonicContact NH1-OD2 2.76Å; R323-D326 PolarHBondContact NH1-OD2 3Å; R323-D326 WeakPolarHBondContact O-CB 3.48Å; R323-D326 PolarHBondContact O-N 2.74Å; D326-E329 PolarHBondContact O-N 2.98Å; D326-I330 VanDerWaalsContact O-CG1 3.31Å; D326-I330 WeakPolarHBondContact O-CG1 3.33Å; D326-I330 PolarHBondContact O-N 3.31Å
327Y91Very high85.9Confident1 Ų142.7 Ų42.70%0.00422%0.217CC..Hα-helixtrans-59.7-47.1176.4160-110.3000110.7L237 I238 L241 Q253 R323 W324 N325 E329 I330 A331L237-Y327 HydrophobicContact CB-CD2 3.83Å; L237-Y327 HydrophobicContact CB-CE2 3.6Å; L237-Y327 HydrophobicContact CB-CG 4.48Å; L237-Y327 HydrophobicContact CD1-CD1 4.43Å; L237-Y327 HydrophobicContact CD1-CE1 4.06Å; L237-Y327 HydrophobicContact CD1-CE2 4.35Å; L237-Y327 HydrophobicContact CG-CE2 4.5Å; I238-Y327 HydrophobicContact CG1-CD2 3.93Å; I238-Y327 HydrophobicContact CG1-CG 4.48Å; L241-Y327 HydrophobicContact CD1-CD2 4.49Å; L241-Y327 HydrophobicContact CD1-CE2 4.41Å; L241-Y327 HydrophobicContact CD2-CE2 4.15Å; L241-Y327 HydrophobicContact CG-CE2 4.41Å; Q253-Y327 PolarHBondContact OE1-OH 2.95Å; R323-Y327 PolarHBondContact O-N 2.93Å; W324-Y327 HydrophobicContact CD2-CD1 4.4Å; W324-Y327 HydrophobicContact CE3-CD1 4.25Å; W324-Y327 AromaticContact CH2-CD1 3.88Å; W324-Y327 HydrophobicContact CH2-CD1 3.88Å; W324-Y327 AromaticContact CH2-CE1 3.68Å; W324-Y327 HydrophobicContact CH2-CE1 3.68Å; W324-Y327 HydrophobicContact CZ2-CD1 4.04Å; W324-Y327 AromaticContact CZ2-CE1 3.93Å; W324-Y327 HydrophobicContact CZ2-CE1 3.93Å; W324-Y327 AromaticContact CZ3-CD1 4Å; W324-Y327 HydrophobicContact CZ3-CD1 4Å; W324-Y327 HydrophobicContact CZ3-CE1 4.18Å; W324-Y327 PolarHBondContact O-N 2.92Å; N325-Y327 VanDerWaalsContact C-N 3.33Å; N325-Y327 PolarHBondContact O-N 3.12Å; Y327-E329 VanDerWaalsContact C-N 3.35Å; Y327-E329 PolarHBondContact O-N 2.77Å; Y327-I330 PolarHBondContact O-N 2.86Å; Y327-A331 HydrophobicContact CD2-CB 4.22Å; Y327-A331 HydrophobicContact CE2-CB 3.82Å; Y327-A331 WeakPolarHBondContact O-CB 3.32Å; Y327-A331 PolarHBondContact O-N 3.46Å
328C90.7Very high86.7Confident13 Ų1342.7 Ų42.79%0.08822%0.217CC..Hα-helixtrans-59.4-38.8178-76.70000113.5W324 N325 Q332W324-C328 PolarHBondContact NE1-SG 3.42Å; W324-C328 PolarHBondContact O-N 3.38Å; N325-C328 WeakPolarHBondContact O-CB 3.41Å; N325-C328 PolarHBondContact O-N 2.85Å; N325-C328 VanDerWaalsContact O-N 3.15Å; C328-Q332 WeakPolarHBondContact O-CB 3.48Å; C328-Q332 WeakPolarHBondContact O-CG 3.47Å; C328-Q332 PolarHBondContact O-N 2.99Å
329E90Very high87.1Confident132 Ų13242.9 Ų42.962%0.61721%0.213SC*.Hα-helixtrans-65.4-48.5177.2-170.6-174.214300111.2N325 D326 Y327 A331 Q332 G333N325-E329 PolarHBondContact O-N 3.12Å; D326-E329 PolarHBondContact O-N 2.98Å; Y327-E329 VanDerWaalsContact C-N 3.35Å; Y327-E329 PolarHBondContact O-N 2.77Å; E329-A331 VanDerWaalsContact C-N 3.33Å; E329-A331 PolarHBondContact O-N 2.94Å; E329-Q332 PolarHBondContact O-N 2.8Å; E329-G333 PolarHBondContact O-N 3.15Å; E329-G333 VanDerWaalsContact O-N 3.1Å
330I90Very high87Confident65 Ų6544.9 Ų44.933%0.33322%0.218SC..Hα-helixtrans-64.9-40.8179.3-55.9163.2000110.2I238 L241 D326 Y327 G333 R334I238-I330 HydrophobicContact CD1-CD1 3.88Å; I238-I330 HydrophobicContact CG1-CD1 4.06Å; I238-I330 HydrophobicContact CG2-CD1 4.1Å; L241-I330 HydrophobicContact CD1-CB 4.04Å; L241-I330 HydrophobicContact CD1-CG2 3.58Å; D326-I330 VanDerWaalsContact O-CG1 3.31Å; D326-I330 WeakPolarHBondContact O-CG1 3.33Å; D326-I330 PolarHBondContact O-N 3.31Å; Y327-I330 PolarHBondContact O-N 2.86Å; I330-G333 PolarHBondContact O-N 2.94Å; I330-R334 PolarHBondContact O-N 3.39Å
331A90.1Very high86.8Confident0 Ų050.4 Ų50.40%024%0.244CC..Hα-helixtrans-67.6-33.8177.600000113L241 L250 I254 Y327 E329 R334 L335L241-A331 HydrophobicContact CD1-CB 4.04Å; L241-A331 HydrophobicContact CD2-CB 3.84Å; L250-A331 HydrophobicContact CD1-CB 4.1Å; I254-A331 HydrophobicContact CD1-CB 3.72Å; I254-A331 HydrophobicContact CG1-CB 3.7Å; Y327-A331 HydrophobicContact CD2-CB 4.22Å; Y327-A331 HydrophobicContact CE2-CB 3.82Å; Y327-A331 WeakPolarHBondContact O-CB 3.32Å; Y327-A331 PolarHBondContact O-N 3.46Å; E329-A331 VanDerWaalsContact C-N 3.33Å; E329-A331 PolarHBondContact O-N 2.94Å; A331-R334 PolarHBondContact O-N 3.21Å; A331-L335 WeakPolarHBondContact O-CB 3.45Å; A331-L335 PolarHBondContact O-N 2.85Å
332Q90.7Very high86.1Confident69 Ų6950.9 Ų50.932%0.32225%0.25SS..Hα-helixtrans-66.1-40.7171.5-78.4172.228.700111.5I254 C328 E329 R334 L335 A336I254-Q332 HydrophobicContact CD1-CG 4.28Å; I254-Q332 HydrophobicContact CG2-CG 3.89Å; C328-Q332 WeakPolarHBondContact O-CB 3.48Å; C328-Q332 WeakPolarHBondContact O-CG 3.47Å; C328-Q332 PolarHBondContact O-N 2.99Å; E329-Q332 PolarHBondContact O-N 2.8Å; Q332-R334 PolarHBondContact O-N 3.02Å; Q332-L335 PolarHBondContact O-N 3.45Å; Q332-A336 PolarHBondContact O-N 3.23Å
333G88.8Confident84.8Confident18 Ų1850.8 Ų50.819%0.18625%0.254CS..Hα-helixtrans-56.3-48.4170.600000112E329 I330 L335 A336 E337E329-G333 PolarHBondContact O-N 3.15Å; E329-G333 VanDerWaalsContact O-N 3.1Å; I330-G333 PolarHBondContact O-N 2.94Å; G333-L335 PolarHBondContact O-N 3.43Å; G333-A336 WeakPolarHBondContact O-CB 3.39Å; G333-A336 PolarHBondContact O-N 3.13Å; G333-E337 PolarHBondContact O-N 3.03Å
334R90.4Very high83.5Confident39 Ų3950 Ų5015%0.14726%0.261CS..Hα-helixtrans-62.3-40.2175.5-17856.2177.5172.2-0.4113L241 P242 E244 L250 I330 A331 Q332 A336 E337 L338L241-R334 HydrophobicContact CB-CB 4.43Å; L241-R334 HydrophobicContact CB-CG 4.27Å; L241-R334 HydrophobicContact CD2-CB 4.29Å; L241-R334 HydrophobicContact CD2-CG 4.33Å; L241-R334 WeakPolarHBondContact O-CD 3.5Å; L241-R334 WeakPolarHBondContact O-CG 3.46Å; L241-R334 PolarHBondContact O-NE 3.21Å; P242-R334 PolarHBondContact O-NH2 3.14Å; P242-R334 VanDerWaalsContact O-NH2 3.07Å; E244-R334 PolarHBondContact O-NE 2.9Å; E244-R334 PolarHBondContact O-NH2 3.03Å; L250-R334 HydrophobicContact CD2-CB 4.28Å; L250-R334 HydrophobicContact CD2-CG 3.99Å; I330-R334 PolarHBondContact O-N 3.39Å; A331-R334 PolarHBondContact O-N 3.21Å; Q332-R334 PolarHBondContact O-N 3.02Å; R334-A336 VanDerWaalsContact C-N 3.27Å; R334-A336 PolarHBondContact O-N 3.01Å; R334-E337 WeakPolarHBondContact CD-OE2 3.43Å; R334-E337 IonicContact CZ-OE2 3.13Å; R334-E337 IonicContact NE-OE2 2.8Å; R334-E337 IonicContact NH1-OE2 2.81Å; R334-E337 PolarHBondContact NH1-OE2 3.21Å; R334-E337 WeakPolarHBondContact O-CB 3.22Å; R334-E337 PolarHBondContact O-N 3.38Å; R334-L338 HydrophobicContact CG-CD1 4.34Å; R334-L338 WeakPolarHBondContact O-CG 3.18Å; R334-L338 PolarHBondContact O-N 3.16Å
335L89.5Confident81.9Confident11 Ų1153.7 Ų53.76%0.05828%0.284CS..Hα-helixtrans-64.9-31.9176.3-175.263.6000111.8L247 L250 Q251 I254 A331 Q332 G333 R339L247-L335 HydrophobicContact CB-CD1 4.21Å; L247-L335 HydrophobicContact CD2-CD1 4.31Å; L247-L335 HydrophobicContact CG-CD1 4.46Å; L250-L335 HydrophobicContact CB-CD1 4.46Å; L250-L335 HydrophobicContact CD2-CB 3.92Å; L250-L335 HydrophobicContact CD2-CD1 4.21Å; L250-L335 HydrophobicContact CG-CB 4.4Å; L250-L335 HydrophobicContact CG-CD1 4.4Å; Q251-L335 HydrophobicContact CB-CD1 4.3Å; Q251-L335 HydrophobicContact CB-CD2 3.98Å; Q251-L335 HydrophobicContact CG-CD2 4.26Å; I254-L335 HydrophobicContact CD1-CB 4.22Å; I254-L335 HydrophobicContact CD1-CD2 4.02Å; A331-L335 WeakPolarHBondContact O-CB 3.45Å; A331-L335 PolarHBondContact O-N 2.85Å; Q332-L335 PolarHBondContact O-N 3.45Å; G333-L335 PolarHBondContact O-N 3.43Å; L335-R339 VanDerWaalsContact O-CG 3.24Å; L335-R339 WeakPolarHBondContact O-CG 3.36Å; L335-R339 PolarHBondContact O-N 3.1Å
336A87.6Confident80Confident14 Ų1456.8 Ų56.812%0.11629%0.294CS..Hα-helixtrans-69.4-46.2172.700000112Q332 G333 R334 L338 R339 E340 R405Q332-A336 PolarHBondContact O-N 3.23Å; G333-A336 WeakPolarHBondContact O-CB 3.39Å; G333-A336 PolarHBondContact O-N 3.13Å; R334-A336 VanDerWaalsContact C-N 3.27Å; R334-A336 PolarHBondContact O-N 3.01Å; A336-L338 VanDerWaalsContact C-N 3.33Å; A336-L338 PolarHBondContact O-N 3.26Å; A336-R339 PolarHBondContact O-N 2.79Å; A336-R339 VanDerWaalsContact O-N 3.13Å; A336-E340 PolarHBondContact O-N 2.98Å; A336-R405 HydrophobicContact CB-CG 3.87Å
337E86.6Confident77.6Confident68 Ų6858.8 Ų58.832%0.31830%0.302SS..Hα-helixtrans-52.9-48.9173.7-67167.8-171.900111.4G333 R334 R339 E340 H341G333-E337 PolarHBondContact O-N 3.03Å; R334-E337 WeakPolarHBondContact CD-OE2 3.43Å; R334-E337 IonicContact CZ-OE2 3.13Å; R334-E337 IonicContact NE-OE2 2.8Å; R334-E337 IonicContact NH1-OE2 2.81Å; R334-E337 PolarHBondContact NH1-OE2 3.21Å; R334-E337 WeakPolarHBondContact O-CB 3.22Å; R334-E337 PolarHBondContact O-N 3.38Å; E337-R339 VanDerWaalsContact C-N 3.32Å; E337-R339 PolarHBondContact O-N 3.48Å; E337-E340 PolarHBondContact O-N 2.97Å; E337-H341 PolarHBondContact O-CD2 3.11Å; E337-H341 PolarHBondContact O-N 3.07Å
338L86.3Confident75.4Confident14 Ų1463.5 Ų63.57%0.07333%0.327CS..Hα-helixtrans-65.1-33.3179.8-66.7173000112.9I245 L247 L250 R334 A336 S342I245-L338 HydrophobicContact CB-CD2 4.46Å; L247-L338 HydrophobicContact CD1-CB 4.36Å; L247-L338 HydrophobicContact CD2-CB 3.95Å; L247-L338 HydrophobicContact CG-CB 3.88Å; L250-L338 HydrophobicContact CD2-CD1 4.01Å; R334-L338 HydrophobicContact CG-CD1 4.34Å; R334-L338 WeakPolarHBondContact O-CG 3.18Å; R334-L338 PolarHBondContact O-N 3.16Å; A336-L338 VanDerWaalsContact C-N 3.33Å; A336-L338 PolarHBondContact O-N 3.26Å; L338-S342 WeakPolarHBondContact O-CB 3.43Å; L338-S342 PolarHBondContact O-N 3.26Å
339R84.6Confident73Confident118 Ų11868.4 Ų68.445%0.44535%0.351SS..Hα-helixtrans-69-43.5173.6-74.4171178.2179.6-1.2111.1L247 L335 A336 E337 S342 C343L247-R339 HydrophobicContact CD2-CB 4.36Å; L247-R339 HydrophobicContact CD2-CG 3.49Å; L247-R339 VanDerWaalsContact CD2-CG 3.49Å; L335-R339 VanDerWaalsContact O-CG 3.24Å; L335-R339 WeakPolarHBondContact O-CG 3.36Å; L335-R339 PolarHBondContact O-N 3.1Å; A336-R339 PolarHBondContact O-N 2.79Å; A336-R339 VanDerWaalsContact O-N 3.13Å; E337-R339 VanDerWaalsContact C-N 3.32Å; E337-R339 PolarHBondContact O-N 3.48Å; R339-S342 PolarHBondContact O-N 3.02Å; R339-C343 PolarHBondContact O-N 3.11Å; R339-C343 PolarHBondContact O-SG 2.96Å; R339-C343 VanDerWaalsContact O-SG 3.41Å
340E76.2Confident70.6Confident75 Ų7565.7 Ų65.735%0.3534%0.344SS..Hα-helixtrans-60.4-47.1176.3-167.4169.7151.100110.9A336 E337 S342 C343 A344 W408A336-E340 PolarHBondContact O-N 2.98Å; E337-E340 PolarHBondContact O-N 2.97Å; E340-S342 PolarHBondContact O-N 2.9Å; E340-C343 PolarHBondContact O-N 3.09Å; E340-A344 VanDerWaalsContact O-CB 3.31Å; E340-A344 WeakPolarHBondContact O-CB 3.3Å; E340-A344 PolarHBondContact O-N 3.47Å; E340-W408 PolarHBondContact OE1-NE1 2.9Å; E340-W408 PolarHBondContact OE2-NE1 3.41Å
341H73.4Confident68.1Low116 Ų11665.6 Ų65.654%0.53734%0.344SS..Hα-helixtrans-61.5-38.9174.1-70.3-56.6000113.4E337 T345E337-H341 PolarHBondContact O-CD2 3.11Å; E337-H341 PolarHBondContact O-N 3.07Å; H341-T345 WeakPolarHBondContact O-CB 3.41Å; H341-T345 PolarHBondContact O-N 3.28Å; H341-T345 PolarHBondContact O-OG1 3.01Å
342S67Low65.7Low41 Ų4173.9 Ų73.929%0.28738%0.38SS..Hα-helixtrans-65.5-39.7175.3-1680000112L338 R339 E340 K346L338-S342 WeakPolarHBondContact O-CB 3.43Å; L338-S342 PolarHBondContact O-N 3.26Å; R339-S342 PolarHBondContact O-N 3.02Å; E340-S342 PolarHBondContact O-N 2.9Å; S342-K346 WeakPolarHBondContact O-CD 3.37Å; S342-K346 WeakPolarHBondContact O-CG 3.35Å; S342-K346 PolarHBondContact O-N 3.42Å; S342-K346 PolarHBondContact OG-NZ 3.23Å; S342-K346 VanDerWaalsContact OG-NZ 3.12Å
343C58.8Low63.1Low73 Ų7379.7 Ų79.749%0.49340%0.404SS..Hα-helixtrans-70.4-46.7176.2-71.10000111.9R339 E340 T345 K346 M347R339-C343 PolarHBondContact O-N 3.11Å; R339-C343 PolarHBondContact O-SG 2.96Å; R339-C343 VanDerWaalsContact O-SG 3.41Å; E340-C343 PolarHBondContact O-N 3.09Å; C343-T345 VanDerWaalsContact C-N 3.33Å; C343-T345 PolarHBondContact O-N 3.08Å; C343-K346 WeakPolarHBondContact O-CB 3.4Å; C343-K346 PolarHBondContact O-N 3.34Å; C343-K346 VanDerWaalsContact O-N 3.1Å; C343-M347 PolarHBondContact O-N 2.81Å
344A57.6Low60.8Low43 Ų4385.2 Ų85.236%0.35543%0.428SS..Hα-helixtrans-59.3-42.1176.900000111.9E340 K346 M347 I348E340-A344 VanDerWaalsContact O-CB 3.31Å; E340-A344 WeakPolarHBondContact O-CB 3.3Å; E340-A344 PolarHBondContact O-N 3.47Å; A344-K346 VanDerWaalsContact C-N 3.31Å; A344-K346 PolarHBondContact O-N 3.17Å; A344-M347 PolarHBondContact O-N 3.02Å; A344-I348 WeakPolarHBondContact O-CB 3.39Å; A344-I348 WeakPolarHBondContact O-CD1 3.44Å; A344-I348 VanDerWaalsContact O-CG1 3.26Å; A344-I348 WeakPolarHBondContact O-CG1 3.4Å; A344-I348 PolarHBondContact O-N 2.99Å
345T55.6Low58.1Low82 Ų8287 Ų8750%0.50345%0.447SS..Hα-helixtrans-61.9-39.1175.4-55.10000111.8H341 C343 I349H341-T345 WeakPolarHBondContact O-CB 3.41Å; H341-T345 PolarHBondContact O-N 3.28Å; H341-T345 PolarHBondContact O-OG1 3.01Å; C343-T345 VanDerWaalsContact C-N 3.33Å; C343-T345 PolarHBondContact O-N 3.08Å; T345-I349 HydrophobicContact CG2-CD1 4.37Å; T345-I349 WeakPolarHBondContact O-CD1 3.35Å; T345-I349 VanDerWaalsContact O-CG1 3.3Å; T345-I349 WeakPolarHBondContact O-CG1 3.3Å; T345-I349 PolarHBondContact O-N 2.87Å
346K46Very low55.2Low132 Ų13294.8 Ų94.857%0.57449%0.488SS*.Hα-helixtrans-68.8-41.2175-72.4163.2-176.91520112.1S342 C343 A344 I349 T350S342-K346 WeakPolarHBondContact O-CD 3.37Å; S342-K346 WeakPolarHBondContact O-CG 3.35Å; S342-K346 PolarHBondContact O-N 3.42Å; S342-K346 PolarHBondContact OG-NZ 3.23Å; S342-K346 VanDerWaalsContact OG-NZ 3.12Å; C343-K346 WeakPolarHBondContact O-CB 3.4Å; C343-K346 PolarHBondContact O-N 3.34Å; C343-K346 VanDerWaalsContact O-N 3.1Å; A344-K346 VanDerWaalsContact C-N 3.31Å; A344-K346 PolarHBondContact O-N 3.17Å; K346-I349 PolarHBondContact O-N 3.5Å; K346-T350 PolarHBondContact O-N 3.47Å; K346-T350 VanDerWaalsContact O-N 3.1Å
347M39.5Very low52.6Low110 Ų11099.5 Ų99.554%0.54252%0.519SS..Hα-helixtrans-65.3-42.6176.5-71.5-17071.700111.9C343 A344 I349 T350 D351C343-M347 PolarHBondContact O-N 2.81Å; A344-M347 PolarHBondContact O-N 3.02Å; M347-I349 PolarHBondContact O-N 2.84Å; M347-I349 VanDerWaalsContact O-N 3.15Å; M347-T350 WeakPolarHBondContact CA-OG1 3.4Å; M347-T350 CarbonylContact O-C 3.39Å; M347-T350 PolarHBondContact O-N 3.23Å; M347-T350 PolarHBondContact O-OG1 3.5Å; M347-D351 VanDerWaalsContact O-CB 3.32Å; M347-D351 WeakPolarHBondContact O-CB 3.4Å; M347-D351 PolarHBondContact O-N 2.94Å
348I43.8Very low49.9Very low101 Ų101102.6 Ų102.652%0.51855%0.545SS..Hα-helixtrans-59.2-30.2174.3-68.7162.5000111.9A344 K352A344-I348 WeakPolarHBondContact O-CB 3.39Å; A344-I348 WeakPolarHBondContact O-CD1 3.44Å; A344-I348 VanDerWaalsContact O-CG1 3.26Å; A344-I348 WeakPolarHBondContact O-CG1 3.4Å; A344-I348 PolarHBondContact O-N 2.99Å; I348-K352 WeakPolarHBondContact O-CB 3.47Å; I348-K352 WeakPolarHBondContact O-CG 3.27Å; I348-K352 PolarHBondContact O-N 3.1Å; I348-K352 VanDerWaalsContact O-N 3.17Å
349I40.3Very low47.3Very low115 Ų115106 Ų10659%0.5958%0.584SS**Hα-helixtrans-77.6-30.5175.8-67.9166.3000112.3T345 K346 M347T345-I349 HydrophobicContact CG2-CD1 4.37Å; T345-I349 WeakPolarHBondContact O-CD1 3.35Å; T345-I349 VanDerWaalsContact O-CG1 3.3Å; T345-I349 WeakPolarHBondContact O-CG1 3.3Å; T345-I349 PolarHBondContact O-N 2.87Å; K346-I349 PolarHBondContact O-N 3.5Å; M347-I349 PolarHBondContact O-N 2.84Å; M347-I349 VanDerWaalsContact O-N 3.15Å
350T39.8Very low45.2Very low76 Ų76105 Ų10547%0.46660%0.6SS.*Hα-helixtrans-80-40.1172520000112.5K346 M347 K352 K353K346-T350 PolarHBondContact O-N 3.47Å; K346-T350 VanDerWaalsContact O-N 3.1Å; M347-T350 WeakPolarHBondContact CA-OG1 3.4Å; M347-T350 CarbonylContact O-C 3.39Å; M347-T350 PolarHBondContact O-N 3.23Å; M347-T350 PolarHBondContact O-OG1 3.5Å; T350-K352 VanDerWaalsContact C-N 3.34Å; T350-K352 PolarHBondContact O-N 3.09Å; T350-K353 WeakPolarHBondContact O-CB 3.42Å; T350-K353 PolarHBondContact O-N 3.49Å
351D38.3Very low44.1Very low63 Ų63107.2 Ų107.234%0.33762%0.624SS.*Hα-helixtrans-74.5-26.4-175.3-61.8-19.3000111.5M347 K353 I354 S355M347-D351 VanDerWaalsContact O-CB 3.32Å; M347-D351 WeakPolarHBondContact O-CB 3.4Å; M347-D351 PolarHBondContact O-N 2.94Å; D351-K353 PolarHBondContact O-N 2.86Å; D351-I354 CarbonylContact O-C 3.57Å; D351-I354 PolarHBondContact O-N 2.83Å; D351-S355 WeakPolarHBondContact O-CB 3.3Å; D351-S355 PolarHBondContact O-N 3.21Å; D351-S355 PolarHBondContact O-OG 3.1Å
352K38.4Very low43.8Very low173 Ų173106.4 Ų106.475%0.75263%0.627SS**THydrogen-bonded Turntrans-63.3-0.9164.1-86.6-172.1172.1-176.20115I348 T350I348-K352 WeakPolarHBondContact O-CB 3.47Å; I348-K352 WeakPolarHBondContact O-CG 3.27Å; I348-K352 PolarHBondContact O-N 3.1Å; I348-K352 VanDerWaalsContact O-N 3.17Å; T350-K352 VanDerWaalsContact C-N 3.34Å; T350-K352 PolarHBondContact O-N 3.09Å
353K37.3Very low44.4Very low191 Ų191106.1 Ų106.183%0.8362%0.624SS**THydrogen-bonded Turntrans-108.66.7165.7-67.7-173.8172.3-177.30113.7T350 D351T350-K353 WeakPolarHBondContact O-CB 3.42Å; T350-K353 PolarHBondContact O-N 3.49Å; D351-K353 PolarHBondContact O-N 2.86Å
354I40.4Very low45.3Very low134 Ų134107.2 Ų107.269%0.68763%0.63SS**THydrogen-bonded Turntrans-133.3-31.5-172.6-57.8178.8000112.1D351 D356D351-I354 CarbonylContact O-C 3.57Å; D351-I354 PolarHBondContact O-N 2.83Å; I354-D356 PolarHBondContact O-N 2.96Å
355S32.9Very low46.5Very low78 Ų78105.8 Ų105.855%0.54562%0.619SS.*  trans-93.652-166.877.50000115.9D351 C357D351-S355 WeakPolarHBondContact O-CB 3.3Å; D351-S355 PolarHBondContact O-N 3.21Å; D351-S355 PolarHBondContact O-OG 3.1Å; S355-C357 PolarHBondContact O-N 3.32Å
356D29.8Very low48Very low173 Ų173102.9 Ų102.993%0.92560%0.599SS**  trans-77.257.5163-88.3-35.2000110.7I354I354-D356 PolarHBondContact O-N 2.96Å
357C33Very low49.9Very low114 Ų114100 Ų10077%0.7760%0.596SS**  trans-159.6104.9178.7-139.20000112.4S355S355-C357 PolarHBondContact O-N 3.32Å
358P29.4Very low52.2Low133 Ų13396.7 Ų96.786%0.86458%0.58SS**  trans-87.9139.4175.833.6-32.1000111.8
359G32Very low54.3Low86 Ų8691.9 Ų91.989%0.88756%0.556SS**  trans160.2-18.316300000120
360A40.8Very low56.5Low95 Ų9588.9 Ų88.979%0.78554%0.541SS*.  trans-133.7105.1-173.100000113.1
361S51.2Low58.8Low123 Ų12389.2 Ų89.286%0.8654%0.539SS*.  trans-85.1106.1163.855.60000109.4
362T68Low61.3Low98 Ų9886.3 Ų86.360%0.60152%0.524SS*.PPolyproline II helixtrans-70.4156.5172.245.20000111.6
363T78.9Confident63.8Low35 Ų3578 Ų7822%0.21549%0.488CS..PPolyproline II helixtrans-61.3131.8173.1-63.40000109.8G365 W366 A416 A420 P421 E422T363-G365 PolarHBondContact O-N 2.97Å; T363-W366 WeakPolarHBondContact O-CB 3.48Å; T363-W366 PolarHBondContact O-N 2.64Å; T363-A416 HydrophobicContact CG2-CB 4.09Å; T363-A420 HydrophobicContact CG2-CB 3.92Å; T363-P421 WeakPolarHBondContact OG1-CD 3.28Å; T363-E422 WeakPolarHBondContact CB-OE2 3.45Å; T363-E422 PolarHBondContact N-OE1 2.96Å; T363-E422 PolarHBondContact OG1-OE1 2.92Å; T363-E422 PolarHBondContact OG1-OE2 3.43Å
364P78.7Confident66.1Low96 Ų9672.5 Ų72.562%0.62347%0.467SS*.THydrogen-bonded Turntrans-53.9127.1178.1-29.736.9000112.9W366 T412P364-W366 VanDerWaalsContact C-N 3.31Å; P364-T412 HydrophobicContact CB-CG2 3.99Å; P364-T412 VanDerWaalsContact O-CG2 3.3Å; P364-T412 WeakPolarHBondContact O-CG2 3.32Å
365G81.9Confident68.4Low13 Ų1369 Ų6913%0.13445%0.448CS..THydrogen-bonded Turntrans77.35.7-176.100000115.8T363 S367 D368 V369T363-G365 PolarHBondContact O-N 2.97Å; G365-S367 VanDerWaalsContact C-N 3.28Å; G365-S367 PolarHBondContact O-N 3.42Å; G365-D368 PolarHBondContact O-N 2.86Å; G365-V369 WeakPolarHBondContact O-CG2 3.47Å; G365-V369 PolarHBondContact O-N 3.44Å; G365-V369 VanDerWaalsContact O-N 3.15Å
366W88.6Confident70.9Confident21 Ų2165.3 Ų65.38%0.0842%0.422CS..Hα-helixtrans-64.8-30.9176.5-178.9-112000113.1T363 P364 D368 V369 L370 A420 E422 I423 L426T363-W366 WeakPolarHBondContact O-CB 3.48Å; T363-W366 PolarHBondContact O-N 2.64Å; P364-W366 VanDerWaalsContact C-N 3.31Å; W366-D368 VanDerWaalsContact C-N 3.32Å; W366-D368 PolarHBondContact O-N 3.28Å; W366-V369 HydrophobicContact CE3-CB 4.22Å; W366-V369 HydrophobicContact CE3-CG1 3.96Å; W366-V369 HydrophobicContact CZ3-CG1 3.8Å; W366-V369 PolarHBondContact O-N 2.94Å; W366-L370 VanDerWaalsContact O-CB 3.24Å; W366-L370 WeakPolarHBondContact O-CB 3.36Å; W366-L370 PolarHBondContact O-N 2.82Å; W366-A420 HydrophobicContact CD2-CB 4.42Å; W366-A420 HydrophobicContact CE3-CB 3.59Å; W366-A420 HydrophobicContact CZ3-CB 3.77Å; W366-E422 HydrophobicContact CD2-CB 3.8Å; W366-E422 HydrophobicContact CD2-CG 4.28Å; W366-E422 HydrophobicContact CE3-CB 4.34Å; W366-E422 HydrophobicContact CG-CB 4.33Å; W366-E422 HydrophobicContact CG-CG 4.29Å; W366-E422 HydrophobicContact CH2-CB 3.95Å; W366-E422 HydrophobicContact CZ2-CB 3.35Å; W366-E422 HydrophobicContact CZ2-CG 4.5Å; W366-E422 HydrophobicContact CZ3-CB 4.41Å; W366-I423 HydrophobicContact CH2-CG1 3.83Å; W366-I423 HydrophobicContact CZ3-CG1 3.75Å; W366-L426 HydrophobicContact CH2-CD1 4.13Å; W366-L426 HydrophobicContact CH2-CD2 4Å; W366-L426 HydrophobicContact CH2-CG 4.17Å; W366-L426 HydrophobicContact CZ2-CD2 3.78Å; W366-L426 HydrophobicContact CZ2-CG 4.31Å
367S85.9Confident73.5Confident72 Ų7258 Ų5850%0.50339%0.386SS..Hα-helixtrans-52.6-49.7171.8330000112.3G365 L370 N371G365-S367 VanDerWaalsContact C-N 3.28Å; G365-S367 PolarHBondContact O-N 3.42Å; S367-L370 PolarHBondContact O-N 3.25Å; S367-N371 VanDerWaalsContact O-CG 3.29Å; S367-N371 PolarHBondContact O-N 3.47Å
368D86.3Confident75.9Confident40 Ų4055 Ų5521%0.21437%0.37CS..Hα-helixtrans-74.6-42.2-173.8-45.2-97.3000109.7G365 W366 L370 N371 W372 W408 L413G365-D368 PolarHBondContact O-N 2.86Å; W366-D368 VanDerWaalsContact C-N 3.32Å; W366-D368 PolarHBondContact O-N 3.28Å; D368-L370 VanDerWaalsContact C-N 3.32Å; D368-L370 PolarHBondContact O-N 3.18Å; D368-N371 WeakPolarHBondContact O-CB 3.49Å; D368-N371 PolarHBondContact O-N 3.1Å; D368-W372 PolarHBondContact O-N 2.67Å; D368-W408 HydrophobicContact CB-CH2 4.4Å; D368-L413 HydrophobicContact CB-CD2 4.16Å
369V87.6Confident78.2Confident0 Ų051.5 Ų51.50%034%0.342CS..Hα-helixtrans-58.7-42.4170.6171.70000111.5G365 W366 W372 L373 L413 A416 L417G365-V369 WeakPolarHBondContact O-CG2 3.47Å; G365-V369 PolarHBondContact O-N 3.44Å; G365-V369 VanDerWaalsContact O-N 3.15Å; W366-V369 HydrophobicContact CE3-CB 4.22Å; W366-V369 HydrophobicContact CE3-CG1 3.96Å; W366-V369 HydrophobicContact CZ3-CG1 3.8Å; W366-V369 PolarHBondContact O-N 2.94Å; V369-W372 HydrophobicContact CG2-CE3 4.4Å; V369-W372 WeakPolarHBondContact O-CB 3.31Å; V369-W372 PolarHBondContact O-N 2.82Å; V369-L373 HydrophobicContact CG1-CD1 4.36Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 3.4Å; V369-L373 PolarHBondContact O-N 2.73Å; V369-L413 HydrophobicContact CG2-CB 4.44Å; V369-L413 HydrophobicContact CG2-CD2 4.48Å; V369-A416 HydrophobicContact CG2-CB 4.06Å; V369-L417 HydrophobicContact CG1-CB 4.23Å; V369-L417 HydrophobicContact CG1-CD1 4.05Å; V369-L417 HydrophobicContact CG2-CB 4.25Å
370L88.1Confident79.9Confident53 Ų5349.9 Ų49.928%0.27731%0.311SS..Hα-helixtrans-66.6-39.6177.8-175.561.1000111.7W366 S367 D368 W372 L373 N374 L426 L430W366-L370 VanDerWaalsContact O-CB 3.24Å; W366-L370 WeakPolarHBondContact O-CB 3.36Å; W366-L370 PolarHBondContact O-N 2.82Å; S367-L370 PolarHBondContact O-N 3.25Å; D368-L370 VanDerWaalsContact C-N 3.32Å; D368-L370 PolarHBondContact O-N 3.18Å; L370-W372 VanDerWaalsContact C-N 3.32Å; L370-W372 PolarHBondContact O-N 3.2Å; L370-L373 PolarHBondContact O-N 3.17Å; L370-N374 WeakPolarHBondContact O-CB 3.28Å; L370-N374 VanDerWaalsContact O-CG 3.23Å; L370-N374 PolarHBondContact O-N 3.12Å; L370-N374 PolarHBondContact O-ND2 2.87Å; L370-N374 VanDerWaalsContact O-ND2 3.13Å; L370-L426 HydrophobicContact CD1-CD2 4.26Å; L370-L430 HydrophobicContact CD1-CD1 4.12Å
371N88.1Confident80.9Confident82 Ų8250.8 Ų50.844%0.43931%0.306SS..Hα-helixtrans-59.3-41.8171.9-70.8-15.1000111.8S367 D368 N374 E375S367-N371 VanDerWaalsContact O-CG 3.29Å; S367-N371 PolarHBondContact O-N 3.47Å; D368-N371 WeakPolarHBondContact O-CB 3.49Å; D368-N371 PolarHBondContact O-N 3.1Å; N371-N374 WeakPolarHBondContact O-CB 3.43Å; N371-N374 PolarHBondContact O-N 3.27Å; N371-E375 PolarHBondContact O-N 3.35Å
372W90.2Very high81.2Confident2 Ų251 Ų511%0.00830%0.302CS..Hα-helixtrans-64.3-40.6176.4-64.5-2.4000113.1D368 V369 L370 N374 E375 I376 P395 E397 W398 A401 L409 L413 L437D368-W372 PolarHBondContact O-N 2.67Å; V369-W372 HydrophobicContact CG2-CE3 4.4Å; V369-W372 WeakPolarHBondContact O-CB 3.31Å; V369-W372 PolarHBondContact O-N 2.82Å; L370-W372 VanDerWaalsContact C-N 3.32Å; L370-W372 PolarHBondContact O-N 3.2Å; W372-N374 VanDerWaalsContact C-N 3.33Å; W372-E375 PolarHBondContact O-N 3.02Å; W372-I376 PolarHBondContact O-N 3.15Å; W372-I376 VanDerWaalsContact O-N 3.13Å; W372-P395 HydrophobicContact CB-CB 4.26Å; W372-P395 HydrophobicContact CB-CG 3.86Å; W372-P395 HydrophobicContact CG-CB 4.07Å; W372-P395 HydrophobicContact CG-CG 4.11Å; W372-E397 PolarHBondContact NE1-OE2 2.57Å; W372-W398 HydrophobicContact CD2-CB 4.33Å; W372-W398 AromaticContact CE3-CD1 3.63Å; W372-W398 HydrophobicContact CH2-CB 4.28Å; W372-W398 AromaticContact CH2-CD1 3.59Å; W372-W398 HydrophobicContact CH2-CG 4.16Å; W372-W398 HydrophobicContact CZ2-CB 4.12Å; W372-W398 HydrophobicContact CZ2-CG 4.49Å; W372-W398 AromaticContact CZ3-CD1 3.29Å; W372-W398 HydrophobicContact CZ3-CG 4.23Å; W372-W398 AromaticContact CZ3-NE1 3.93Å; W372-A401 HydrophobicContact CH2-CB 4.26Å; W372-A401 HydrophobicContact CZ2-CB 4.09Å; W372-L409 HydrophobicContact CH2-CD1 3.84Å; W372-L409 HydrophobicContact CZ3-CD1 4.3Å; W372-L413 HydrophobicContact CH2-CB 3.97Å; W372-L413 HydrophobicContact CH2-CD1 3.28Å; W372-L413 HydrophobicContact CH2-CG 4.25Å; W372-L413 HydrophobicContact CZ2-CD1 3.57Å; W372-L413 HydrophobicContact CZ3-CB 4.09Å; W372-L413 HydrophobicContact CZ3-CD1 4.15Å; W372-L437 HydrophobicContact CB-CD2 4.28Å; W372-L437 HydrophobicContact CE3-CD2 4.27Å
373L89.8Confident80.3Confident0 Ų048.7 Ų48.70%030%0.299CS..Hα-helixtrans-66.2-37.2174.7-64178.1000111.3V369 L370 I376 A377 L426 L430 A433 R434 L437V369-L373 HydrophobicContact CG1-CD1 4.36Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 3.4Å; V369-L373 PolarHBondContact O-N 2.73Å; L370-L373 PolarHBondContact O-N 3.17Å; L373-I376 PolarHBondContact O-N 3.09Å; L373-A377 WeakPolarHBondContact O-CB 3.33Å; L373-A377 PolarHBondContact O-N 2.81Å; L373-L426 HydrophobicContact CD1-CD1 3.76Å; L373-L426 HydrophobicContact CD1-CD2 4.13Å; L373-L430 HydrophobicContact CB-CD2 3.84Å; L373-A433 HydrophobicContact CD2-CB 4.39Å; L373-A433 WeakPolarHBondContact O-CB 3.37Å; L373-R434 HydrophobicContact CD2-CB 3.56Å; L373-R434 HydrophobicContact CD2-CG 4.26Å; L373-L437 HydrophobicContact CD2-CD2 4.41Å
374N87.4Confident78.5Confident74 Ų7454.6 Ų54.640%0.39633%0.329SS..Hα-helixtrans-67-41.1173.1-69.2-33.3000112.3L370 N371 W372 I376 A377 A378 L430L370-N374 WeakPolarHBondContact O-CB 3.28Å; L370-N374 VanDerWaalsContact O-CG 3.23Å; L370-N374 PolarHBondContact O-N 3.12Å; L370-N374 PolarHBondContact O-ND2 2.87Å; L370-N374 VanDerWaalsContact O-ND2 3.13Å; N371-N374 WeakPolarHBondContact O-CB 3.43Å; N371-N374 PolarHBondContact O-N 3.27Å; W372-N374 VanDerWaalsContact C-N 3.33Å; N374-I376 VanDerWaalsContact C-N 3.31Å; N374-I376 PolarHBondContact O-N 2.66Å; N374-A377 PolarHBondContact O-N 2.94Å; N374-A378 WeakPolarHBondContact O-CB 3.5Å; N374-A378 PolarHBondContact O-N 2.58Å; N374-L430 WeakPolarHBondContact OD1-CD2 3.15Å
375E87.1Confident76.5Confident62 Ų6255.5 Ų55.529%0.2934%0.337SS..Hα-helixtrans-59.2-43.5175.6-161.7-167.2129.700110.4N371 W372 A378 Q379 P395 S396N371-E375 PolarHBondContact O-N 3.35Å; W372-E375 PolarHBondContact O-N 3.02Å; E375-A378 PolarHBondContact O-N 3.45Å; E375-Q379 WeakPolarHBondContact O-CG 3.27Å; E375-Q379 PolarHBondContact O-N 3.45Å; E375-P395 WeakPolarHBondContact OE1-CA 3.4Å; E375-P395 WeakPolarHBondContact OE2-CA 3.31Å; E375-P395 WeakPolarHBondContact OE2-CB 3.33Å; E375-S396 PolarHBondContact OE2-N 2.85Å; E375-S396 PolarHBondContact OE2-OG 2.84Å
376I86.1Confident74.5Confident0 Ų058.1 Ų58.10%036%0.364CS..Hα-helixtrans-73.6-39.6179.5-70.2168.7000112.1W372 L373 N374 A378 Q379 H380 P395 A433 Q436 L437W372-I376 PolarHBondContact O-N 3.15Å; W372-I376 VanDerWaalsContact O-N 3.13Å; L373-I376 PolarHBondContact O-N 3.09Å; N374-I376 VanDerWaalsContact C-N 3.31Å; N374-I376 PolarHBondContact O-N 2.66Å; I376-A378 PolarHBondContact O-N 3Å; I376-Q379 WeakPolarHBondContact O-CB 3.3Å; I376-Q379 PolarHBondContact O-N 3.2Å; I376-Q379 VanDerWaalsContact O-N 3.1Å; I376-H380 PolarHBondContact O-CD2 3.25Å; I376-H380 VanDerWaalsContact O-CD2 3.28Å; I376-H380 PolarHBondContact O-N 3.32Å; I376-P395 HydrophobicContact CD1-CG 3.88Å; I376-P395 HydrophobicContact CG1-CG 4.14Å; I376-A433 HydrophobicContact CB-CB 4.13Å; I376-A433 HydrophobicContact CG2-CB 3.79Å; I376-Q436 HydrophobicContact CG2-CB 3.96Å; I376-L437 HydrophobicContact CD1-CB 3.53Å; I376-L437 HydrophobicContact CD1-CD1 3.78Å; I376-L437 HydrophobicContact CD1-CD2 4.37Å; I376-L437 HydrophobicContact CD1-CG 4.06Å
377A85Confident72.2Confident20 Ų2061.4 Ų61.417%0.16541%0.405CS..Hα-helixtrans-58.1-40.7172.500000111.3L373 N374 H380 T381 L430 A433L373-A377 WeakPolarHBondContact O-CB 3.33Å; L373-A377 PolarHBondContact O-N 2.81Å; N374-A377 PolarHBondContact O-N 2.94Å; A377-H380 PolarHBondContact O-N 2.91Å; A377-T381 PolarHBondContact O-N 3.15Å; A377-T381 VanDerWaalsContact O-N 3.12Å; A377-L430 HydrophobicContact CB-CD2 4.2Å; A377-A433 HydrophobicContact CB-CB 4.34Å
378A83.3Confident70.3Confident51 Ų5165.1 Ų65.142%0.42142%0.419SS..Hα-helixtrans-67.6-31.7174.300000113.8N374 E375 I376 H380 T381 V382N374-A378 WeakPolarHBondContact O-CB 3.5Å; N374-A378 PolarHBondContact O-N 2.58Å; E375-A378 PolarHBondContact O-N 3.45Å; I376-A378 PolarHBondContact O-N 3Å; A378-H380 VanDerWaalsContact C-N 3.27Å; A378-H380 PolarHBondContact O-N 3.41Å; A378-T381 PolarHBondContact O-OG1 3.37Å; A378-V382 WeakPolarHBondContact O-CG2 3.4Å
379Q77.1Confident68.6Low59 Ų5969.3 Ų69.328%0.27644%0.44SS..Hα-helixtrans-62.4-35.1170.6-71.3176.838.400111.7E375 I376 R393E375-Q379 WeakPolarHBondContact O-CG 3.27Å; E375-Q379 PolarHBondContact O-N 3.45Å; I376-Q379 WeakPolarHBondContact O-CB 3.3Å; I376-Q379 PolarHBondContact O-N 3.2Å; I376-Q379 VanDerWaalsContact O-N 3.1Å; Q379-R393 PolarHBondContact NE2-O 2.99Å; Q379-R393 PolarHBondContact OE1-O 3.01Å
380H68.4Low66.9Low52 Ų5273 Ų7324%0.24146%0.464CS..Hα-helixtrans-78.5-39.1180-76.7-70.7000113.9I376 A377 A378 V382 G383 F432 Q436I376-H380 PolarHBondContact O-CD2 3.25Å; I376-H380 VanDerWaalsContact O-CD2 3.28Å; I376-H380 PolarHBondContact O-N 3.32Å; A377-H380 PolarHBondContact O-N 2.91Å; A378-H380 VanDerWaalsContact C-N 3.27Å; A378-H380 PolarHBondContact O-N 3.41Å; H380-V382 PolarHBondContact O-N 3.11Å; H380-G383 PolarHBondContact O-N 2.88Å; H380-F432 AromaticContact CD2-CE1 3.98Å; H380-F432 AromaticContact CE1-CE1 3.77Å; H380-F432 AromaticContact ND1-CE1 3.94Å; H380-F432 AromaticContact NE2-CE1 3.79Å; H380-Q436 WeakPolarHBondContact NE2-CG 3.42Å
381T61.3Low65.7Low113 Ų11380.2 Ų80.269%0.69349%0.493SS*.Hα-helixtrans-69-14.1179.754.30000114.3A377 A378A377-T381 PolarHBondContact O-N 3.15Å; A377-T381 VanDerWaalsContact O-N 3.12Å; A378-T381 PolarHBondContact O-OG1 3.37Å
382V56.8Low64.7Low127 Ų12777.1 Ų77.177%0.7748%0.478SS*.THydrogen-bonded Turntrans-101.1-12.8176.7-179.40000112.4A378 H380A378-V382 WeakPolarHBondContact O-CG2 3.4Å; H380-V382 PolarHBondContact O-N 3.11Å
383G49.1Very low64.2Low51 Ų5185.7 Ų85.753%0.52651%0.51SS..  trans-98.87.8-167.200000117.1H380 S385H380-G383 PolarHBondContact O-N 2.88Å; G383-S385 VanDerWaalsContact C-N 3.32Å; G383-S385 PolarHBondContact O-N 2.81Å
384D40.8Very low63.9Low158 Ų15886.5 Ų86.585%0.84551%0.514SS*.  trans-78.768.7-164.9-162.218.4000114.3
385S38.1Very low63.8Low115 Ų11583 Ų8380%0.80450%0.496SS*.SBendtrans-154.961.4174.250.50000115G383G383-S385 VanDerWaalsContact C-N 3.32Å; G383-S385 PolarHBondContact O-N 2.81Å
386G40.1Very low63.5Low68 Ų6883.5 Ų83.570%0.70151%0.506SS*.  trans127.2107.2146.400000119.2D388G386-D388 PolarHBondContact O-N 2.96Å
387G39.3Very low63.4Low91 Ų9187.4 Ų87.494%0.93852%0.524SS*.SBendtrans78.3-56.413800000118.5
388D46.8Very low63.4Low150 Ų15086.5 Ų86.580%0.80252%0.517SS*.SBendtrans-93.7142.3-176-77.7-44.8000111.3G386 P390G386-D388 PolarHBondContact O-N 2.96Å; D388-P390 VanDerWaalsContact O-CD 3.28Å; D388-P390 WeakPolarHBondContact O-CD 3.4Å; D388-P390 VanDerWaalsContact O-N 3.1Å
389I50.2Low63.4Low128 Ų12886.9 Ų86.966%0.65651%0.511SS*.  trans-61.3114.5176.1-58.6171.7000108K391I389-K391 PolarHBondContact O-N 2.85Å
390P52.5Low63.6Low76 Ų7688 Ų8849%0.49452%0.517SS..  trans-65.2133.2-176.526.8-34000109.2D388 C392D388-P390 VanDerWaalsContact O-CD 3.28Å; D388-P390 WeakPolarHBondContact O-CD 3.4Å; D388-P390 VanDerWaalsContact O-N 3.1Å; P390-C392 PolarHBondContact O-N 3.34Å
391K61.3Low64.2Low206 Ų20685.7 Ų85.790%0.89651%0.506SS*.  trans-6796.2173.9-71.6-178.6177.9178.30108.7I389 R393I389-K391 PolarHBondContact O-N 2.85Å; K391-R393 PolarHBondContact O-N 3.3Å; K391-R393 VanDerWaalsContact O-N 3.16Å
392C68.8Low65.3Low17 Ų1782 Ų8212%0.11548%0.483CS..PPolyproline II helixtrans-46.8120.3176.9-178.20000110P390 L394 Q436P390-C392 PolarHBondContact O-N 3.34Å; C392-L394 PolarHBondContact O-N 3.01Å; C392-Q436 HydrophobicContact CB-CB 4.41Å
393R78.2Confident66.3Low182 Ų18281.6 Ų81.669%0.68748%0.476SS*.PPolyproline II helixtrans-79.7120176.2179.2179.6175.8176.4-1.8107.4Q379 K391Q379-R393 PolarHBondContact NE2-O 2.99Å; Q379-R393 PolarHBondContact OE1-O 3.01Å; K391-R393 PolarHBondContact O-N 3.3Å; K391-R393 VanDerWaalsContact O-N 3.16Å
394L84.1Confident67.6Low17 Ų1784.1 Ų84.19%0.08947%0.472CS..PPolyproline II helixtrans-52.9133.3174.2-71.5173.3000109.8C392 W398 N399 L437 I441 A444 L446C392-L394 PolarHBondContact O-N 3.01Å; L394-W398 HydrophobicContact CB-CE3 4.32Å; L394-W398 HydrophobicContact CD1-CE3 3.87Å; L394-W398 HydrophobicContact CD1-CZ3 3.87Å; L394-W398 HydrophobicContact CD2-CD2 4.35Å; L394-W398 HydrophobicContact CD2-CE3 4.39Å; L394-W398 HydrophobicContact CG-CE3 4.43Å; L394-N399 PolarHBondContact O-ND2 3.38Å; L394-L437 HydrophobicContact CD2-CD1 3.96Å; L394-I441 HydrophobicContact CD2-CG1 3.71Å; L394-A444 HydrophobicContact CD1-CB 3.88Å; L394-L446 HydrophobicContact CD1-CD1 4.46Å
395P85.7Confident69.3Low0 Ų079.6 Ų79.60%044%0.443CS..PPolyproline II helixtrans-52.4147.8-176.5-29.435000112.8W372 E375 I376 E397 W398 N399 L437W372-P395 HydrophobicContact CB-CB 4.26Å; W372-P395 HydrophobicContact CB-CG 3.86Å; W372-P395 HydrophobicContact CG-CB 4.07Å; W372-P395 HydrophobicContact CG-CG 4.11Å; E375-P395 WeakPolarHBondContact OE1-CA 3.4Å; E375-P395 WeakPolarHBondContact OE2-CA 3.31Å; E375-P395 WeakPolarHBondContact OE2-CB 3.33Å; I376-P395 HydrophobicContact CD1-CG 3.88Å; I376-P395 HydrophobicContact CG1-CG 4.14Å; P395-E397 VanDerWaalsContact C-N 3.31Å; P395-E397 PolarHBondContact O-N 2.87Å; P395-W398 HydrophobicContact CB-CB 3.9Å; P395-W398 HydrophobicContact CG-CB 4.19Å; P395-W398 WeakPolarHBondContact O-CB 3.23Å; P395-W398 PolarHBondContact O-N 3.05Å; P395-N399 PolarHBondContact O-N 2.96Å; P395-N399 VanDerWaalsContact O-N 3.1Å; P395-N399 PolarHBondContact O-ND2 3.14Å; P395-L437 HydrophobicContact CG-CD1 4.27Å
396S80.7Confident71.3Confident73 Ų7375.5 Ų75.551%0.5141%0.414SS..Hα-helixtrans-54.6-49.4-179.354.30000111.8E375 W398 N399 E400E375-S396 PolarHBondContact OE2-N 2.85Å; E375-S396 PolarHBondContact OE2-OG 2.84Å; S396-W398 PolarHBondContact O-N 2.9Å; S396-N399 PolarHBondContact O-N 3.41Å; S396-E400 PolarHBondContact O-N 2.92Å; S396-E400 VanDerWaalsContact O-N 3.1Å
397E83Confident72.9Confident82 Ų8280.7 Ų80.738%0.38341%0.412SS..Hα-helixtrans-65.3-30174.1-67.5175.4179.200113.9W372 P395 N399 E400 A401W372-E397 PolarHBondContact NE1-OE2 2.57Å; P395-E397 VanDerWaalsContact C-N 3.31Å; P395-E397 PolarHBondContact O-N 2.87Å; E397-N399 VanDerWaalsContact C-N 3.35Å; E397-E400 PolarHBondContact O-N 3.3Å; E397-A401 WeakPolarHBondContact O-CB 3.36Å; E397-A401 PolarHBondContact O-N 3.32Å
398W86.4Confident74.9Confident0 Ų078.4 Ų78.40%038%0.375CS..Hα-helixtrans-64.5-43.5174.5-169.9101.9000110.6W372 L394 P395 S396 A401 N402 L409 I441 L446 L449W372-W398 HydrophobicContact CD2-CB 4.33Å; W372-W398 AromaticContact CE3-CD1 3.63Å; W372-W398 HydrophobicContact CH2-CB 4.28Å; W372-W398 AromaticContact CH2-CD1 3.59Å; W372-W398 HydrophobicContact CH2-CG 4.16Å; W372-W398 HydrophobicContact CZ2-CB 4.12Å; W372-W398 HydrophobicContact CZ2-CG 4.49Å; W372-W398 AromaticContact CZ3-CD1 3.29Å; W372-W398 HydrophobicContact CZ3-CG 4.23Å; W372-W398 AromaticContact CZ3-NE1 3.93Å; L394-W398 HydrophobicContact CB-CE3 4.32Å; L394-W398 HydrophobicContact CD1-CE3 3.87Å; L394-W398 HydrophobicContact CD1-CZ3 3.87Å; L394-W398 HydrophobicContact CD2-CD2 4.35Å; L394-W398 HydrophobicContact CD2-CE3 4.39Å; L394-W398 HydrophobicContact CG-CE3 4.43Å; P395-W398 HydrophobicContact CB-CB 3.9Å; P395-W398 HydrophobicContact CG-CB 4.19Å; P395-W398 WeakPolarHBondContact O-CB 3.23Å; P395-W398 PolarHBondContact O-N 3.05Å; S396-W398 PolarHBondContact O-N 2.9Å; W398-A401 PolarHBondContact O-N 3Å; W398-N402 HydrophobicContact CE3-CB 3.95Å; W398-N402 HydrophobicContact CH2-CB 3.86Å; W398-N402 HydrophobicContact CZ3-CB 3.51Å; W398-N402 WeakPolarHBondContact O-CB 3.46Å; W398-N402 PolarHBondContact O-N 3.05Å; W398-L409 HydrophobicContact CH2-CD2 4.43Å; W398-L409 HydrophobicContact CZ2-CD2 4.13Å; W398-I441 HydrophobicContact CH2-CG1 4.46Å; W398-I441 HydrophobicContact CZ2-CD1 3.94Å; W398-I441 HydrophobicContact CZ2-CG1 3.73Å; W398-I441 HydrophobicContact CZ2-CG2 4.24Å; W398-L446 HydrophobicContact CH2-CB 4.17Å; W398-L446 HydrophobicContact CH2-CD1 3.48Å; W398-L446 VanDerWaalsContact CH2-CD1 3.48Å; W398-L446 HydrophobicContact CH2-CG 4.4Å; W398-L446 HydrophobicContact CZ3-CD1 3.54Å; W398-L449 HydrophobicContact CH2-CD1 3.85Å; W398-L449 HydrophobicContact CZ2-CD1 4.05Å
399N81.9Confident76.8Confident59 Ų5971.2 Ų71.232%0.31634%0.337SS..Hα-helixtrans-66.6-38.7175.8-64.8-78.4000111.2L394 P395 S396 E397 N402 L403L394-N399 PolarHBondContact O-ND2 3.38Å; P395-N399 PolarHBondContact O-N 2.96Å; P395-N399 VanDerWaalsContact O-N 3.1Å; P395-N399 PolarHBondContact O-ND2 3.14Å; S396-N399 PolarHBondContact O-N 3.41Å; E397-N399 VanDerWaalsContact C-N 3.35Å; N399-N402 PolarHBondContact O-N 3.34Å; N399-L403 WeakPolarHBondContact O-CB 3.38Å; N399-L403 VanDerWaalsContact O-CG 3.26Å; N399-L403 WeakPolarHBondContact O-CG 3.4Å; N399-L403 PolarHBondContact O-N 3.45Å
400E81.4Confident78.4Confident84 Ų8470.7 Ų70.739%0.39333%0.327SS..Hα-helixtrans-60.9-47.5172.2-167.3-167.2119.600111.4S396 E397 N402 L403 F404 R405S396-E400 PolarHBondContact O-N 2.92Å; S396-E400 VanDerWaalsContact O-N 3.1Å; E397-E400 PolarHBondContact O-N 3.3Å; E400-N402 VanDerWaalsContact C-N 3.32Å; E400-N402 PolarHBondContact O-N 3.32Å; E400-L403 PolarHBondContact O-N 3.5Å; E400-F404 HydrophobicContact CB-CD2 4.45Å; E400-F404 HydrophobicContact CG-CD2 3.66Å; E400-F404 HydrophobicContact CG-CE2 4.32Å; E400-F404 WeakPolarHBondContact O-CB 3.2Å; E400-F404 WeakPolarHBondContact O-CD2 3.32Å; E400-F404 PolarHBondContact O-N 2.99Å; E400-R405 IonicContact OE1-CZ 3.91Å; E400-R405 IonicContact OE1-NE 3.61Å; E400-R405 IonicContact OE1-NH2 3.56Å; E400-R405 PolarHBondContact OE1-NH2 2.62Å
401A82.4Confident79.7Confident2 Ų270.9 Ų70.92%0.01733%0.33CS..Hα-helixtrans-63.4-36.5178.900000112.3W372 E397 W398 R405 W408 L409 L413W372-A401 HydrophobicContact CH2-CB 4.26Å; W372-A401 HydrophobicContact CZ2-CB 4.09Å; E397-A401 WeakPolarHBondContact O-CB 3.36Å; E397-A401 PolarHBondContact O-N 3.32Å; W398-A401 PolarHBondContact O-N 3Å; A401-R405 CarbonylContact O-C 3.59Å; A401-R405 VanDerWaalsContact O-CA 3.26Å; A401-R405 WeakPolarHBondContact O-CA 3.37Å; A401-R405 PolarHBondContact O-N 3.43Å; A401-W408 HydrophobicContact CB-CE3 4.44Å; A401-W408 HydrophobicContact CB-CZ3 4.49Å; A401-L409 HydrophobicContact CB-CB 4.43Å; A401-L409 HydrophobicContact CB-CD1 4.39Å; A401-L413 HydrophobicContact CB-CD1 4.18Å
402N83Confident80.8Confident37 Ų3762.4 Ų62.420%0.19830%0.296CS..Hα-helixtrans-72.9-35.6176.8-17361.2000113.2W398 N399 E400 L409 L449W398-N402 HydrophobicContact CE3-CB 3.95Å; W398-N402 HydrophobicContact CH2-CB 3.86Å; W398-N402 HydrophobicContact CZ3-CB 3.51Å; W398-N402 WeakPolarHBondContact O-CB 3.46Å; W398-N402 PolarHBondContact O-N 3.05Å; N399-N402 PolarHBondContact O-N 3.34Å; E400-N402 VanDerWaalsContact C-N 3.32Å; E400-N402 PolarHBondContact O-N 3.32Å; N402-L409 HydrophobicContact CB-CD2 3.64Å; N402-L449 WeakPolarHBondContact OD1-CD1 3.24Å
403L77.3Confident81.7Confident118 Ų11861.6 Ų61.662%0.61829%0.29SS*.Hα-helixtrans-82.2-39.3-179.8-71.3168.9000113.3N399 E400N399-L403 WeakPolarHBondContact O-CB 3.38Å; N399-L403 VanDerWaalsContact O-CG 3.26Å; N399-L403 WeakPolarHBondContact O-CG 3.4Å; N399-L403 PolarHBondContact O-N 3.45Å; E400-L403 PolarHBondContact O-N 3.5Å
404F78.1Confident82.1Confident104 Ų10453 Ų5346%0.45626%0.257SS..Hα-helixtrans-119.8-13.7-168.7-54.1-71.5000114.3E400 P406E400-F404 HydrophobicContact CB-CD2 4.45Å; E400-F404 HydrophobicContact CG-CD2 3.66Å; E400-F404 HydrophobicContact CG-CE2 4.32Å; E400-F404 WeakPolarHBondContact O-CB 3.2Å; E400-F404 WeakPolarHBondContact O-CD2 3.32Å; E400-F404 PolarHBondContact O-N 2.99Å; F404-P406 VanDerWaalsContact C-CD 3.45Å
405R75.6Confident82.2Confident63 Ų6353.9 Ų53.924%0.23827%0.265CS..  trans-132.442.8179.6-41.6-167.6-158.4175.413.3113.7A336 E400 A401 R407 W408 L409A336-R405 HydrophobicContact CB-CG 3.87Å; E400-R405 IonicContact OE1-CZ 3.91Å; E400-R405 IonicContact OE1-NE 3.61Å; E400-R405 IonicContact OE1-NH2 3.56Å; E400-R405 PolarHBondContact OE1-NH2 2.62Å; A401-R405 CarbonylContact O-C 3.59Å; A401-R405 VanDerWaalsContact O-CA 3.26Å; A401-R405 WeakPolarHBondContact O-CA 3.37Å; A401-R405 PolarHBondContact O-N 3.43Å; R405-R407 PolarHBondContact O-N 2.74Å; R405-W408 HydrophobicContact CB-CB 4.1Å; R405-W408 HydrophobicContact CB-CE3 4.07Å; R405-W408 HydrophobicContact CG-CE3 4.45Å; R405-W408 PolarHBondContact O-N 2.97Å; R405-L409 PolarHBondContact O-N 3.01Å
406P79.9Confident82.2Confident29 Ų2954 Ų5419%0.18827%0.265CS..Hα-helixtrans-61.8-22-169.825.6-36.1000114.3F404 R410F404-P406 VanDerWaalsContact C-CD 3.45Å; P406-R410 WeakPolarHBondContact O-CB 3.45Å; P406-R410 WeakPolarHBondContact O-CD 3.37Å; P406-R410 VanDerWaalsContact O-CG 3.23Å; P406-R410 WeakPolarHBondContact O-CG 3.49Å; P406-R410 PolarHBondContact O-N 2.71Å
407R74.5Confident82.7Confident176 Ų17650.5 Ų50.566%0.66424%0.241SC*.Hα-helixtrans-67.6-58.6169.2-73.3-173.1176.6-168.1-0.7111.5R405 L409 R410 S411R405-R407 PolarHBondContact O-N 2.74Å; R407-L409 VanDerWaalsContact C-N 3.28Å; R407-L409 PolarHBondContact O-N 3.47Å; R407-R410 CarbonylContact O-C 3.56Å; R407-R410 PolarHBondContact O-N 2.7Å; R407-S411 WeakPolarHBondContact O-CB 3.36Å; R407-S411 PolarHBondContact O-N 3.22Å; R407-S411 PolarHBondContact O-OG 3.28Å
408W81.7Confident82.9Confident43 Ų4348.8 Ų48.816%0.16323%0.234CC..Hα-helixtrans-56.5-40.2178.6-173.469.9000112.1E340 D368 A401 R405 R410 T412 L413E340-W408 PolarHBondContact OE1-NE1 2.9Å; E340-W408 PolarHBondContact OE2-NE1 3.41Å; D368-W408 HydrophobicContact CB-CH2 4.4Å; A401-W408 HydrophobicContact CB-CE3 4.44Å; A401-W408 HydrophobicContact CB-CZ3 4.49Å; R405-W408 HydrophobicContact CB-CB 4.1Å; R405-W408 HydrophobicContact CB-CE3 4.07Å; R405-W408 HydrophobicContact CG-CE3 4.45Å; R405-W408 PolarHBondContact O-N 2.97Å; W408-R410 PolarHBondContact O-N 2.94Å; W408-T412 WeakPolarHBondContact O-CA 3.27Å; W408-T412 VanDerWaalsContact O-CB 3.25Å; W408-T412 WeakPolarHBondContact O-CB 3.43Å; W408-T412 PolarHBondContact O-N 2.99Å; W408-L413 HydrophobicContact CD2-CD1 4.02Å; W408-L413 HydrophobicContact CD2-CD2 4.44Å; W408-L413 HydrophobicContact CD2-CG 4.09Å; W408-L413 HydrophobicContact CE3-CD1 3.52Å; W408-L413 HydrophobicContact CE3-CG 4.11Å; W408-L413 HydrophobicContact CH2-CD1 3.95Å; W408-L413 HydrophobicContact CH2-CD2 4.27Å; W408-L413 HydrophobicContact CZ2-CD1 4.39Å; W408-L413 HydrophobicContact CZ2-CD2 4.05Å; W408-L413 HydrophobicContact CZ3-CD1 3.51Å; W408-L413 HydrophobicContact CZ3-CG 4.37Å; W408-L413 PolarHBondContact O-N 3.01Å
409L86.1Confident82.9Confident0 Ų054.6 Ų54.60%027%0.265CS..Iπ-helixtrans-56.7-48.3171.8-179.563.6000111.7W372 W398 A401 N402 R405 R407 L413 I414 L449W372-L409 HydrophobicContact CH2-CD1 3.84Å; W372-L409 HydrophobicContact CZ3-CD1 4.3Å; W398-L409 HydrophobicContact CH2-CD2 4.43Å; W398-L409 HydrophobicContact CZ2-CD2 4.13Å; A401-L409 HydrophobicContact CB-CB 4.43Å; A401-L409 HydrophobicContact CB-CD1 4.39Å; N402-L409 HydrophobicContact CB-CD2 3.64Å; R405-L409 PolarHBondContact O-N 3.01Å; R407-L409 VanDerWaalsContact C-N 3.28Å; R407-L409 PolarHBondContact O-N 3.47Å; L409-L413 HydrophobicContact CD1-CB 4.23Å; L409-I414 HydrophobicContact CD1-CD1 4.14Å; L409-I414 HydrophobicContact CD1-CG1 3.96Å; L409-I414 HydrophobicContact CD2-CD1 4.47Å; L409-I414 HydrophobicContact CG-CD1 3.85Å; L409-I414 HydrophobicContact CG-CG1 4.16Å; L409-I414 VanDerWaalsContact O-CB 3.25Å; L409-I414 WeakPolarHBondContact O-CB 3.28Å; L409-I414 VanDerWaalsContact O-CG1 3.28Å; L409-I414 WeakPolarHBondContact O-CG1 3.44Å; L409-I414 PolarHBondContact O-N 3.08Å; L409-L449 HydrophobicContact CD2-CD1 4.2Å
410R83.2Confident83Confident117 Ų11752 Ų5244%0.44225%0.252SS..Iπ-helixtrans-79.9-28.8-178.3-68.5171.9-176.71683.6114.4P406 R407 W408 P415 L449 H452P406-R410 WeakPolarHBondContact O-CB 3.45Å; P406-R410 WeakPolarHBondContact O-CD 3.37Å; P406-R410 VanDerWaalsContact O-CG 3.23Å; P406-R410 WeakPolarHBondContact O-CG 3.49Å; P406-R410 PolarHBondContact O-N 2.71Å; R407-R410 CarbonylContact O-C 3.56Å; R407-R410 PolarHBondContact O-N 2.7Å; W408-R410 PolarHBondContact O-N 2.94Å; R410-P415 WeakPolarHBondContact O-CD 3.45Å; R410-L449 HydrophobicContact CG-CD2 4.33Å; R410-L449 VanDerWaalsContact NE-CD2 3.26Å; R410-H452 PolarHBondContact O-NE2 3.43Å
411S80.7Confident82.9Confident79 Ų7952 Ų5255%0.55226%0.259SS*.Iπ-helixtrans-93.3-26.4-175.464.20000113.8R407R407-S411 WeakPolarHBondContact O-CB 3.36Å; R407-S411 PolarHBondContact O-N 3.22Å; R407-S411 PolarHBondContact O-OG 3.28Å
412T83.6Confident83Confident29 Ų2953.3 Ų53.318%0.17827%0.265CS..Iπ-helixtrans-126.4-62.6-166.6-46.90000110P364 W408 A416P364-T412 HydrophobicContact CB-CG2 3.99Å; P364-T412 VanDerWaalsContact O-CG2 3.3Å; P364-T412 WeakPolarHBondContact O-CG2 3.32Å; W408-T412 WeakPolarHBondContact O-CA 3.27Å; W408-T412 VanDerWaalsContact O-CB 3.25Å; W408-T412 WeakPolarHBondContact O-CB 3.43Å; W408-T412 PolarHBondContact O-N 2.99Å; T412-A416 VanDerWaalsContact O-CB 3.29Å; T412-A416 WeakPolarHBondContact O-CB 3.5Å; T412-A416 PolarHBondContact O-N 2.9Å
413L87.4Confident83Confident0 Ų052.6 Ų52.60%026%0.261CS..Iπ-helixtrans-74.3-39.7-169.8-54.9-174.6000114.1D368 V369 W372 A401 W408 L409 A416 L417D368-L413 HydrophobicContact CB-CD2 4.16Å; V369-L413 HydrophobicContact CG2-CB 4.44Å; V369-L413 HydrophobicContact CG2-CD2 4.48Å; W372-L413 HydrophobicContact CH2-CB 3.97Å; W372-L413 HydrophobicContact CH2-CD1 3.28Å; W372-L413 HydrophobicContact CH2-CG 4.25Å; W372-L413 HydrophobicContact CZ2-CD1 3.57Å; W372-L413 HydrophobicContact CZ3-CB 4.09Å; W372-L413 HydrophobicContact CZ3-CD1 4.15Å; A401-L413 HydrophobicContact CB-CD1 4.18Å; W408-L413 HydrophobicContact CD2-CD1 4.02Å; W408-L413 HydrophobicContact CD2-CD2 4.44Å; W408-L413 HydrophobicContact CD2-CG 4.09Å; W408-L413 HydrophobicContact CE3-CD1 3.52Å; W408-L413 HydrophobicContact CE3-CG 4.11Å; W408-L413 HydrophobicContact CH2-CD1 3.95Å; W408-L413 HydrophobicContact CH2-CD2 4.27Å; W408-L413 HydrophobicContact CZ2-CD1 4.39Å; W408-L413 HydrophobicContact CZ2-CD2 4.05Å; W408-L413 HydrophobicContact CZ3-CD1 3.51Å; W408-L413 HydrophobicContact CZ3-CG 4.37Å; W408-L413 PolarHBondContact O-N 3.01Å; L409-L413 HydrophobicContact CD1-CB 4.23Å; L413-A416 PolarHBondContact O-N 3.4Å; L413-L417 WeakPolarHBondContact O-CB 3.28Å; L413-L417 PolarHBondContact O-N 3.37Å
414I87.2Confident83.1Confident0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-68.4-45.6174.3-73.7173.3000110.7L409 A416 L417 L418 L449 L450L409-I414 HydrophobicContact CD1-CD1 4.14Å; L409-I414 HydrophobicContact CD1-CG1 3.96Å; L409-I414 HydrophobicContact CD2-CD1 4.47Å; L409-I414 HydrophobicContact CG-CD1 3.85Å; L409-I414 HydrophobicContact CG-CG1 4.16Å; L409-I414 VanDerWaalsContact O-CB 3.25Å; L409-I414 WeakPolarHBondContact O-CB 3.28Å; L409-I414 VanDerWaalsContact O-CG1 3.28Å; L409-I414 WeakPolarHBondContact O-CG1 3.44Å; L409-I414 PolarHBondContact O-N 3.08Å; I414-A416 VanDerWaalsContact C-N 3.31Å; I414-A416 PolarHBondContact O-N 3.11Å; I414-L417 PolarHBondContact O-N 3.15Å; I414-L418 HydrophobicContact CG2-CD1 3.63Å; I414-L418 HydrophobicContact CG2-CG 4.22Å; I414-L418 VanDerWaalsContact O-CB 3.28Å; I414-L418 WeakPolarHBondContact O-CB 3.4Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.33Å; I414-L418 PolarHBondContact O-N 2.89Å; I414-L449 HydrophobicContact CD1-CB 3.63Å; I414-L450 HydrophobicContact CD1-CD2 4.5Å; I414-L450 HydrophobicContact CG2-CD2 4.17Å
415P86.2Confident83.4Confident37 Ų3757.9 Ų57.924%0.2428%0.284CS..Hα-helixtrans-56-39.8169.7-32.940.5000114.3R410 N419R410-P415 WeakPolarHBondContact O-CD 3.45Å; P415-N419 WeakPolarHBondContact O-CA 3.41Å; P415-N419 WeakPolarHBondContact O-CB 3.12Å; P415-N419 PolarHBondContact O-N 3.06Å; P415-N419 PolarHBondContact O-ND2 3.45Å; P415-N419 VanDerWaalsContact O-ND2 3.13Å
416A86.8Confident83.8Confident1 Ų155.6 Ų55.61%0.00828%0.276CS..Hα-helixtrans-68.3-47.6174.900000112.3T363 V369 T412 L413 I414 L418 A420 I423T363-A416 HydrophobicContact CG2-CB 4.09Å; V369-A416 HydrophobicContact CG2-CB 4.06Å; T412-A416 VanDerWaalsContact O-CB 3.29Å; T412-A416 WeakPolarHBondContact O-CB 3.5Å; T412-A416 PolarHBondContact O-N 2.9Å; L413-A416 PolarHBondContact O-N 3.4Å; I414-A416 VanDerWaalsContact C-N 3.31Å; I414-A416 PolarHBondContact O-N 3.11Å; A416-L418 VanDerWaalsContact C-N 3.27Å; A416-L418 PolarHBondContact O-N 3.25Å; A416-A420 HydrophobicContact CB-CB 4.48Å; A416-A420 WeakPolarHBondContact O-CB 3.47Å; A416-A420 PolarHBondContact O-N 3.11Å; A416-I423 WeakPolarHBondContact O-CD1 3.3Å
417L89.9Confident84.1Confident1 Ų156.6 Ų56.61%0.00528%0.284CS..Hα-helixtrans-59.3-35.8175.8176.262.5000112.5V369 L413 I414 I423 R434 L437 L438 I441V369-L417 HydrophobicContact CG1-CB 4.23Å; V369-L417 HydrophobicContact CG1-CD1 4.05Å; V369-L417 HydrophobicContact CG2-CB 4.25Å; L413-L417 WeakPolarHBondContact O-CB 3.28Å; L413-L417 PolarHBondContact O-N 3.37Å; I414-L417 PolarHBondContact O-N 3.15Å; L417-I423 VanDerWaalsContact O-CD1 3.31Å; L417-I423 WeakPolarHBondContact O-CD1 3.36Å; L417-R434 HydrophobicContact CD1-CG 4Å; L417-R434 PolarHBondContact O-NE 2.95Å; L417-R434 PolarHBondContact O-NH2 2.93Å; L417-L437 HydrophobicContact CD1-CD2 3.76Å; L417-L437 HydrophobicContact CD2-CD2 3.85Å; L417-L437 HydrophobicContact CD2-CG 4.16Å; L417-L437 HydrophobicContact CG-CD2 4.49Å; L417-L438 HydrophobicContact CD2-CD2 4.01Å; L417-L438 HydrophobicContact CG-CD2 4.31Å; L417-I441 HydrophobicContact CD2-CD1 4.14Å
418L88.1Confident84.5Confident46 Ų4654 Ų5424%0.24129%0.288CS..Hα-helixtrans-86.3-40.3-178.7-68.8177.5000113.4I414 A416 R434 L438I414-L418 HydrophobicContact CG2-CD1 3.63Å; I414-L418 HydrophobicContact CG2-CG 4.22Å; I414-L418 VanDerWaalsContact O-CB 3.28Å; I414-L418 WeakPolarHBondContact O-CB 3.4Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.33Å; I414-L418 PolarHBondContact O-N 2.89Å; A416-L418 VanDerWaalsContact C-N 3.27Å; A416-L418 PolarHBondContact O-N 3.25Å; L418-R434 PolarHBondContact O-NH2 3.44Å; L418-L438 HydrophobicContact CD2-CD2 3.85Å
419N86.1Confident84.6Confident121 Ų12158.5 Ų58.565%0.64731%0.311SS*.Hα-helixtrans-135.16.4-162.2-40-83.5000116.1P415P415-N419 WeakPolarHBondContact O-CA 3.41Å; P415-N419 WeakPolarHBondContact O-CB 3.12Å; P415-N419 PolarHBondContact O-N 3.06Å; P415-N419 PolarHBondContact O-ND2 3.45Å; P415-N419 VanDerWaalsContact O-ND2 3.13Å
420A83.7Confident84.7Confident5 Ų559.7 Ų59.74%0.04132%0.317CS..  trans-62.913417600000111.2T363 W366 A416 E422 I423T363-A420 HydrophobicContact CG2-CB 3.92Å; W366-A420 HydrophobicContact CD2-CB 4.42Å; W366-A420 HydrophobicContact CE3-CB 3.59Å; W366-A420 HydrophobicContact CZ3-CB 3.77Å; A416-A420 HydrophobicContact CB-CB 4.48Å; A416-A420 WeakPolarHBondContact O-CB 3.47Å; A416-A420 PolarHBondContact O-N 3.11Å; A420-E422 PolarHBondContact O-N 3.28Å; A420-I423 HydrophobicContact CB-CD1 4.29Å; A420-I423 HydrophobicContact CB-CG1 4.25Å; A420-I423 VanDerWaalsContact O-CB 3.26Å; A420-I423 WeakPolarHBondContact O-CB 3.27Å; A420-I423 WeakPolarHBondContact O-CD1 3.35Å; A420-I423 WeakPolarHBondContact O-CG1 3.42Å; A420-I423 PolarHBondContact O-N 3.1Å
421P79.4Confident84.8Confident85 Ų8557.9 Ų57.955%0.55231%0.313SS*.G310 helixtrans-60.1-25.817724.4-34.1000112.8T363 I423 E424T363-P421 WeakPolarHBondContact OG1-CD 3.28Å; P421-I423 PolarHBondContact O-N 3.1Å; P421-I423 VanDerWaalsContact O-N 3.17Å; P421-E424 PolarHBondContact O-N 3.35Å
422E85.4Confident85.1Confident28 Ų2858.8 Ų58.813%0.13131%0.306CS..G310 helixtrans-60.4-20.1173.5-61.498.2138.500113.7T363 W366 A420 E424 Q425 L426T363-E422 WeakPolarHBondContact CB-OE2 3.45Å; T363-E422 PolarHBondContact N-OE1 2.96Å; T363-E422 PolarHBondContact OG1-OE1 2.92Å; T363-E422 PolarHBondContact OG1-OE2 3.43Å; W366-E422 HydrophobicContact CD2-CB 3.8Å; W366-E422 HydrophobicContact CD2-CG 4.28Å; W366-E422 HydrophobicContact CE3-CB 4.34Å; W366-E422 HydrophobicContact CG-CB 4.33Å; W366-E422 HydrophobicContact CG-CG 4.29Å; W366-E422 HydrophobicContact CH2-CB 3.95Å; W366-E422 HydrophobicContact CZ2-CB 3.35Å; W366-E422 HydrophobicContact CZ2-CG 4.5Å; W366-E422 HydrophobicContact CZ3-CB 4.41Å; A420-E422 PolarHBondContact O-N 3.28Å; E422-E424 VanDerWaalsContact C-N 3.25Å; E422-E424 PolarHBondContact O-N 2.88Å; E422-Q425 PolarHBondContact O-N 3.16Å; E422-Q425 VanDerWaalsContact O-N 3.09Å; E422-L426 PolarHBondContact O-N 3.09Å
423I82.8Confident85.3Confident22 Ų2257.4 Ų57.411%0.11330%0.298CS..G310 helixtrans-58.9-36.3175.8-64.7166.1000111.7W366 A416 L417 A420 P421 Q425 L426 K431W366-I423 HydrophobicContact CH2-CG1 3.83Å; W366-I423 HydrophobicContact CZ3-CG1 3.75Å; A416-I423 WeakPolarHBondContact O-CD1 3.3Å; L417-I423 VanDerWaalsContact O-CD1 3.31Å; L417-I423 WeakPolarHBondContact O-CD1 3.36Å; A420-I423 HydrophobicContact CB-CD1 4.29Å; A420-I423 HydrophobicContact CB-CG1 4.25Å; A420-I423 VanDerWaalsContact O-CB 3.26Å; A420-I423 WeakPolarHBondContact O-CB 3.27Å; A420-I423 WeakPolarHBondContact O-CD1 3.35Å; A420-I423 WeakPolarHBondContact O-CG1 3.42Å; A420-I423 PolarHBondContact O-N 3.1Å; P421-I423 PolarHBondContact O-N 3.1Å; P421-I423 VanDerWaalsContact O-N 3.17Å; I423-Q425 PolarHBondContact O-N 2.89Å; I423-L426 HydrophobicContact CG2-CD1 4.35Å; I423-L426 WeakPolarHBondContact O-CB 3.12Å; I423-L426 PolarHBondContact O-N 2.8Å; I423-K431 VanDerWaalsContact O-CE 3.27Å; I423-K431 WeakPolarHBondContact O-CE 3.45Å
424E79Confident85.4Confident164 Ų16459.6 Ų59.677%0.76631%0.307SS*.G310 helixtrans-64.6-29.9179.6-62.5-167.816600111.7P421 E422 K431P421-E424 PolarHBondContact O-N 3.35Å; E422-E424 VanDerWaalsContact C-N 3.25Å; E422-E424 PolarHBondContact O-N 2.88Å; E424-K431 PolarHBondContact O-NZ 2.78Å
425Q83.6Confident85.4Confident169 Ų16965.5 Ų65.579%0.7933%0.334SS*.G310 helixtrans-87.6-10.1-175.6-55-177.415.800113.6E422 I423E422-Q425 PolarHBondContact O-N 3.16Å; E422-Q425 VanDerWaalsContact O-N 3.09Å; I423-Q425 PolarHBondContact O-N 2.89Å
426L84.1Confident85.5Confident15 Ų1564.6 Ų64.68%0.07933%0.327CS..  trans-57.1146.8178.7-70177.6000113W366 L370 L373 E422 I423 L430 K431W366-L426 HydrophobicContact CH2-CD1 4.13Å; W366-L426 HydrophobicContact CH2-CD2 4Å; W366-L426 HydrophobicContact CH2-CG 4.17Å; W366-L426 HydrophobicContact CZ2-CD2 3.78Å; W366-L426 HydrophobicContact CZ2-CG 4.31Å; L370-L426 HydrophobicContact CD1-CD2 4.26Å; L373-L426 HydrophobicContact CD1-CD1 3.76Å; L373-L426 HydrophobicContact CD1-CD2 4.13Å; E422-L426 PolarHBondContact O-N 3.09Å; I423-L426 HydrophobicContact CG2-CD1 4.35Å; I423-L426 WeakPolarHBondContact O-CB 3.12Å; I423-L426 PolarHBondContact O-N 2.8Å; L426-L430 HydrophobicContact CB-CB 4.16Å; L426-L430 HydrophobicContact CD1-CB 4.46Å; L426-L430 HydrophobicContact CD2-CB 3.92Å; L426-L430 HydrophobicContact CD2-CD1 3.99Å; L426-L430 HydrophobicContact CG-CB 4.41Å; L426-K431 HydrophobicContact CB-CD 4.35Å; L426-K431 HydrophobicContact CB-CG 3.81Å; L426-K431 HydrophobicContact CD1-CG 4.44Å; L426-K431 WeakPolarHBondContact O-CE 3.2Å; L426-K431 PolarHBondContact O-NZ 3.01Å
427S86.2Confident85.6Confident51 Ų5164.6 Ų64.636%0.35733%0.326SS..  trans-63.2165.4169.969.20000111.8E429 L430 K431S427-E429 VanDerWaalsContact C-N 3.25Å; S427-E429 PolarHBondContact O-N 3.12Å; S427-L430 PolarHBondContact O-N 3.28Å; S427-L430 WeakPolarHBondContact OG-CG 3.45Å; S427-L430 PolarHBondContact OG-N 3.14Å; S427-K431 WeakPolarHBondContact O-CB 3.08Å; S427-K431 WeakPolarHBondContact O-CG 3.49Å; S427-K431 PolarHBondContact O-N 3.17Å
428T82.9Confident85.6Confident122 Ų12265.9 Ų65.975%0.74833%0.333SS*.Hα-helixtrans-57.7-39.4173.641.40000112.2K431 F432T428-K431 PolarHBondContact O-N 2.82Å; T428-F432 PolarHBondContact O-N 2.62Å
429E84.7Confident85.5Confident137 Ų13768.7 Ų68.764%0.6435%0.345SS*.Hα-helixtrans-63.4-46.9176.6-64.5166.9179.600111.7S427 F432 A433S427-E429 VanDerWaalsContact C-N 3.25Å; S427-E429 PolarHBondContact O-N 3.12Å; E429-F432 PolarHBondContact O-N 3.14Å; E429-A433 WeakPolarHBondContact O-CB 3.22Å; E429-A433 PolarHBondContact O-N 3.39Å
430L87.6Confident85.4Confident25 Ų2563.1 Ų63.113%0.13132%0.316CS..Hα-helixtrans-73.9-27.6-179.9-64.3172.2000112.6L370 L373 N374 A377 L426 S427 R434L370-L430 HydrophobicContact CD1-CD1 4.12Å; L373-L430 HydrophobicContact CB-CD2 3.84Å; N374-L430 WeakPolarHBondContact OD1-CD2 3.15Å; A377-L430 HydrophobicContact CB-CD2 4.2Å; L426-L430 HydrophobicContact CB-CB 4.16Å; L426-L430 HydrophobicContact CD1-CB 4.46Å; L426-L430 HydrophobicContact CD2-CB 3.92Å; L426-L430 HydrophobicContact CD2-CD1 3.99Å; L426-L430 HydrophobicContact CG-CB 4.41Å; S427-L430 PolarHBondContact O-N 3.28Å; S427-L430 WeakPolarHBondContact OG-CG 3.45Å; S427-L430 PolarHBondContact OG-N 3.14Å; L430-R434 WeakPolarHBondContact O-CB 3.42Å; L430-R434 PolarHBondContact O-N 3.37Å
431K86.1Confident85.6Confident79 Ų7962.9 Ų62.934%0.34331%0.314SS..Hα-helixtrans-66.3-43.1169.3-78.8167.3172.4142.60111.4I423 E424 L426 S427 T428 R434 E435I423-K431 VanDerWaalsContact O-CE 3.27Å; I423-K431 WeakPolarHBondContact O-CE 3.45Å; E424-K431 PolarHBondContact O-NZ 2.78Å; L426-K431 HydrophobicContact CB-CD 4.35Å; L426-K431 HydrophobicContact CB-CG 3.81Å; L426-K431 HydrophobicContact CD1-CG 4.44Å; L426-K431 WeakPolarHBondContact O-CE 3.2Å; L426-K431 PolarHBondContact O-NZ 3.01Å; S427-K431 WeakPolarHBondContact O-CB 3.08Å; S427-K431 WeakPolarHBondContact O-CG 3.49Å; S427-K431 PolarHBondContact O-N 3.17Å; T428-K431 PolarHBondContact O-N 2.82Å; K431-R434 WeakPolarHBondContact O-CB 3.23Å; K431-R434 PolarHBondContact O-N 3.08Å; K431-E435 PolarHBondContact O-N 2.59Å; K431-E435 VanDerWaalsContact O-N 3.12Å
432F85.9Confident85.8Confident97 Ų9763.9 Ų63.943%0.42531%0.311SS..Hα-helixtrans-64-44.3171.9-178.9-102.2000112H380 T428 E429 R434 E435 Q436H380-F432 AromaticContact CD2-CE1 3.98Å; H380-F432 AromaticContact CE1-CE1 3.77Å; H380-F432 AromaticContact ND1-CE1 3.94Å; H380-F432 AromaticContact NE2-CE1 3.79Å; T428-F432 PolarHBondContact O-N 2.62Å; E429-F432 PolarHBondContact O-N 3.14Å; F432-R434 PolarHBondContact O-N 2.85Å; F432-E435 PolarHBondContact O-N 3.09Å; F432-E435 VanDerWaalsContact O-N 3.14Å; F432-Q436 HydrophobicContact CD1-CG 4.09Å; F432-Q436 HydrophobicContact CE1-CG 3.8Å; F432-Q436 HydrophobicContact CE2-CG 4.46Å; F432-Q436 HydrophobicContact CZ-CG 4.03Å; F432-Q436 WeakPolarHBondContact O-CG 3.39Å; F432-Q436 PolarHBondContact O-N 3.4Å
433A87.8Confident85.6Confident1 Ų167.2 Ų67.21%0.00834%0.337CS..Hα-helixtrans-59.4-33.7174.900000112.6L373 I376 A377 E429 Q436 L437L373-A433 HydrophobicContact CD2-CB 4.39Å; L373-A433 WeakPolarHBondContact O-CB 3.37Å; I376-A433 HydrophobicContact CB-CB 4.13Å; I376-A433 HydrophobicContact CG2-CB 3.79Å; A377-A433 HydrophobicContact CB-CB 4.34Å; E429-A433 WeakPolarHBondContact O-CB 3.22Å; E429-A433 PolarHBondContact O-N 3.39Å; A433-Q436 PolarHBondContact O-N 3.09Å; A433-L437 WeakPolarHBondContact O-CB 3.35Å; A433-L437 PolarHBondContact O-N 3.41Å
434R89.8Confident85.6Confident46 Ų4668.6 Ų68.617%0.17435%0.352CS..Hα-helixtrans-68.3-42.5174.7-178177.3172.5-89.83.8112.3L373 L417 L418 L430 K431 F432 Q436 L437 L438L373-R434 HydrophobicContact CD2-CB 3.56Å; L373-R434 HydrophobicContact CD2-CG 4.26Å; L417-R434 HydrophobicContact CD1-CG 4Å; L417-R434 PolarHBondContact O-NE 2.95Å; L417-R434 PolarHBondContact O-NH2 2.93Å; L418-R434 PolarHBondContact O-NH2 3.44Å; L430-R434 WeakPolarHBondContact O-CB 3.42Å; L430-R434 PolarHBondContact O-N 3.37Å; K431-R434 WeakPolarHBondContact O-CB 3.23Å; K431-R434 PolarHBondContact O-N 3.08Å; F432-R434 PolarHBondContact O-N 2.85Å; R434-Q436 VanDerWaalsContact C-N 3.35Å; R434-L437 PolarHBondContact O-N 3.08Å; R434-L438 HydrophobicContact CG-CD1 4.33Å; R434-L438 WeakPolarHBondContact O-CG 3.5Å; R434-L438 PolarHBondContact O-N 3.2Å
435E87.8Confident85.6Confident124 Ų12463.1 Ų63.158%0.57934%0.34SS*.Hα-helixtrans-64.5-41.1174.5-70178.8174.700111.1K431 F432 L438 Q439K431-E435 PolarHBondContact O-N 2.59Å; K431-E435 VanDerWaalsContact O-N 3.12Å; F432-E435 PolarHBondContact O-N 3.09Å; F432-E435 VanDerWaalsContact O-N 3.14Å; E435-L438 PolarHBondContact O-N 2.96Å; E435-Q439 VanDerWaalsContact O-CB 3.31Å; E435-Q439 WeakPolarHBondContact O-CB 3.12Å; E435-Q439 PolarHBondContact O-N 3.36Å
436Q87.2Confident85.5Confident18 Ų1856.9 Ų56.98%0.08431%0.311CS..Hα-helixtrans-63.8-40.8174.2-69.4-71.3-8.900112.8I376 H380 C392 F432 A433 R434 Q439 G440I376-Q436 HydrophobicContact CG2-CB 3.96Å; H380-Q436 WeakPolarHBondContact NE2-CG 3.42Å; C392-Q436 HydrophobicContact CB-CB 4.41Å; F432-Q436 HydrophobicContact CD1-CG 4.09Å; F432-Q436 HydrophobicContact CE1-CG 3.8Å; F432-Q436 HydrophobicContact CE2-CG 4.46Å; F432-Q436 HydrophobicContact CZ-CG 4.03Å; F432-Q436 WeakPolarHBondContact O-CG 3.39Å; F432-Q436 PolarHBondContact O-N 3.4Å; A433-Q436 PolarHBondContact O-N 3.09Å; R434-Q436 VanDerWaalsContact C-N 3.35Å; Q436-Q439 PolarHBondContact O-N 2.87Å; Q436-G440 PolarHBondContact O-N 2.95Å
437L89.2Confident85.4Confident0 Ų058 Ų580%032%0.321CS..Hα-helixtrans-60.4-49.3173.4179.550000111.3W372 L373 I376 L394 P395 L417 A433 R434 G440 I441W372-L437 HydrophobicContact CB-CD2 4.28Å; W372-L437 HydrophobicContact CE3-CD2 4.27Å; L373-L437 HydrophobicContact CD2-CD2 4.41Å; I376-L437 HydrophobicContact CD1-CB 3.53Å; I376-L437 HydrophobicContact CD1-CD1 3.78Å; I376-L437 HydrophobicContact CD1-CD2 4.37Å; I376-L437 HydrophobicContact CD1-CG 4.06Å; L394-L437 HydrophobicContact CD2-CD1 3.96Å; P395-L437 HydrophobicContact CG-CD1 4.27Å; L417-L437 HydrophobicContact CD1-CD2 3.76Å; L417-L437 HydrophobicContact CD2-CD2 3.85Å; L417-L437 HydrophobicContact CD2-CG 4.16Å; L417-L437 HydrophobicContact CG-CD2 4.49Å; A433-L437 WeakPolarHBondContact O-CB 3.35Å; A433-L437 PolarHBondContact O-N 3.41Å; R434-L437 PolarHBondContact O-N 3.08Å; L437-G440 PolarHBondContact O-N 3.38Å; L437-I441 HydrophobicContact CD1-CD1 4.05Å; L437-I441 HydrophobicContact CD1-CG1 4.27Å; L437-I441 HydrophobicContact CG-CD1 4.12Å; L437-I441 VanDerWaalsContact O-CG1 3.3Å; L437-I441 WeakPolarHBondContact O-CG1 2.93Å; L437-I441 PolarHBondContact O-N 3.44Å
438L89.6Confident85.2Confident28 Ų2860.7 Ų60.715%0.14733%0.327CS..Hα-helixtrans-62.8-44.5178.6-68.1169.2000111.1L417 L418 R434 E435 G440 I441 H442 L450L417-L438 HydrophobicContact CD2-CD2 4.01Å; L417-L438 HydrophobicContact CG-CD2 4.31Å; L418-L438 HydrophobicContact CD2-CD2 3.85Å; R434-L438 HydrophobicContact CG-CD1 4.33Å; R434-L438 WeakPolarHBondContact O-CG 3.5Å; R434-L438 PolarHBondContact O-N 3.2Å; E435-L438 PolarHBondContact O-N 2.96Å; L438-G440 VanDerWaalsContact C-N 3.3Å; L438-G440 PolarHBondContact O-N 2.84Å; L438-I441 PolarHBondContact O-N 3.43Å; L438-H442 PolarHBondContact O-CD2 3.33Å; L438-H442 PolarHBondContact O-N 3.41Å; L438-L450 HydrophobicContact CD2-CD1 4Å; L438-L450 HydrophobicContact CD2-CD2 3.93Å
439Q85.7Confident85Confident106 Ų10655.3 Ų55.350%0.49529%0.294SS..Hα-helixtrans-62.8-36.4175-171.9169.60.500112E435 Q436 H442 S443E435-Q439 VanDerWaalsContact O-CB 3.31Å; E435-Q439 WeakPolarHBondContact O-CB 3.12Å; E435-Q439 PolarHBondContact O-N 3.36Å; Q436-Q439 PolarHBondContact O-N 2.87Å; Q439-H442 PolarHBondContact O-N 2.83Å; Q439-S443 WeakPolarHBondContact O-CB 3.45Å; Q439-S443 PolarHBondContact O-N 3.05Å; Q439-S443 PolarHBondContact O-OG 3.29Å
440G85.5Confident84.7Confident3 Ų349.7 Ų49.73%0.03127%0.268CS..Hα-helixtrans-58.8-52.2170.900000111.9Q436 L437 L438 H442 S443 A444Q436-G440 PolarHBondContact O-N 2.95Å; L437-G440 PolarHBondContact O-N 3.38Å; L438-G440 VanDerWaalsContact C-N 3.3Å; L438-G440 PolarHBondContact O-N 2.84Å; G440-H442 VanDerWaalsContact C-N 3.32Å; G440-H442 PolarHBondContact O-N 3.02Å; G440-S443 PolarHBondContact O-N 3.45Å; G440-S443 VanDerWaalsContact O-N 3.08Å; G440-S443 PolarHBondContact O-OG 3.42Å; G440-A444 WeakPolarHBondContact O-CB 3.09Å; G440-A444 PolarHBondContact O-N 3.49Å
441I86.2Confident84Confident0 Ų053.8 Ų53.80%029%0.29CS..Hα-helixtrans-59.3-42.1177.4-65165.5000110.9L394 W398 L417 L437 L438 A444 L446 L450L394-I441 HydrophobicContact CD2-CG1 3.71Å; W398-I441 HydrophobicContact CH2-CG1 4.46Å; W398-I441 HydrophobicContact CZ2-CD1 3.94Å; W398-I441 HydrophobicContact CZ2-CG1 3.73Å; W398-I441 HydrophobicContact CZ2-CG2 4.24Å; L417-I441 HydrophobicContact CD2-CD1 4.14Å; L437-I441 HydrophobicContact CD1-CD1 4.05Å; L437-I441 HydrophobicContact CD1-CG1 4.27Å; L437-I441 HydrophobicContact CG-CD1 4.12Å; L437-I441 VanDerWaalsContact O-CG1 3.3Å; L437-I441 WeakPolarHBondContact O-CG1 2.93Å; L437-I441 PolarHBondContact O-N 3.44Å; L438-I441 PolarHBondContact O-N 3.43Å; I441-A444 PolarHBondContact O-N 2.75Å; I441-L446 HydrophobicContact CG2-CB 3.95Å; I441-L446 PolarHBondContact O-N 2.69Å; I441-L450 HydrophobicContact CB-CD1 4.43Å; I441-L450 HydrophobicContact CD1-CD2 4.32Å; I441-L450 HydrophobicContact CG2-CD1 3.93Å; I441-L450 HydrophobicContact CG2-CD2 4.28Å; I441-L450 HydrophobicContact CG2-CG 4.03Å
442H84.3Confident82.5Confident107 Ų10755.8 Ų55.850%0.49530%0.3SS..Hα-helixtrans-61.6-45.9172.8-84-78.9000112.2L438 Q439 G440 A444 G445 S447L438-H442 PolarHBondContact O-CD2 3.33Å; L438-H442 PolarHBondContact O-N 3.41Å; Q439-H442 PolarHBondContact O-N 2.83Å; G440-H442 VanDerWaalsContact C-N 3.32Å; G440-H442 PolarHBondContact O-N 3.02Å; H442-A444 VanDerWaalsContact C-N 3.29Å; H442-A444 PolarHBondContact O-N 3.43Å; H442-G445 PolarHBondContact O-N 2.96Å; H442-G445 VanDerWaalsContact O-N 3.14Å; H442-S447 VanDerWaalsContact ND1-CB 3.3Å; H442-S447 WeakPolarHBondContact ND1-CB 3.42Å
443S82Confident80.2Confident97 Ų9757.3 Ų57.368%0.67832%0.318SS*.Hα-helixtrans-67.7-27.3-178.778.50000113.6Q439 G440 G445Q439-S443 WeakPolarHBondContact O-CB 3.45Å; Q439-S443 PolarHBondContact O-N 3.05Å; Q439-S443 PolarHBondContact O-OG 3.29Å; G440-S443 PolarHBondContact O-N 3.45Å; G440-S443 VanDerWaalsContact O-N 3.08Å; G440-S443 PolarHBondContact O-OG 3.42Å; S443-G445 PolarHBondContact O-N 2.92Å
444A82.1Confident77.8Confident52 Ų5267 Ų6743%0.4336%0.36SS..THydrogen-bonded Turntrans-77.4-1.9174.200000113.9L394 G440 I441 H442 L446L394-A444 HydrophobicContact CD1-CB 3.88Å; G440-A444 WeakPolarHBondContact O-CB 3.09Å; G440-A444 PolarHBondContact O-N 3.49Å; I441-A444 PolarHBondContact O-N 2.75Å; H442-A444 VanDerWaalsContact C-N 3.29Å; H442-A444 PolarHBondContact O-N 3.43Å; A444-L446 HydrophobicContact CB-CD1 3.91Å; A444-L446 HydrophobicContact CB-CG 4.06Å; A444-L446 PolarHBondContact O-N 3.35Å
445G79.4Confident74.8Confident48 Ų4868.3 Ų68.350%0.49539%0.388SS..THydrogen-bonded Turntrans77.56.7-174.400000114.3H442 S443 S447 H448H442-G445 PolarHBondContact O-N 2.96Å; H442-G445 VanDerWaalsContact O-N 3.14Å; S443-G445 PolarHBondContact O-N 2.92Å; G445-S447 VanDerWaalsContact C-N 3.3Å; G445-S447 PolarHBondContact O-N 3.14Å; G445-H448 PolarHBondContact O-ND1 3.18Å
446L81.9Confident72.1Confident38 Ų3871.4 Ų71.420%0.19940%0.399CS..G310 helixtrans-93.412-173.8-59.6173.2000112.5L394 W398 I441 A444 H448 L449L394-L446 HydrophobicContact CD1-CD1 4.46Å; W398-L446 HydrophobicContact CH2-CB 4.17Å; W398-L446 HydrophobicContact CH2-CD1 3.48Å; W398-L446 VanDerWaalsContact CH2-CD1 3.48Å; W398-L446 HydrophobicContact CH2-CG 4.4Å; W398-L446 HydrophobicContact CZ3-CD1 3.54Å; I441-L446 HydrophobicContact CG2-CB 3.95Å; I441-L446 PolarHBondContact O-N 2.69Å; A444-L446 HydrophobicContact CB-CD1 3.91Å; A444-L446 HydrophobicContact CB-CG 4.06Å; A444-L446 PolarHBondContact O-N 3.35Å; L446-H448 PolarHBondContact O-N 3.01Å; L446-H448 VanDerWaalsContact O-N 3.1Å; L446-L449 HydrophobicContact CB-CD1 3.98Å; L446-L449 VanDerWaalsContact O-CB 3.31Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 WeakPolarHBondContact O-CG 3.18Å; L446-L449 PolarHBondContact O-N 2.94Å
447S80.8Confident69.5Low39 Ų3976.9 Ų76.927%0.27343%0.434SS..G310 helixtrans-53.1-2817558.70000114.4H442 G445 L449 L450H442-S447 VanDerWaalsContact ND1-CB 3.3Å; H442-S447 WeakPolarHBondContact ND1-CB 3.42Å; G445-S447 VanDerWaalsContact C-N 3.3Å; G445-S447 PolarHBondContact O-N 3.14Å; S447-L449 PolarHBondContact O-N 2.57Å; S447-L450 PolarHBondContact O-N 2.98Å; S447-L450 VanDerWaalsContact O-N 3.13Å
448H81.7Confident66.6Low108 Ų10882.2 Ų82.250%0.547%0.471SS..G310 helixtrans-61.8-25.3176.271.1-92.2000113G445 L446 L450G445-H448 PolarHBondContact O-ND1 3.18Å; L446-H448 PolarHBondContact O-N 3.01Å; L446-H448 VanDerWaalsContact O-N 3.1Å; H448-L450 VanDerWaalsContact C-N 3.32Å
449L79Confident63.9Low8 Ų886.7 Ų86.74%0.04250%0.5CS..G310 helixtrans-71-26.9176.8-57.8174.3000112.7W398 N402 L409 R410 I414 L446 S447W398-L449 HydrophobicContact CH2-CD1 3.85Å; W398-L449 HydrophobicContact CZ2-CD1 4.05Å; N402-L449 WeakPolarHBondContact OD1-CD1 3.24Å; L409-L449 HydrophobicContact CD2-CD1 4.2Å; R410-L449 HydrophobicContact CG-CD2 4.33Å; R410-L449 VanDerWaalsContact NE-CD2 3.26Å; I414-L449 HydrophobicContact CD1-CB 3.63Å; L446-L449 HydrophobicContact CB-CD1 3.98Å; L446-L449 VanDerWaalsContact O-CB 3.31Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 WeakPolarHBondContact O-CG 3.18Å; L446-L449 PolarHBondContact O-N 2.94Å; S447-L449 PolarHBondContact O-N 2.57Å
450L79.9Confident61.4Low20 Ų2089.3 Ų89.311%0.10552%0.516CS..THydrogen-bonded Turntrans-81.4-19.6-177.8-56.6176.1000112.5I414 L438 I441 S447 H448 H452I414-L450 HydrophobicContact CD1-CD2 4.5Å; I414-L450 HydrophobicContact CG2-CD2 4.17Å; L438-L450 HydrophobicContact CD2-CD1 4Å; L438-L450 HydrophobicContact CD2-CD2 3.93Å; I441-L450 HydrophobicContact CB-CD1 4.43Å; I441-L450 HydrophobicContact CD1-CD2 4.32Å; I441-L450 HydrophobicContact CG2-CD1 3.93Å; I441-L450 HydrophobicContact CG2-CD2 4.28Å; I441-L450 HydrophobicContact CG2-CG 4.03Å; S447-L450 PolarHBondContact O-N 2.98Å; S447-L450 VanDerWaalsContact O-N 3.13Å; H448-L450 VanDerWaalsContact C-N 3.32Å; L450-H452 PolarHBondContact O-N 3.09Å; L450-H452 VanDerWaalsContact O-N 3.13Å
451N72.6Confident58.6Low111 Ų11198.3 Ų98.359%0.59455%0.554SS**  trans-86.379.5-173.5-75.1-29.5000112.5T453N451-T453 PolarHBondContact O-N 3.06Å
452H53.9Low55.9Low120 Ų120104.2 Ų104.256%0.55659%0.59SS**  trans-7265.1171.3-81.1-77.2000113.5R410 L450 K454R410-H452 PolarHBondContact O-NE2 3.43Å; L450-H452 PolarHBondContact O-N 3.09Å; L450-H452 VanDerWaalsContact O-N 3.13Å; H452-K454 PolarHBondContact O-N 3.5Å
453T37.6Very low53.4Low130 Ų130104.5 Ų104.580%0.79860%0.6SS**  trans-72.193.3169.136.30000111N451 G455N451-T453 PolarHBondContact O-N 3.06Å; T453-G455 PolarHBondContact O-N 3.48Å
454K37.2Very low51Low205 Ų205105.4 Ų105.489%0.89160%0.601SS**  trans-53.1105.1166.8-74178.1176.8173.80110H452 K456H452-K454 PolarHBondContact O-N 3.5Å; K454-K456 PolarHBondContact O-N 3.38Å
455G26.6Very low48.6Very low73 Ų73112 Ų11275%0.75362%0.62SS**  trans-71.4112.6177.300000112T453T453-G455 PolarHBondContact O-N 3.48Å
456K31.7Very low46.4Very low189 Ų189115 Ų11582%0.82263%0.629SS**  trans-163142.5157.2-112.9162.1-173.1177.30113K454K454-K456 PolarHBondContact O-N 3.38Å
457T31.9Very low44.2Very low132 Ų132118.4 Ų118.481%0.8165%0.652SS**  trans53.7107.6157.552.50000119.8
458S27.8Very low42Very low112 Ų112122.7 Ų122.778%0.78367%0.671SS**  trans-66.5142153.252.90000113.1
459T33Very low39.8Very low122 Ų122123.4 Ų123.475%0.74868%0.683SS**  trans-169.6134.9140.521.60000114.8
460I33.5Very low37.8Very low161 Ų161130.9 Ų130.983%0.82672%0.715SS**  trans75.8149.7140.7-64.6164.9000120.2
461K27.9Very low35.7Very low193 Ų193138.9 Ų138.984%0.83975%0.749SS**  trans-84.9169-175.9-57.9162.4-177.9170.90110.6
462T29.2Very low33.9Very low124 Ų124143.2 Ų143.276%0.76176%0.763SS**  171.1170.572.8-47.30000110.8
463T32.2Very low33Very low113 Ų113145.7 Ų145.769%0.69377%0.772SS**  trans97.567.6146-28.80000122.5
464T30.2Very low32.9Very low116 Ų116149.1 Ų149.171%0.71278%0.776SS**  42.9149.4125.861.30000126.3
465K32.1Very low32.7Very low189 Ų189146.6 Ų146.682%0.82277%0.767SS**  trans88149.4157.3-70.6167.4-179.21740116.6
466T33.7Very low33.1Very low112 Ų112148.8 Ų148.869%0.68777%0.771SS**  cis-152.115016.8-18.30000115.8
467T36Very low33.1Very low110 Ų110147 Ų14768%0.67577%0.771SS**  trans54117148.543.90000123.5
468L33.1Very low33.1Very low129 Ų129145.9 Ų145.968%0.67577%0.768SS**  80.8141.1100.1-69174.5000115.7K470L468-K470 HydrophobicContact CD2-CD 4.1Å; L468-K470 HydrophobicContact CD2-CG 4.48Å
469T36.5Very low33.4Very low123 Ų123145.5 Ų145.576%0.75577%0.765SS**  cis-136.2147.430.145.40000112.5
470K37.1Very low33.4Very low164 Ų164145.5 Ų145.571%0.71377%0.765SS**  56128.570.3-76.6176.9-176.7169.60113.5L468L468-K470 HydrophobicContact CD2-CD 4.1Å; L468-K470 HydrophobicContact CD2-CG 4.48Å
471K35.6Very low33.5Very low189 Ų189142.6 Ų142.682%0.82276%0.759SS**  cis-161.4166.110.1-85.6160.3176.5176.10106.7
472K35.9Very low33.7Very low201 Ų201142.7 Ų142.787%0.87476%0.759SS**  cis-139.3171.11.8-84.2165.7177.21710105.8
473K34.2Very low34Very low172 Ų172146 Ų14675%0.74877%0.766SS**  cis84.590.610.3-154.2-175.7-177.3-177.60121.1
474K35.3Very low33.9Very low203 Ų203145.4 Ų145.488%0.88377%0.767SS**  trans-175.6132.7140-100.1-175.3178.3-170.10108.2
475Q33.7Very low34.3Very low151 Ų151147.9 Ų147.971%0.70678%0.776SS**  cis99.89910-164.4-178.12.700116.6
476S34.4Very low34.2Very low120 Ų120148.7 Ų148.784%0.83978%0.78SS**  trans-163.4149.915552.20000111.4
477N31.5Very low34.4Very low152 Ų152149.7 Ų149.781%0.81379%0.785SS**  trans-103.8159.9-176.7-49.7-24.1000111.4
478S33.1Very low34.3Very low108 Ų108154.2 Ų154.276%0.75579%0.791SS**  177.9111.6127.553.50000115
479S33.6Very low34.3Very low103 Ų103154.4 Ų154.472%0.7279%0.793SS**  trans27.9148.6133.958.10000125.1
480T32.1Very low34.2Very low123 Ų123157.9 Ų157.976%0.75580%0.798SS**  trans84.9103138.836.90000123.3
481S35.2Very low34.3Very low100 Ų100155.2 Ų155.270%0.69980%0.799SS**  102.4140.3112.678.70000121.2
482K32.5Very low34.5Very low194 Ų194154.9 Ų154.984%0.84380%0.798SS**  trans37.7121.5145.9-60173.7-177.71790117
483Q36.8Very low34.6Very low193 Ų193152.5 Ų152.590%0.90279%0.788SS**  -167.7167.172.8-124.9158.5-17.200113.5
484S30.1Very low34.8Very low102 Ų102154.8 Ų154.871%0.71379%0.793SS**  trans-87.4151.2176.154.30000113.4
485N37.4Very low35Very low167 Ų167149.3 Ų149.389%0.89377%0.774SS**  trans-154.4141.5150.8-105.3-31.3000113.2
486K30.8Very low35.3Very low207 Ų207150.3 Ų150.390%0.978%0.778SS**  trans-97.7128171.9-79.5176.6166.4177.20109.7
487V36.8Very low35.4Very low132 Ų132148.4 Ų148.480%0.877%0.77SS**  trans-143.1115165-175.70000112.8
488Y34Very low35.9Very low205 Ų205147.8 Ų147.880%0.80477%0.767SS**  trans23.2126.3146.9-87-116.4000123.6
489N32.8Very low36.5Very low133 Ų133151.1 Ų151.171%0.71177%0.768SS**  34.3129.4121.6-65.9-26.6000121.9
490K36.1Very low37.2Very low197 Ų197158.1 Ų158.186%0.85779%0.789SS**  -176162.5113.8-105.1171179.3179.30114.5
491S39.4Very low37.5Very low107 Ų107159.9 Ų159.975%0.74879%0.79SS**  trans44.7121.1158.1460000119.1
492K38.6Very low37.6Very low182 Ų182163.1 Ų163.179%0.79180%0.795SS**  cis65.3141.734.3-93.2-163.7178.6-170.90117
493F37.6Very low37.9Very low151 Ų151161.3 Ų161.366%0.66279%0.792SS**  trans76.5141.1178.2-53.8-74.2000115.3
494Y39.7Very low38Very low220 Ų220159.5 Ų159.586%0.86379%0.786SS**  cis-108.7145.512.2-84.4-117.8000112.5
495N39.4Very low38.5Very low88 Ų88163.1 Ų163.147%0.47179%0.79SS.*  72.311054.1-80.815.7000113.3
496Q39.2Very low38.5Very low172 Ų172162.8 Ų162.880%0.80478%0.784SS**  71.9144.994.5-73.5179.1-32.600113.8
497A36.8Very low39.1Very low81 Ų81159.6 Ų159.667%0.66978%0.775SS**  cis-173.4173.9-14.500000107
498N41.2Very low39.3Very low139 Ų139161.8 Ų161.874%0.74377%0.773SS**  trans-178.2129.6145-105.7-58.6000113.5
499K47.4Very low39.7Very low178 Ų178158.2 Ų158.277%0.77477%0.771SS**  trans59.9130.6153.2-55165.2-171.6177.20117
500H48.4Very low40.3Very low250 Ų250160.5 Ų160.5100%1.15778%0.776SS**  cis-122.2015.9-121.2-65.3000113.7

Retrieved 500 of 500 residues in 98 ms (Link to these results)

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