A0A3Q0KSW6_SCHMA Loading...

Putative g-protein coupled receptor

AlphaFold DB , UniProt , Accession A0A3Q0KSW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 493 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
1M38.2Very low73.9Confident221 Ų22191.3 Ų91.3100%1.08946%0.464SS*.  0139.80-80.1170.3169.100107.1
2K51.4Low75.4Confident140 Ų14091.3 Ų91.361%0.60946%0.464SS*.PPolyproline II helixtrans-63128.1174.3-165174.6-172.3-169.30107.6E5K2-E5 WeakPolarHBondContact CE-OE1 3.46Å; K2-E5 IonicContact NZ-OE1 2.64Å; K2-E5 PolarHBondContact NZ-OE1 2.89Å
3P57.6Low76.8Confident62 Ų6289.9 Ų89.940%0.40346%0.458SS..PPolyproline II helixtrans-58147.9178.923.6-32.4000109.8E5P3-E5 PolarHBondContact O-N 2.94Å; P3-E5 VanDerWaalsContact O-N 3.09Å
4P62.9Low77.9Confident35 Ų3584.1 Ų84.123%0.22743%0.428CS..PPolyproline II helixtrans-53.2119.7176.127.6-41.1000110I6 D338 I341P4-I6 PolarHBondContact O-N 2.99Å; P4-D338 HydrophobicContact CB-CB 4.02Å; P4-D338 HydrophobicContact CG-CB 4.16Å; P4-I341 HydrophobicContact CG-CB 4.44Å; P4-I341 HydrophobicContact CG-CG2 3.96Å
5E71.7Confident79Confident108 Ų10880.3 Ų80.351%0.50541%0.414SS..PPolyproline II helixtrans-77.8126.6177.4-69.1-170.8-177.800110.3K2 P3K2-E5 WeakPolarHBondContact CE-OE1 3.46Å; K2-E5 IonicContact NZ-OE1 2.64Å; K2-E5 PolarHBondContact NZ-OE1 2.89Å; P3-E5 PolarHBondContact O-N 2.94Å; P3-E5 VanDerWaalsContact O-N 3.09Å
6I82.5Confident80Confident5 Ų580.1 Ų80.13%0.02642%0.417CS..PPolyproline II helixtrans-65.7126.4170.1-54.8175.4000107.8P4 R11 I14 F105 I341P4-I6 PolarHBondContact O-N 2.99Å; I6-R11 HydrophobicContact CB-CG 4.04Å; I6-R11 HydrophobicContact CG2-CG 3.87Å; I6-R11 PolarHBondContact O-NE 2.82Å; I6-R11 PolarHBondContact O-NH2 3.16Å; I6-I14 HydrophobicContact CD1-CD1 4.02Å; I6-I14 HydrophobicContact CG2-CD1 4.17Å; I6-F105 HydrophobicContact CD1-CB 4.5Å; I6-F105 HydrophobicContact CD1-CD1 4.02Å; I6-I341 HydrophobicContact CD1-CD1 3.77Å; I6-I341 HydrophobicContact CD1-CG1 4.08Å; I6-I341 HydrophobicContact CG1-CD1 3.68Å; I6-I341 HydrophobicContact CG1-CG1 4.31Å
7P87.3Confident80.8Confident78 Ų7879.5 Ų79.551%0.50641%0.414SS..PPolyproline II helixtrans-61.2151.6177.725.8-34.5000110.8F9 G10 R11P7-F9 PolarHBondContact O-N 2.9Å; P7-F9 VanDerWaalsContact O-N 3.14Å; P7-G10 WeakPolarHBondContact O-CA 3.41Å; P7-G10 PolarHBondContact O-N 3.47Å; P7-R11 PolarHBondContact O-N 3.17Å
8L88.4Confident81.5Confident133 Ų13375.2 Ų75.270%0.69639%0.392SS*.Hα-helixtrans-50.7-43.6-177-179.765.3000112.7G10 R11 I12L8-G10 VanDerWaalsContact C-N 3.31Å; L8-G10 PolarHBondContact O-N 2.97Å; L8-R11 PolarHBondContact O-N 3.11Å; L8-R11 VanDerWaalsContact O-N 3.15Å; L8-I12 HydrophobicContact CG-CD1 4.15Å; L8-I12 WeakPolarHBondContact O-CG1 3.34Å; L8-I12 PolarHBondContact O-N 3.05Å
9F91.4Very high82.2Confident152 Ų15274.7 Ų74.767%0.66740%0.396SS*.Hα-helixtrans-59.7-40.4176.7-175.4-107.5000112.6P7 I12 I13P7-F9 PolarHBondContact O-N 2.9Å; P7-F9 VanDerWaalsContact O-N 3.14Å; F9-I12 PolarHBondContact O-N 3.39Å; F9-I13 HydrophobicContact CD1-CD1 3.71Å; F9-I13 HydrophobicContact CE1-CD1 3.28Å; F9-I13 HydrophobicContact CE1-CG1 4.29Å; F9-I13 HydrophobicContact CE2-CD1 4.5Å; F9-I13 HydrophobicContact CG-CD1 4.48Å; F9-I13 HydrophobicContact CZ-CD1 3.73Å; F9-I13 HydrophobicContact CZ-CG1 4.38Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.38Å
10G90.1Very high82.8Confident17 Ų1775.3 Ų75.318%0.17540%0.398CS..Hα-helixtrans-62.6-43.4173.700000112.2P7 L8 I12 I13 I14P7-G10 WeakPolarHBondContact O-CA 3.41Å; P7-G10 PolarHBondContact O-N 3.47Å; L8-G10 VanDerWaalsContact C-N 3.31Å; L8-G10 PolarHBondContact O-N 2.97Å; G10-I12 VanDerWaalsContact C-N 3.33Å; G10-I12 PolarHBondContact O-N 3.43Å; G10-I13 PolarHBondContact O-N 3.36Å; G10-I14 WeakPolarHBondContact O-CD1 3.45Å; G10-I14 WeakPolarHBondContact O-CG1 3.34Å; G10-I14 PolarHBondContact O-N 3.45Å
11R91.1Very high83.4Confident53 Ų5373 Ų7320%0.239%0.386CS..Hα-helixtrans-61.7-40.4176.3-56.6-171.5-165.7-171.14112I6 P7 L8 I14 A15 F105 L106I6-R11 HydrophobicContact CB-CG 4.04Å; I6-R11 HydrophobicContact CG2-CG 3.87Å; I6-R11 PolarHBondContact O-NE 2.82Å; I6-R11 PolarHBondContact O-NH2 3.16Å; P7-R11 PolarHBondContact O-N 3.17Å; L8-R11 PolarHBondContact O-N 3.11Å; L8-R11 VanDerWaalsContact O-N 3.15Å; R11-I14 PolarHBondContact O-N 3.47Å; R11-A15 WeakPolarHBondContact O-CB 3.38Å; R11-A15 PolarHBondContact O-N 2.95Å; R11-F105 WeakPolarHBondContact CG-O 3.31Å; R11-L106 HydrophobicContact CB-CD2 4.18Å; R11-L106 WeakPolarHBondContact CD-O 3.09Å; R11-L106 PolarHBondContact NH1-O 3.45Å
12I92.7Very high86.2Confident91 Ų9164 Ų6447%0.46734%0.343SS..Hα-helixtrans-62-47.6175.5-66.8166.9000110.6L8 F9 G10 I14 A15 V16L8-I12 HydrophobicContact CG-CD1 4.15Å; L8-I12 WeakPolarHBondContact O-CG1 3.34Å; L8-I12 PolarHBondContact O-N 3.05Å; F9-I12 PolarHBondContact O-N 3.39Å; G10-I12 VanDerWaalsContact C-N 3.33Å; G10-I12 PolarHBondContact O-N 3.43Å; I12-I14 VanDerWaalsContact C-N 3.34Å; I12-I14 PolarHBondContact O-N 2.86Å; I12-A15 PolarHBondContact O-N 3.25Å; I12-V16 WeakPolarHBondContact O-CG2 3.19Å; I12-V16 PolarHBondContact O-N 3.41Å
13I93.4Very high88.3Confident74 Ų7461 Ų6138%0.37934%0.336SS..Hα-helixtrans-58.7-47.1177.7-71.7170.1000110.8F9 G10 A15 V16 I17F9-I13 HydrophobicContact CD1-CD1 3.71Å; F9-I13 HydrophobicContact CE1-CD1 3.28Å; F9-I13 HydrophobicContact CE1-CG1 4.29Å; F9-I13 HydrophobicContact CE2-CD1 4.5Å; F9-I13 HydrophobicContact CG-CD1 4.48Å; F9-I13 HydrophobicContact CZ-CD1 3.73Å; F9-I13 HydrophobicContact CZ-CG1 4.38Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.38Å; G10-I13 PolarHBondContact O-N 3.36Å; I13-A15 PolarHBondContact O-N 2.86Å; I13-V16 PolarHBondContact O-N 3.45Å; I13-I17 HydrophobicContact CG2-CD1 3.65Å; I13-I17 HydrophobicContact CG2-CG1 4.32Å; I13-I17 WeakPolarHBondContact O-CG1 3.44Å; I13-I17 PolarHBondContact O-N 2.85Å
14I92.3Very high90.1Very high8 Ų864.5 Ų64.54%0.04135%0.345CS..Hα-helixtrans-60.4-46.7179.4-65.3162.7000110.5I6 G10 R11 I12 V16 I17 V18 L101 F105 L345I6-I14 HydrophobicContact CD1-CD1 4.02Å; I6-I14 HydrophobicContact CG2-CD1 4.17Å; G10-I14 WeakPolarHBondContact O-CD1 3.45Å; G10-I14 WeakPolarHBondContact O-CG1 3.34Å; G10-I14 PolarHBondContact O-N 3.45Å; R11-I14 PolarHBondContact O-N 3.47Å; I12-I14 VanDerWaalsContact C-N 3.34Å; I12-I14 PolarHBondContact O-N 2.86Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 3.33Å; I14-I17 PolarHBondContact O-N 2.99Å; I14-V18 HydrophobicContact CG2-CG2 4.4Å; I14-V18 WeakPolarHBondContact O-CG2 3.37Å; I14-V18 PolarHBondContact O-N 3.22Å; I14-L101 HydrophobicContact CG2-CD1 3.58Å; I14-F105 HydrophobicContact CD1-CB 4.46Å; I14-F105 HydrophobicContact CG2-CB 4.12Å; I14-F105 HydrophobicContact CG2-CG 4.35Å; I14-L345 HydrophobicContact CD1-CD1 4.03Å; I14-L345 HydrophobicContact CD1-CD2 3.52Å; I14-L345 HydrophobicContact CD1-CG 4.41Å; I14-L345 HydrophobicContact CG1-CD1 3.99Å; I14-L345 HydrophobicContact CG1-CD2 3.71Å; I14-L345 HydrophobicContact CG1-CG 4.5Å; I14-L345 HydrophobicContact CG2-CD1 3.73Å
15A93.3Very high91.7Very high27 Ų2762.8 Ų62.822%0.22334%0.335CS..Hα-helixtrans-58.2-42.6177.400000111.8R11 I12 I13 S19 L106R11-A15 WeakPolarHBondContact O-CB 3.38Å; R11-A15 PolarHBondContact O-N 2.95Å; I12-A15 PolarHBondContact O-N 3.25Å; I13-A15 PolarHBondContact O-N 2.86Å; A15-S19 VanDerWaalsContact O-CB 3.24Å; A15-S19 WeakPolarHBondContact O-CB 3.21Å; A15-S19 PolarHBondContact O-N 3.11Å; A15-S19 PolarHBondContact O-OG 3.49Å; A15-L106 HydrophobicContact CB-CD2 4.06Å
16V94.8Very high92.9Very high77 Ų7759 Ų5947%0.46732%0.318SS..Hα-helixtrans-65.5-47177.8171.40000111I12 I13 I14 V18 S19 I20I12-V16 WeakPolarHBondContact O-CG2 3.19Å; I12-V16 PolarHBondContact O-N 3.41Å; I13-V16 PolarHBondContact O-N 3.45Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 3.33Å; V16-V18 PolarHBondContact O-N 3.46Å; V16-S19 PolarHBondContact O-N 3.18Å; V16-I20 HydrophobicContact CG1-CD1 3.85Å; V16-I20 VanDerWaalsContact O-CG1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.44Å; V16-I20 PolarHBondContact O-N 3.31Å
17I94.3Very high93.6Very high70 Ų7063.8 Ų63.836%0.35934%0.344SS..Hα-helixtrans-60.1-49.3179.6-69.3170.1000110.8I13 I14 S19 I20 L21 L349I13-I17 HydrophobicContact CG2-CD1 3.65Å; I13-I17 HydrophobicContact CG2-CG1 4.32Å; I13-I17 WeakPolarHBondContact O-CG1 3.44Å; I13-I17 PolarHBondContact O-N 2.85Å; I14-I17 PolarHBondContact O-N 2.99Å; I17-S19 VanDerWaalsContact C-N 3.34Å; I17-S19 PolarHBondContact O-N 3.13Å; I17-I20 WeakPolarHBondContact O-CB 3.47Å; I17-I20 PolarHBondContact O-N 3.13Å; I17-L21 HydrophobicContact CG2-CD1 4.37Å; I17-L21 WeakPolarHBondContact O-CG 3.49Å; I17-L21 PolarHBondContact O-N 3.13Å; I17-L349 HydrophobicContact CG2-CD1 4.39Å; I17-L349 HydrophobicContact CG2-CD2 3.91Å
18V93.5Very high93.9Very high2 Ų260.5 Ų60.51%0.01232%0.324CS..Hα-helixtrans-65.5-40.6179.7177.20000110.6I14 V16 I20 L21 V22 L101 L349 W352I14-V18 HydrophobicContact CG2-CG2 4.4Å; I14-V18 WeakPolarHBondContact O-CG2 3.37Å; I14-V18 PolarHBondContact O-N 3.22Å; V16-V18 PolarHBondContact O-N 3.46Å; V18-I20 VanDerWaalsContact C-N 3.29Å; V18-I20 PolarHBondContact O-N 3.41Å; V18-L21 WeakPolarHBondContact O-CB 3.49Å; V18-L21 PolarHBondContact O-N 2.93Å; V18-L21 VanDerWaalsContact O-N 3.1Å; V18-V22 HydrophobicContact CG1-CG2 4.24Å; V18-V22 VanDerWaalsContact O-CG2 3.28Å; V18-V22 WeakPolarHBondContact O-CG2 3.27Å; V18-V22 PolarHBondContact O-N 3.36Å; V18-L101 HydrophobicContact CB-CD1 4.28Å; V18-L101 HydrophobicContact CB-CD2 3.89Å; V18-L101 HydrophobicContact CG1-CB 4.44Å; V18-L101 HydrophobicContact CG1-CD2 3.78Å; V18-L101 HydrophobicContact CG1-CG 4.48Å; V18-L101 HydrophobicContact CG2-CD1 3.97Å; V18-L101 HydrophobicContact CG2-CD2 4.47Å; V18-L349 HydrophobicContact CG2-CD2 3.55Å; V18-W352 HydrophobicContact CG1-CE3 4.26Å; V18-W352 HydrophobicContact CG1-CZ3 4.2Å; V18-W352 HydrophobicContact CG2-CE3 3.99Å; V18-W352 HydrophobicContact CG2-CZ3 3.74Å
19S94.1Very high94.3Very high67 Ų6754.2 Ų54.247%0.46929%0.291SS..Hα-helixtrans-57.7-42.6174.9-59.70000112A15 V16 I17 V22 V23A15-S19 VanDerWaalsContact O-CB 3.24Å; A15-S19 WeakPolarHBondContact O-CB 3.21Å; A15-S19 PolarHBondContact O-N 3.11Å; A15-S19 PolarHBondContact O-OG 3.49Å; V16-S19 PolarHBondContact O-N 3.18Å; I17-S19 VanDerWaalsContact C-N 3.34Å; I17-S19 PolarHBondContact O-N 3.13Å; S19-V22 PolarHBondContact O-N 3.42Å; S19-V23 WeakPolarHBondContact O-CG2 3.43Å; S19-V23 PolarHBondContact O-N 3.3Å
20I95.1Very high94.4Very high85 Ų8550.6 Ų50.644%0.43628%0.281SS..Hα-helixtrans-61.2-47.7174.5-70.6167.6000110.4V16 I17 V18 V22 V23 F24V16-I20 HydrophobicContact CG1-CD1 3.85Å; V16-I20 VanDerWaalsContact O-CG1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.44Å; V16-I20 PolarHBondContact O-N 3.31Å; I17-I20 WeakPolarHBondContact O-CB 3.47Å; I17-I20 PolarHBondContact O-N 3.13Å; V18-I20 VanDerWaalsContact C-N 3.29Å; V18-I20 PolarHBondContact O-N 3.41Å; I20-V22 VanDerWaalsContact C-N 3.34Å; I20-V22 PolarHBondContact O-N 3.24Å; I20-V23 PolarHBondContact O-N 3.36Å; I20-F24 HydrophobicContact CG2-CD2 3.53Å; I20-F24 HydrophobicContact CG2-CE2 3.64Å; I20-F24 WeakPolarHBondContact O-CD2 3.21Å; I20-F24 PolarHBondContact O-N 3.39Å
21L95.7Very high94.5Very high28 Ų2852.4 Ų52.415%0.14729%0.287CS..Hα-helixtrans-58.6-43.7177-70.3176000112.1I17 V18 V23 F24 S25 L349 W352I17-L21 HydrophobicContact CG2-CD1 4.37Å; I17-L21 WeakPolarHBondContact O-CG 3.49Å; I17-L21 PolarHBondContact O-N 3.13Å; V18-L21 WeakPolarHBondContact O-CB 3.49Å; V18-L21 PolarHBondContact O-N 2.93Å; V18-L21 VanDerWaalsContact O-N 3.1Å; L21-V23 PolarHBondContact O-N 3.42Å; L21-F24 PolarHBondContact O-N 3.28Å; L21-S25 WeakPolarHBondContact O-CB 3.46Å; L21-S25 PolarHBondContact O-N 2.94Å; L21-L349 HydrophobicContact CD1-CD2 4.12Å; L21-W352 HydrophobicContact CD1-CB 4.42Å
22V95.9Very high94.5Very high31 Ų3149.9 Ų49.919%0.18828%0.278CS..Hα-helixtrans-59-48.7175.5179.50000110.4V18 S19 I20 T26 I93 L94V18-V22 HydrophobicContact CG1-CG2 4.24Å; V18-V22 VanDerWaalsContact O-CG2 3.28Å; V18-V22 WeakPolarHBondContact O-CG2 3.27Å; V18-V22 PolarHBondContact O-N 3.36Å; S19-V22 PolarHBondContact O-N 3.42Å; I20-V22 VanDerWaalsContact C-N 3.34Å; I20-V22 PolarHBondContact O-N 3.24Å; V22-T26 HydrophobicContact CG1-CG2 4Å; V22-T26 VanDerWaalsContact O-CB 3.25Å; V22-T26 WeakPolarHBondContact O-CB 3.39Å; V22-T26 WeakPolarHBondContact O-CG2 3.18Å; V22-T26 PolarHBondContact O-N 2.94Å; V22-T26 PolarHBondContact O-OG1 3.25Å; V22-I93 HydrophobicContact CB-CG1 4.26Å; V22-I93 HydrophobicContact CG2-CD1 4.14Å; V22-I93 HydrophobicContact CG2-CG1 3.95Å; V22-L94 HydrophobicContact CG1-CD2 4.34Å
23V96.2Very high94.4Very high77 Ų7747.4 Ų47.447%0.46727%0.265SS..Hα-helixtrans-61.8-49-179.8172.10000111.7S19 I20 L21 T26 L27S19-V23 WeakPolarHBondContact O-CG2 3.43Å; S19-V23 PolarHBondContact O-N 3.3Å; I20-V23 PolarHBondContact O-N 3.36Å; L21-V23 PolarHBondContact O-N 3.42Å; V23-T26 PolarHBondContact O-OG1 3.26Å; V23-T26 VanDerWaalsContact O-OG1 3.05Å; V23-L27 HydrophobicContact CG1-CD1 3.73Å; V23-L27 HydrophobicContact CG1-CG 4.39Å; V23-L27 WeakPolarHBondContact O-CB 3.4Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.5Å; V23-L27 PolarHBondContact O-N 2.99Å
24F96Very high94.2Very high136 Ų13646.8 Ų46.860%0.59627%0.266SS*.Hα-helixtrans-64.3-44.5-179.7-87.5-78000112.4I20 L21 G28I20-F24 HydrophobicContact CG2-CD2 3.53Å; I20-F24 HydrophobicContact CG2-CE2 3.64Å; I20-F24 WeakPolarHBondContact O-CD2 3.21Å; I20-F24 PolarHBondContact O-N 3.39Å; L21-F24 PolarHBondContact O-N 3.28Å; F24-G28 WeakPolarHBondContact O-CA 3.49Å; F24-G28 PolarHBondContact O-N 2.94Å
25S96.5Very high93.8Very high0 Ų046.7 Ų46.70%027%0.266CS..Hα-helixtrans-65.6-44.9179.9-174.60000111.7L21 N29 T355L21-S25 WeakPolarHBondContact O-CB 3.46Å; L21-S25 PolarHBondContact O-N 2.94Å; S25-N29 VanDerWaalsContact O-CB 3.28Å; S25-N29 WeakPolarHBondContact O-CB 3.5Å; S25-N29 PolarHBondContact O-N 2.94Å; S25-N29 PolarHBondContact O-ND2 3.39Å; S25-N29 PolarHBondContact OG-ND2 2.86Å; S25-T355 VanDerWaalsContact CB-OG1 3.31Å; S25-T355 WeakPolarHBondContact CB-OG1 3.38Å; S25-T355 WeakPolarHBondContact OG-CB 3.26Å; S25-T355 PolarHBondContact OG-OG1 3.32Å
26T96.9Very high93.3Very high27 Ų2746.6 Ų46.617%0.16626%0.262CS..Hα-helixtrans-65.9-51.5-179.353.80000111.8V22 V23 G28 T30 L90 I93 L94V22-T26 HydrophobicContact CG1-CG2 4Å; V22-T26 VanDerWaalsContact O-CB 3.25Å; V22-T26 WeakPolarHBondContact O-CB 3.39Å; V22-T26 WeakPolarHBondContact O-CG2 3.18Å; V22-T26 PolarHBondContact O-N 2.94Å; V22-T26 PolarHBondContact O-OG1 3.25Å; V23-T26 PolarHBondContact O-OG1 3.26Å; V23-T26 VanDerWaalsContact O-OG1 3.05Å; T26-G28 PolarHBondContact O-N 3.16Å; T26-T30 WeakPolarHBondContact O-CB 3.23Å; T26-T30 PolarHBondContact O-N 2.95Å; T26-T30 PolarHBondContact O-OG1 3.22Å; T26-L90 HydrophobicContact CG2-CD2 4.23Å; T26-I93 HydrophobicContact CG2-CG2 4.07Å; T26-L94 HydrophobicContact CG2-CD1 4.31Å; T26-L94 HydrophobicContact CG2-CD2 3.37Å; T26-L94 HydrophobicContact CG2-CG 3.85Å
27L95.7Very high92.7Very high107 Ų10747 Ų4756%0.5626%0.262SS*.Hα-helixtrans-60.8-47.3177.4-69.2177000110.8V23 T30 L31V23-L27 HydrophobicContact CG1-CD1 3.73Å; V23-L27 HydrophobicContact CG1-CG 4.39Å; V23-L27 WeakPolarHBondContact O-CB 3.4Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.5Å; V23-L27 PolarHBondContact O-N 2.99Å; L27-T30 PolarHBondContact O-N 2.9Å; L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.37Å; L27-L31 PolarHBondContact O-N 3.25Å
28G94.8Very high91.7Very high9 Ų946.2 Ų46.29%0.09325%0.254CS..Hα-helixtrans-60.7-55-178.700000112.2F24 T26 T30 L31 V32 P359F24-G28 WeakPolarHBondContact O-CA 3.49Å; F24-G28 PolarHBondContact O-N 2.94Å; T26-G28 PolarHBondContact O-N 3.16Å; G28-T30 VanDerWaalsContact C-N 3.32Å; G28-T30 PolarHBondContact O-N 3.43Å; G28-L31 WeakPolarHBondContact O-CB 3.36Å; G28-L31 PolarHBondContact O-N 3.3Å; G28-V32 WeakPolarHBondContact O-CG2 3.34Å; G28-V32 PolarHBondContact O-N 3.19Å; G28-P359 VanDerWaalsContact CA-CG 3.42Å
29N95.7Very high90.2Very high0 Ų049.2 Ų49.20%027%0.267CS..Hα-helixtrans-68.3-32.6-177.8-73.9-62.7000112.1S25 V32 L33 L90 T355S25-N29 VanDerWaalsContact O-CB 3.28Å; S25-N29 WeakPolarHBondContact O-CB 3.5Å; S25-N29 PolarHBondContact O-N 2.94Å; S25-N29 PolarHBondContact O-ND2 3.39Å; S25-N29 PolarHBondContact OG-ND2 2.86Å; N29-V32 WeakPolarHBondContact O-CB 3.34Å; N29-V32 PolarHBondContact O-N 2.9Å; N29-L33 WeakPolarHBondContact O-CG 3.46Å; N29-L33 PolarHBondContact O-N 2.9Å; N29-L90 HydrophobicContact CB-CD1 4.28Å; N29-L90 HydrophobicContact CB-CD2 3.97Å; N29-L90 HydrophobicContact CB-CG 3.83Å; N29-T355 PolarHBondContact ND2-O 2.9Å
30T94.5Very high88.6Confident76 Ų7651.7 Ų51.747%0.46627%0.266SS..Hα-helixtrans-64-43171.9-58.50000111.8T26 L27 G28 V32 L33 C34T26-T30 WeakPolarHBondContact O-CB 3.23Å; T26-T30 PolarHBondContact O-N 2.95Å; T26-T30 PolarHBondContact O-OG1 3.22Å; L27-T30 PolarHBondContact O-N 2.9Å; G28-T30 VanDerWaalsContact C-N 3.32Å; G28-T30 PolarHBondContact O-N 3.43Å; T30-V32 VanDerWaalsContact C-N 3.29Å; T30-V32 PolarHBondContact O-N 3.47Å; T30-L33 PolarHBondContact O-N 3.16Å; T30-C34 WeakPolarHBondContact O-CB 3.4Å; T30-C34 PolarHBondContact O-N 3.02Å
31L91.7Very high86.8Confident55 Ų5551.1 Ų51.129%0.28827%0.267SS..Hα-helixtrans-61.6-39.4174-75.1171.1000111.5L27 G28 C34 V35 L373L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.37Å; L27-L31 PolarHBondContact O-N 3.25Å; G28-L31 WeakPolarHBondContact O-CB 3.36Å; G28-L31 PolarHBondContact O-N 3.3Å; L31-C34 PolarHBondContact O-N 3.46Å; L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 3.3Å; L31-L373 HydrophobicContact CB-CD2 4.35Å; L31-L373 HydrophobicContact CD2-CD2 4.08Å
32V91.2Very high84.9Confident1 Ų152.1 Ų52.11%0.00628%0.276CS..Hα-helixtrans-59.3-51.2175176.10000110.9G28 N29 T30 C34 V35 L36 S86 P359 Y362 F369G28-V32 WeakPolarHBondContact O-CG2 3.34Å; G28-V32 PolarHBondContact O-N 3.19Å; N29-V32 WeakPolarHBondContact O-CB 3.34Å; N29-V32 PolarHBondContact O-N 2.9Å; T30-V32 VanDerWaalsContact C-N 3.29Å; T30-V32 PolarHBondContact O-N 3.47Å; V32-C34 VanDerWaalsContact C-N 3.3Å; V32-C34 PolarHBondContact O-N 3.27Å; V32-V35 PolarHBondContact O-N 3.33Å; V32-L36 HydrophobicContact CG1-CD1 3.72Å; V32-L36 HydrophobicContact CG1-CG 4.11Å; V32-L36 WeakPolarHBondContact O-CB 3.22Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 2.66Å; V32-S86 VanDerWaalsContact CG1-OG 3.29Å; V32-S86 WeakPolarHBondContact CG1-OG 3.42Å; V32-P359 HydrophobicContact CG2-CB 4.13Å; V32-P359 HydrophobicContact CG2-CG 4.07Å; V32-Y362 HydrophobicContact CB-CD2 4.47Å; V32-Y362 HydrophobicContact CG1-CD2 3.96Å; V32-Y362 HydrophobicContact CG1-CE2 3.91Å; V32-Y362 HydrophobicContact CG2-CD2 3.58Å; V32-Y362 HydrophobicContact CG2-CE2 4.08Å; V32-F369 HydrophobicContact CB-CE2 4.28Å; V32-F369 HydrophobicContact CB-CZ 4.29Å; V32-F369 HydrophobicContact CG1-CE2 4.43Å; V32-F369 HydrophobicContact CG2-CE2 3.98Å; V32-F369 HydrophobicContact CG2-CZ 3.66Å
33L91.7Very high82.6Confident39 Ų3952.4 Ų52.420%0.20428%0.279CS..Hα-helixtrans-57.8-43.3176.9-67.5172.9000112N29 T30 L36 N37 V83 L87 L90N29-L33 WeakPolarHBondContact O-CG 3.46Å; N29-L33 PolarHBondContact O-N 2.9Å; T30-L33 PolarHBondContact O-N 3.16Å; L33-L36 PolarHBondContact O-N 2.84Å; L33-N37 VanDerWaalsContact O-CB 3.29Å; L33-N37 WeakPolarHBondContact O-CB 3.39Å; L33-N37 PolarHBondContact O-N 2.98Å; L33-V83 HydrophobicContact CD2-CB 4.23Å; L33-V83 HydrophobicContact CD2-CG1 3.74Å; L33-V83 HydrophobicContact CD2-CG2 4.24Å; L33-L87 HydrophobicContact CD1-CD2 3.88Å; L33-L87 HydrophobicContact CD2-CD2 4.37Å; L33-L87 HydrophobicContact CD2-CG 4.23Å; L33-L90 HydrophobicContact CD1-CD1 3.67Å
34C88.7Confident80.4Confident60 Ų6052.7 Ų52.741%0.40528%0.275SS..Hα-helixtrans-60.8-50.9178.2-172.20000112T30 L31 V32 L36 N37 R38T30-C34 WeakPolarHBondContact O-CB 3.4Å; T30-C34 PolarHBondContact O-N 3.02Å; L31-C34 PolarHBondContact O-N 3.46Å; V32-C34 VanDerWaalsContact C-N 3.3Å; V32-C34 PolarHBondContact O-N 3.27Å; C34-L36 PolarHBondContact O-N 3.47Å; C34-N37 PolarHBondContact O-N 3.37Å; C34-R38 PolarHBondContact O-N 3.25Å
35V84.3Confident78.1Confident6 Ų651.9 Ų51.94%0.03627%0.273CS..Hα-helixtrans-63.2-43.3179.4169.70000111.3L31 V32 N37 R38 K39 F369 E372 L373 I376L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 3.3Å; V32-V35 PolarHBondContact O-N 3.33Å; V35-N37 VanDerWaalsContact C-N 3.28Å; V35-N37 PolarHBondContact O-N 3.46Å; V35-R38 PolarHBondContact O-N 3.4Å; V35-K39 PolarHBondContact O-N 3.39Å; V35-F369 HydrophobicContact CB-CD2 3.95Å; V35-F369 HydrophobicContact CB-CE2 3.54Å; V35-F369 HydrophobicContact CB-CZ 4.19Å; V35-F369 HydrophobicContact CG1-CD2 3.47Å; V35-F369 VanDerWaalsContact CG1-CD2 3.47Å; V35-F369 HydrophobicContact CG1-CE2 3.64Å; V35-F369 HydrophobicContact CG1-CG 4.28Å; V35-F369 HydrophobicContact CG2-CD2 4.28Å; V35-F369 HydrophobicContact CG2-CE2 3.82Å; V35-F369 HydrophobicContact CG2-CZ 3.99Å; V35-E372 HydrophobicContact CG1-CB 3.72Å; V35-E372 HydrophobicContact CG1-CG 4.14Å; V35-E372 HydrophobicContact CG2-CB 4.39Å; V35-L373 HydrophobicContact CG2-CD2 3.67Å; V35-L373 HydrophobicContact CG2-CG 4.01Å; V35-I376 HydrophobicContact CG2-CD1 3.8Å
36L83.1Confident75.4Confident25 Ų2555 Ų5513%0.13130%0.295CS..Hα-helixtrans-66-32178.6-67-173.4000112.2V32 L33 C34 Y79 L82 V83V32-L36 HydrophobicContact CG1-CD1 3.72Å; V32-L36 HydrophobicContact CG1-CG 4.11Å; V32-L36 WeakPolarHBondContact O-CB 3.22Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 2.66Å; L33-L36 PolarHBondContact O-N 2.84Å; C34-L36 PolarHBondContact O-N 3.47Å; L36-Y79 HydrophobicContact CD2-CD1 3.36Å; L36-Y79 HydrophobicContact CD2-CE1 3.65Å; L36-Y79 HydrophobicContact CD2-CG 4.45Å; L36-L82 HydrophobicContact CD1-CB 3.88Å; L36-V83 HydrophobicContact CB-CG2 4.04Å; L36-V83 HydrophobicContact CD1-CG2 3.69Å
37N80.6Confident72.7Confident87 Ų8757.8 Ų57.847%0.46531%0.306SS..Hα-helixtrans-79.1-37.2175-165.544.6000112.9L33 C34 V35 K39 R40 T41L33-N37 VanDerWaalsContact O-CB 3.29Å; L33-N37 WeakPolarHBondContact O-CB 3.39Å; L33-N37 PolarHBondContact O-N 2.98Å; C34-N37 PolarHBondContact O-N 3.37Å; V35-N37 VanDerWaalsContact C-N 3.28Å; V35-N37 PolarHBondContact O-N 3.46Å; N37-K39 PolarHBondContact O-N 2.93Å; N37-R40 WeakPolarHBondContact O-CA 3.35Å; N37-R40 WeakPolarHBondContact O-CB 3.4Å; N37-R40 PolarHBondContact O-N 3.21Å; N37-T41 PolarHBondContact O-N 3.5Å
38R73.6Confident70Confident53 Ų5361.1 Ų61.120%0.231%0.311CS..Hα-helixtrans-61.1-32.6175.1-176.7174.5170.8157-1.5112.3C34 V35 R40 T41 S42 E375 I376C34-R38 PolarHBondContact O-N 3.25Å; V35-R38 PolarHBondContact O-N 3.4Å; R38-R40 PolarHBondContact O-N 3.32Å; R38-T41 PolarHBondContact O-N 2.99Å; R38-T41 PolarHBondContact O-OG1 2.93Å; R38-S42 PolarHBondContact O-N 3.47Å; R38-S42 PolarHBondContact O-OG 2.94Å; R38-S42 VanDerWaalsContact O-OG 3.09Å; R38-E375 IonicContact CZ-OE2 3.54Å; R38-E375 IonicContact NE-OE2 3.84Å; R38-E375 PolarHBondContact NH1-O 3.22Å; R38-E375 VanDerWaalsContact NH2-CB 3.34Å; R38-E375 IonicContact NH2-OE2 2.79Å; R38-E375 PolarHBondContact NH2-OE2 3.2Å; R38-I376 VanDerWaalsContact NH1-CG1 3.29Å
39K62.8Low67.3Low64 Ų6467 Ų6728%0.27834%0.335SS..Hα-helixtrans-62.1-30.4172.5-161.5169.5-174.9168.10112.3V35 N37 S43 Y79V35-K39 PolarHBondContact O-N 3.39Å; N37-K39 PolarHBondContact O-N 2.93Å; K39-S43 VanDerWaalsContact O-CB 3.24Å; K39-S43 WeakPolarHBondContact O-CB 3.37Å; K39-S43 PolarHBondContact O-N 2.9Å; K39-S43 VanDerWaalsContact O-N 3.1Å; K39-S43 PolarHBondContact O-OG 3.11Å; K39-Y79 HydrophobicContact CD-CE2 4.28Å; K39-Y79 PolarHBondContact NZ-OH 3.32Å
40R60.7Low64.8Low119 Ų11969.6 Ų69.645%0.44935%0.35SS..Hα-helixtrans-63-51.1173.5-171.1-175.1176.8171.7-3.4110.7N37 R38 S43 Q44N37-R40 WeakPolarHBondContact O-CA 3.35Å; N37-R40 WeakPolarHBondContact O-CB 3.4Å; N37-R40 PolarHBondContact O-N 3.21Å; R38-R40 PolarHBondContact O-N 3.32Å; R40-S43 PolarHBondContact O-OG 3.16Å; R40-Q44 WeakPolarHBondContact O-CG 3.42Å; R40-Q44 PolarHBondContact O-N 3.36Å; R40-Q44 VanDerWaalsContact O-N 3.13Å
41T56.1Low62.2Low74 Ų7470.6 Ų70.645%0.45435%0.35SS..Hα-helixtrans-68.7-43.7-175.855.30000111.8N37 R38 S43 Q44 Q45N37-T41 PolarHBondContact O-N 3.5Å; R38-T41 PolarHBondContact O-N 2.99Å; R38-T41 PolarHBondContact O-OG1 2.93Å; T41-S43 PolarHBondContact O-N 2.87Å; T41-Q44 PolarHBondContact O-N 3Å; T41-Q45 WeakPolarHBondContact O-CB 3.44Å; T41-Q45 PolarHBondContact O-N 3.09Å
42S55.6Low59.7Low49 Ų4970.9 Ų70.934%0.34336%0.356SS..Hα-helixtrans-64.2-40.3178.9-55.10000112.1R38 Q45 S46R38-S42 PolarHBondContact O-N 3.47Å; R38-S42 PolarHBondContact O-OG 2.94Å; R38-S42 VanDerWaalsContact O-OG 3.09Å; S42-Q45 PolarHBondContact O-N 3.25Å; S42-S46 WeakPolarHBondContact O-CB 3.24Å; S42-S46 PolarHBondContact O-N 3.34Å
43S49.2Very low57.2Low36 Ų3674.8 Ų74.825%0.25238%0.38SS..Hα-helixtrans-65.4-40.4176.267.30000112.6K39 R40 T41 Q47K39-S43 VanDerWaalsContact O-CB 3.24Å; K39-S43 WeakPolarHBondContact O-CB 3.37Å; K39-S43 PolarHBondContact O-N 2.9Å; K39-S43 VanDerWaalsContact O-N 3.1Å; K39-S43 PolarHBondContact O-OG 3.11Å; R40-S43 PolarHBondContact O-OG 3.16Å; T41-S43 PolarHBondContact O-N 2.87Å; S43-Q47 VanDerWaalsContact O-CB 3.27Å; S43-Q47 WeakPolarHBondContact O-CB 3.49Å; S43-Q47 PolarHBondContact O-N 3.5Å
44Q50Low54.8Low83 Ų8376.8 Ų76.839%0.38839%0.394SS..Hα-helixtrans-67.5-37.4176.1-73.3179.2-23.700112.6R40 T41 Q47 R48R40-Q44 WeakPolarHBondContact O-CG 3.42Å; R40-Q44 PolarHBondContact O-N 3.36Å; R40-Q44 VanDerWaalsContact O-N 3.13Å; T41-Q44 PolarHBondContact O-N 3Å; Q44-Q47 PolarHBondContact O-N 3.46Å; Q44-R48 PolarHBondContact O-N 2.9Å
45Q46.1Very low52.6Low119 Ų11982 Ų8256%0.55641%0.412SS*.Hα-helixtrans-73.4-38.1178.9-162.5178.414.200111.8T41 S42 Q47 K49T41-Q45 WeakPolarHBondContact O-CB 3.44Å; T41-Q45 PolarHBondContact O-N 3.09Å; S42-Q45 PolarHBondContact O-N 3.25Å; Q45-Q47 VanDerWaalsContact C-N 3.35Å; Q45-K49 PolarHBondContact O-N 3.31Å; Q45-K49 VanDerWaalsContact O-N 3.15Å
46S40.2Very low50.3Low66 Ų6687 Ų8746%0.46245%0.446SS..Hα-helixtrans-62.8-43.5170.3-172.50000110.7S42 K49 T50S42-S46 WeakPolarHBondContact O-CB 3.24Å; S42-S46 PolarHBondContact O-N 3.34Å; S46-K49 PolarHBondContact O-N 3.03Å; S46-T50 PolarHBondContact O-N 3.27Å; S46-T50 PolarHBondContact O-OG1 2.98Å
47Q40.3Very low48.3Very low85 Ų8595.3 Ų95.340%0.39748%0.477SS..Hα-helixtrans-60.1-47.5179-176.3171.4-6.400112.1S43 Q44 Q45 K49 T50 E51 L72S43-Q47 VanDerWaalsContact O-CB 3.27Å; S43-Q47 WeakPolarHBondContact O-CB 3.49Å; S43-Q47 PolarHBondContact O-N 3.5Å; Q44-Q47 PolarHBondContact O-N 3.46Å; Q45-Q47 VanDerWaalsContact C-N 3.35Å; Q47-K49 VanDerWaalsContact C-N 3.31Å; Q47-K49 PolarHBondContact O-N 3.36Å; Q47-T50 PolarHBondContact O-N 3.43Å; Q47-E51 HydrophobicContact CG-CG 4.43Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.3Å; Q47-E51 PolarHBondContact NE2-OE1 3.29Å; Q47-E51 WeakPolarHBondContact O-CB 3.45Å; Q47-E51 VanDerWaalsContact O-CG 3.31Å; Q47-E51 WeakPolarHBondContact O-CG 2.92Å; Q47-E51 PolarHBondContact O-N 3.18Å; Q47-L72 HydrophobicContact CB-CD2 3.84Å; Q47-L72 HydrophobicContact CG-CD2 3.69Å
48R40.2Very low46.2Very low177 Ų17793.9 Ų93.967%0.66848%0.484SS*.Hα-helixtrans-59.8-38.7174.8-74.6-172.3-124.3-166.8-0.8113Q44 S52Q44-R48 PolarHBondContact O-N 2.9Å; R48-S52 WeakPolarHBondContact O-CB 3.36Å; R48-S52 PolarHBondContact O-N 2.98Å; R48-S52 PolarHBondContact O-OG 3.37Å
49K38.1Very low44.7Very low133 Ų133101.1 Ų101.158%0.57852%0.516SS*.Hα-helixtrans-66.9-45.6176-78.5-179.3178.21780111.6Q45 S46 Q47 S52 V53Q45-K49 PolarHBondContact O-N 3.31Å; Q45-K49 VanDerWaalsContact O-N 3.15Å; S46-K49 PolarHBondContact O-N 3.03Å; Q47-K49 VanDerWaalsContact C-N 3.31Å; Q47-K49 PolarHBondContact O-N 3.36Å; K49-S52 WeakPolarHBondContact CA-OG 3.48Å; K49-S52 PolarHBondContact O-N 3.2Å; K49-S52 PolarHBondContact O-OG 3.15Å; K49-V53 VanDerWaalsContact O-CG2 3.3Å; K49-V53 WeakPolarHBondContact O-CG2 3.39Å; K49-V53 PolarHBondContact O-N 3Å
50T41.7Very low43.8Very low54 Ų54106.3 Ų106.333%0.33154%0.541SS..Hα-helixtrans-65.7-41.1178.5-33.30000111.3S46 Q47 S52 V53 V54S46-T50 PolarHBondContact O-N 3.27Å; S46-T50 PolarHBondContact O-OG1 2.98Å; Q47-T50 PolarHBondContact O-N 3.43Å; T50-S52 PolarHBondContact O-N 3.27Å; T50-V53 PolarHBondContact O-N 2.9Å; T50-V54 HydrophobicContact CG2-CG2 4.41Å; T50-V54 WeakPolarHBondContact O-CB 3.43Å; T50-V54 VanDerWaalsContact O-CG2 3.24Å; T50-V54 WeakPolarHBondContact O-CG2 3.43Å; T50-V54 PolarHBondContact O-N 3.28Å
51E40.6Very low42.8Very low97 Ų97107 Ų10745%0.45355%0.549SS..Hα-helixtrans-59.8-44.6173.6-73.9166.7-177.300110.8Q47 V53 V54 Q55Q47-E51 HydrophobicContact CG-CG 4.43Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.3Å; Q47-E51 PolarHBondContact NE2-OE1 3.29Å; Q47-E51 WeakPolarHBondContact O-CB 3.45Å; Q47-E51 VanDerWaalsContact O-CG 3.31Å; Q47-E51 WeakPolarHBondContact O-CG 2.92Å; Q47-E51 PolarHBondContact O-N 3.18Å; E51-V53 PolarHBondContact O-N 3.26Å; E51-V54 PolarHBondContact O-N 3.08Å; E51-Q55 WeakPolarHBondContact O-CB 3.48Å; E51-Q55 PolarHBondContact O-N 2.97Å
52S38.5Very low41.8Very low61 Ų61108.7 Ų108.743%0.42756%0.564SS.*Hα-helixtrans-63.6-37.1175.669.90000113.8R48 K49 T50 C56R48-S52 WeakPolarHBondContact O-CB 3.36Å; R48-S52 PolarHBondContact O-N 2.98Å; R48-S52 PolarHBondContact O-OG 3.37Å; K49-S52 WeakPolarHBondContact CA-OG 3.48Å; K49-S52 PolarHBondContact O-N 3.2Å; K49-S52 PolarHBondContact O-OG 3.15Å; T50-S52 PolarHBondContact O-N 3.27Å; S52-C56 PolarHBondContact O-N 3.42Å
53V39.6Very low41.1Very low83 Ų83113.9 Ų113.950%0.50359%0.587SS.*Hα-helixtrans-74.6-41.1179.2173.10000111.2K49 T50 E51 Q55 C56 Y57K49-V53 VanDerWaalsContact O-CG2 3.3Å; K49-V53 WeakPolarHBondContact O-CG2 3.39Å; K49-V53 PolarHBondContact O-N 3Å; T50-V53 PolarHBondContact O-N 2.9Å; E51-V53 PolarHBondContact O-N 3.26Å; V53-Q55 VanDerWaalsContact C-N 3.3Å; V53-Q55 PolarHBondContact O-N 2.76Å; V53-C56 PolarHBondContact O-N 3.33Å; V53-Y57 HydrophobicContact CG1-CD2 4.37Å; V53-Y57 PolarHBondContact O-N 3.37Å; V53-Y57 VanDerWaalsContact O-N 3.15Å
54V41.4Very low40.6Very low82 Ų82118.9 Ų118.950%0.49761%0.607SS.*Hα-helixtrans-65.8-35.9175.6172.40000110.6T50 E51 C56 Y57 G58T50-V54 HydrophobicContact CG2-CG2 4.41Å; T50-V54 WeakPolarHBondContact O-CB 3.43Å; T50-V54 VanDerWaalsContact O-CG2 3.24Å; T50-V54 WeakPolarHBondContact O-CG2 3.43Å; T50-V54 PolarHBondContact O-N 3.28Å; E51-V54 PolarHBondContact O-N 3.08Å; V54-C56 VanDerWaalsContact C-N 3.29Å; V54-C56 PolarHBondContact O-N 3.11Å; V54-Y57 PolarHBondContact O-N 3.27Å; V54-G58 VanDerWaalsContact O-CA 3.32Å; V54-G58 WeakPolarHBondContact O-CA 3.29Å; V54-G58 PolarHBondContact O-N 2.93Å
55Q42.9Very low40Very low169 Ų169119.1 Ų119.179%0.7961%0.614SS**Hα-helixtrans-67.4-28.3175.3-164.6159.1-6.700112.7E51 V53E51-Q55 WeakPolarHBondContact O-CB 3.48Å; E51-Q55 PolarHBondContact O-N 2.97Å; V53-Q55 VanDerWaalsContact C-N 3.3Å; V53-Q55 PolarHBondContact O-N 2.76Å
56C36.2Very low39.4Very low111 Ų111117.9 Ų117.975%0.7562%0.619SS**Hα-helixtrans-77.4-29.3172-76.20000114.3S52 V53 V54S52-C56 PolarHBondContact O-N 3.42Å; V53-C56 PolarHBondContact O-N 3.33Å; V54-C56 VanDerWaalsContact C-N 3.29Å; V54-C56 PolarHBondContact O-N 3.11Å
57Y40.3Very low39.1Very low199 Ų199122.7 Ų122.778%0.7864%0.636SS**Hα-helixtrans-100.6-10.6-177.3-86.6-92.5000114.1V53 V54 K59V53-Y57 HydrophobicContact CG1-CD2 4.37Å; V53-Y57 PolarHBondContact O-N 3.37Å; V53-Y57 VanDerWaalsContact O-N 3.15Å; V54-Y57 PolarHBondContact O-N 3.27Å; Y57-K59 PolarHBondContact O-N 3.01Å
58G36.4Very low38.8Very low58 Ų58125.1 Ų125.160%0.59865%0.65SS**THydrogen-bonded Turntrans-87.927.5-164.100000117.7V54V54-G58 VanDerWaalsContact O-CA 3.32Å; V54-G58 WeakPolarHBondContact O-CA 3.29Å; V54-G58 PolarHBondContact O-N 2.93Å
59K41.8Very low38.2Very low204 Ų204118.8 Ų118.889%0.88764%0.64SS**THydrogen-bonded Turntrans-93-1.4172.2-126.8179.7-175.6-178.30114.5Y57Y57-K59 PolarHBondContact O-N 3.01Å
60H43.1Very low38Very low173 Ų173117.7 Ų117.780%0.80164%0.639SS**SBendtrans-138.56.3-170.9-107-82000118.7
61H40.4Very low37.5Very low133 Ų133120.5 Ų120.562%0.61666%0.656SS**  trans-145.386.6177.5-108.2-95.6000111.9
62S35.8Very low37Very low111 Ų111118.8 Ų118.878%0.77665%0.65SS**  trans-86.91.7-170.751.10000116.2
63L40.4Very low36.9Very low157 Ų157119.2 Ų119.282%0.82266%0.657SS**SBendtrans-132.1-7.4-170.1-87.6138.2000117.5
64Q37.9Very low36.8Very low142 Ų142123.8 Ų123.866%0.66467%0.67SS**SBendtrans-114.2-9.8178.9-85.3176.7-22.800115.1S66Q64-S66 VanDerWaalsContact C-N 3.27Å; Q64-S66 PolarHBondContact O-N 2.97Å
65T37.3Very low37.3Very low87 Ų87124.6 Ų124.653%0.53467%0.665SS.*Hα-helixtrans-74.8-14.2-179.642.50000113.6M67 G69T65-M67 VanDerWaalsContact C-N 3.34Å; T65-M67 PolarHBondContact O-N 3.42Å; T65-G69 PolarHBondContact O-N 3.16Å
66S33.6Very low38.6Very low94 Ų94118.4 Ų118.466%0.65764%0.64SS**Hα-helixtrans-68.4-26.9179.7-167.80000113.5Q64 I70Q64-S66 VanDerWaalsContact C-N 3.27Å; Q64-S66 PolarHBondContact O-N 2.97Å; S66-I70 WeakPolarHBondContact O-CD1 3.43Å; S66-I70 WeakPolarHBondContact O-CG1 3.11Å
67M34.7Very low40.8Very low166 Ų166113.9 Ų113.982%0.81861%0.609SS**Hα-helixtrans-90.6-28178.1-81.5-167.2-163.300114.6T65T65-M67 VanDerWaalsContact C-N 3.34Å; T65-M67 PolarHBondContact O-N 3.42Å
68I33.1Very low43Very low136 Ų136104.8 Ų104.870%0.69757%0.574SS**Hα-helixtrans-85.7-23.2-173.5-62.3169.6000111.5I70 T71I68-I70 VanDerWaalsContact C-N 3.31Å; I68-I70 PolarHBondContact O-N 3.26Å; I68-T71 PolarHBondContact O-OG1 2.83Å
69G29.2Very low45.3Very low45 Ų45104.2 Ų104.246%0.46455%0.554SS.*G310 helixtrans-74.5-9.3172.900000115.8T65 T71T65-G69 PolarHBondContact O-N 3.16Å; G69-T71 VanDerWaalsContact C-N 3.34Å; G69-T71 PolarHBondContact O-N 3.27Å
70I32.8Very low47.6Very low109 Ų10995.1 Ų95.156%0.55952%0.515SS*.G310 helixtrans-84.3-7.2-172.3-65175000113.1S66 I68S66-I70 WeakPolarHBondContact O-CD1 3.43Å; S66-I70 WeakPolarHBondContact O-CG1 3.11Å; I68-I70 VanDerWaalsContact C-N 3.31Å; I68-I70 PolarHBondContact O-N 3.26Å
71T30.5Very low50.1Low113 Ų11386.9 Ų86.969%0.69348%0.477SS*.G310 helixtrans-92.89.4175.9200000114.8I68 G69I68-T71 PolarHBondContact O-OG1 2.83Å; G69-T71 VanDerWaalsContact C-N 3.34Å; G69-T71 PolarHBondContact O-N 3.27Å
72L31.3Very low52.5Low61 Ų6181 Ų8132%0.31945%0.45SS..SBendtrans-63138.9166.2-98.781.3000110Q47 K74Q47-L72 HydrophobicContact CB-CD2 3.84Å; Q47-L72 HydrophobicContact CG-CD2 3.69Å; L72-K74 PolarHBondContact O-N 3.07Å
73A37Very low55.2Low70 Ų7077.5 Ų77.558%0.57942%0.424SS*.  trans-59.774.7-174.500000113.3R75A73-R75 PolarHBondContact O-N 3.39Å; A73-R75 VanDerWaalsContact O-N 3.14Å
74K36.9Very low57.9Low179 Ų17970.4 Ų70.478%0.77839%0.387SS*.  trans-53.4122.7167.8-87.5-174.2174.6-177.80107.5L72 S76L72-K74 PolarHBondContact O-N 3.07Å; K74-S76 PolarHBondContact O-N 3.44Å
75R52.4Low60.6Low99 Ų9963.7 Ų63.737%0.37436%0.355SS..  trans-47.9107.9169.6-174.7178-175.3170.82.2106.9A73 V77A73-R75 PolarHBondContact O-N 3.39Å; A73-R75 VanDerWaalsContact O-N 3.14Å; R75-V77 PolarHBondContact O-N 3.39Å
76S69.2Low63.4Low40 Ų4059.5 Ų59.528%0.2833%0.33SS..  trans-60.1126.9174-168.50000106.9K74 T78 Y79K74-S76 PolarHBondContact O-N 3.44Å; S76-T78 PolarHBondContact O-N 3.46Å; S76-T78 VanDerWaalsContact O-N 3.1Å; S76-T78 PolarHBondContact OG-OG1 3.38Å; S76-Y79 WeakPolarHBondContact O-CB 3.17Å; S76-Y79 WeakPolarHBondContact O-CD2 3.45Å; S76-Y79 PolarHBondContact O-N 3.09Å
77V83.4Confident66.4Low15 Ų1559 Ų599%0.09132%0.319CS..THydrogen-bonded Turntrans-49.7-36.4176163.60000111.2R75 Y79 I80 F81 L156 A161R75-V77 PolarHBondContact O-N 3.39Å; V77-Y79 PolarHBondContact O-N 3.5Å; V77-I80 WeakPolarHBondContact O-CB 3.5Å; V77-I80 PolarHBondContact O-N 3.26Å; V77-F81 HydrophobicContact CG1-CD2 4.29Å; V77-F81 HydrophobicContact CG1-CE2 3.55Å; V77-F81 HydrophobicContact CG1-CZ 3.76Å; V77-L156 HydrophobicContact CB-CD2 4.11Å; V77-L156 HydrophobicContact CB-CG 4.13Å; V77-L156 HydrophobicContact CG1-CD1 4.15Å; V77-L156 HydrophobicContact CG1-CD2 3.68Å; V77-L156 HydrophobicContact CG1-CG 3.69Å; V77-L156 HydrophobicContact CG2-CG 4.18Å; V77-L156 WeakPolarHBondContact CG2-O 3.49Å; V77-A161 HydrophobicContact CB-CB 4.45Å; V77-A161 HydrophobicContact CG1-CB 3.38Å; V77-A161 HydrophobicContact CG2-CB 4.41Å
78T85Confident69.4Low8 Ų851 Ų515%0.04928%0.28CS..Hα-helixtrans-39.7-43.2168.8-270000114.1S76 I80 F81 L82 D141 R142S76-T78 PolarHBondContact O-N 3.46Å; S76-T78 VanDerWaalsContact O-N 3.1Å; S76-T78 PolarHBondContact OG-OG1 3.38Å; T78-I80 PolarHBondContact O-N 3.25Å; T78-F81 PolarHBondContact O-N 3.14Å; T78-F81 VanDerWaalsContact O-N 3.12Å; T78-L82 WeakPolarHBondContact O-CG 3.42Å; T78-L82 PolarHBondContact O-N 3.3Å; T78-D141 PolarHBondContact OG1-OD2 2.97Å; T78-R142 PolarHBondContact OG1-NH2 3.44Å
79Y85.8Confident72.4Confident46 Ų4644.9 Ų44.918%0.1825%0.249CC..Hα-helixtrans-63-30.9-177.9-71.5-60.2000113.1L36 K39 S76 V77 F81 L82 V83L36-Y79 HydrophobicContact CD2-CD1 3.36Å; L36-Y79 HydrophobicContact CD2-CE1 3.65Å; L36-Y79 HydrophobicContact CD2-CG 4.45Å; K39-Y79 HydrophobicContact CD-CE2 4.28Å; K39-Y79 PolarHBondContact NZ-OH 3.32Å; S76-Y79 WeakPolarHBondContact O-CB 3.17Å; S76-Y79 WeakPolarHBondContact O-CD2 3.45Å; S76-Y79 PolarHBondContact O-N 3.09Å; V77-Y79 PolarHBondContact O-N 3.5Å; Y79-F81 VanDerWaalsContact C-N 3.35Å; Y79-L82 HydrophobicContact CD1-CD1 4.3Å; Y79-L82 PolarHBondContact O-N 2.99Å; Y79-V83 VanDerWaalsContact O-CG2 3.3Å; Y79-V83 WeakPolarHBondContact O-CG2 3.28Å; Y79-V83 PolarHBondContact O-N 3.2Å
80I90.8Very high75.6Confident13 Ų1343.9 Ų43.97%0.06723%0.232CC..Hα-helixtrans-67.3-41.7177.1-61.8170.4000109.4V77 T78 V83 N84 V158 A161 L165V77-I80 WeakPolarHBondContact O-CB 3.5Å; V77-I80 PolarHBondContact O-N 3.26Å; T78-I80 PolarHBondContact O-N 3.25Å; I80-V83 PolarHBondContact O-N 3.39Å; I80-N84 PolarHBondContact O-N 3.49Å; I80-V158 HydrophobicContact CD1-CB 4.2Å; I80-V158 HydrophobicContact CD1-CG1 3.75Å; I80-V158 HydrophobicContact CD1-CG2 4.16Å; I80-A161 HydrophobicContact CD1-CB 4.15Å; I80-L165 HydrophobicContact CG2-CD1 3.57Å
81F94Very high78.6Confident1 Ų140.7 Ų40.70%0.00422%0.216CC..Hα-helixtrans-67.5-38.6175.7-54.7-43000112.6V77 T78 Y79 V83 N84 L85 I137 I138 D141 A161 L165V77-F81 HydrophobicContact CG1-CD2 4.29Å; V77-F81 HydrophobicContact CG1-CE2 3.55Å; V77-F81 HydrophobicContact CG1-CZ 3.76Å; T78-F81 PolarHBondContact O-N 3.14Å; T78-F81 VanDerWaalsContact O-N 3.12Å; Y79-F81 VanDerWaalsContact C-N 3.35Å; F81-V83 VanDerWaalsContact C-N 3.35Å; F81-V83 PolarHBondContact O-N 3.39Å; F81-N84 WeakPolarHBondContact O-CB 3.38Å; F81-N84 PolarHBondContact O-N 3.21Å; F81-L85 PolarHBondContact O-N 3.24Å; F81-I137 HydrophobicContact CD1-CG2 3.97Å; F81-I137 HydrophobicContact CD2-CG2 4.04Å; F81-I137 HydrophobicContact CE1-CG2 3.56Å; F81-I137 HydrophobicContact CE2-CG2 3.62Å; F81-I137 HydrophobicContact CG-CG2 4.21Å; F81-I137 HydrophobicContact CZ-CG2 3.37Å; F81-I138 HydrophobicContact CB-CD1 4.16Å; F81-I138 HydrophobicContact CB-CG1 3.64Å; F81-I138 HydrophobicContact CG-CG1 4.4Å; F81-D141 HydrophobicContact CD2-CB 4.34Å; F81-D141 HydrophobicContact CE2-CB 3.99Å; F81-A161 HydrophobicContact CE1-CB 4.15Å; F81-A161 HydrophobicContact CZ-CB 4.02Å; F81-L165 HydrophobicContact CD1-CD1 4.3Å; F81-L165 HydrophobicContact CD1-CD2 3.85Å; F81-L165 HydrophobicContact CD1-CG 4.03Å; F81-L165 HydrophobicContact CE1-CD2 4.25Å; F81-L165 HydrophobicContact CE1-CG 4.14Å
82L91.7Very high81.7Confident10 Ų1035.9 Ų35.95%0.05219%0.186CC..Hα-helixtrans-65.6-36.7175.3-61.4178.4000112.5L36 T78 Y79 S86 I138 Y362L36-L82 HydrophobicContact CD1-CB 3.88Å; T78-L82 WeakPolarHBondContact O-CG 3.42Å; T78-L82 PolarHBondContact O-N 3.3Å; Y79-L82 HydrophobicContact CD1-CD1 4.3Å; Y79-L82 PolarHBondContact O-N 2.99Å; L82-S86 PolarHBondContact O-N 3.23Å; L82-S86 VanDerWaalsContact O-N 3.1Å; L82-S86 PolarHBondContact O-OG 3.28Å; L82-I138 HydrophobicContact CD2-CD1 4.32Å; L82-Y362 WeakPolarHBondContact CD2-OH 3.45Å
83V93.1Very high84.8Confident36 Ų3633 Ų3322%0.21817%0.171CC..Hα-helixtrans-63.5-46.3172165.30000110.5L33 L36 Y79 I80 F81 L85 S86 L87L33-V83 HydrophobicContact CD2-CB 4.23Å; L33-V83 HydrophobicContact CD2-CG1 3.74Å; L33-V83 HydrophobicContact CD2-CG2 4.24Å; L36-V83 HydrophobicContact CB-CG2 4.04Å; L36-V83 HydrophobicContact CD1-CG2 3.69Å; Y79-V83 VanDerWaalsContact O-CG2 3.3Å; Y79-V83 WeakPolarHBondContact O-CG2 3.28Å; Y79-V83 PolarHBondContact O-N 3.2Å; I80-V83 PolarHBondContact O-N 3.39Å; F81-V83 VanDerWaalsContact C-N 3.35Å; F81-V83 PolarHBondContact O-N 3.39Å; V83-L85 VanDerWaalsContact C-N 3.32Å; V83-L85 PolarHBondContact O-N 2.95Å; V83-S86 PolarHBondContact O-N 3.24Å; V83-L87 HydrophobicContact CG1-CD1 3.99Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 WeakPolarHBondContact O-CG 3.24Å; V83-L87 PolarHBondContact O-N 3.49Å
84N96Very high87.6Confident9 Ų933.8 Ų33.85%0.04817%0.165CC..Hα-helixtrans-57.3-47.2177.1-168.672.7000111.4I80 F81 S86 L87 S88 T134 L165 W169I80-N84 PolarHBondContact O-N 3.49Å; F81-N84 WeakPolarHBondContact O-CB 3.38Å; F81-N84 PolarHBondContact O-N 3.21Å; N84-S86 VanDerWaalsContact C-N 3.32Å; N84-S86 PolarHBondContact O-N 2.85Å; N84-L87 PolarHBondContact O-N 3.15Å; N84-L87 VanDerWaalsContact O-N 3.12Å; N84-S88 PolarHBondContact O-N 3.24Å; N84-S88 PolarHBondContact O-OG 2.97Å; N84-S88 VanDerWaalsContact O-OG 3.07Å; N84-T134 PolarHBondContact ND2-OG1 3.45Å; N84-L165 HydrophobicContact CB-CD1 3.75Å; N84-L165 HydrophobicContact CB-CD2 3.84Å; N84-L165 HydrophobicContact CB-CG 4.46Å; N84-W169 PolarHBondContact OD1-NE1 2.84Å
85L95.3Very high90.2Very high0 Ų028.4 Ų28.40%014%0.144CC..Hα-helixtrans-57.5-44.6178.2-169.464.1000111.9F81 V83 L87 S88 D89 T134 I138 V310 N358F81-L85 PolarHBondContact O-N 3.24Å; V83-L85 VanDerWaalsContact C-N 3.32Å; V83-L85 PolarHBondContact O-N 2.95Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.29Å; L85-S88 PolarHBondContact O-N 3.48Å; L85-D89 VanDerWaalsContact O-CG 3.29Å; L85-D89 PolarHBondContact O-N 3.06Å; L85-T134 HydrophobicContact CB-CG2 4.11Å; L85-T134 HydrophobicContact CD1-CG2 4.25Å; L85-I138 HydrophobicContact CD2-CD1 4.25Å; L85-V310 HydrophobicContact CD2-CG1 4.21Å; L85-N358 WeakPolarHBondContact CD2-ND2 3.2Å; L85-N358 WeakPolarHBondContact CG-ND2 3.39Å
86S96.1Very high92.2Very high0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-66-34.6178.2-490000112.5V32 L82 V83 N84 L90V32-S86 VanDerWaalsContact CG1-OG 3.29Å; V32-S86 WeakPolarHBondContact CG1-OG 3.42Å; L82-S86 PolarHBondContact O-N 3.23Å; L82-S86 VanDerWaalsContact O-N 3.1Å; L82-S86 PolarHBondContact O-OG 3.28Å; V83-S86 PolarHBondContact O-N 3.24Å; N84-S86 VanDerWaalsContact C-N 3.32Å; N84-S86 PolarHBondContact O-N 2.85Å; S86-L90 VanDerWaalsContact O-CG 3.28Å; S86-L90 WeakPolarHBondContact O-CG 3.39Å; S86-L90 PolarHBondContact O-N 3.48Å; S86-L90 VanDerWaalsContact O-N 3.15Å
87L96.4Very high93.3Very high82 Ų8221.8 Ų21.843%0.42911%0.113SC..Hα-helixtrans-70.3-40.8175.9-70.7171000111.8L33 V83 N84 L85 L90 L91L33-L87 HydrophobicContact CD1-CD2 3.88Å; L33-L87 HydrophobicContact CD2-CD2 4.37Å; L33-L87 HydrophobicContact CD2-CG 4.23Å; V83-L87 HydrophobicContact CG1-CD1 3.99Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 WeakPolarHBondContact O-CG 3.24Å; V83-L87 PolarHBondContact O-N 3.49Å; N84-L87 PolarHBondContact O-N 3.15Å; N84-L87 VanDerWaalsContact O-N 3.12Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.29Å; L87-L90 PolarHBondContact O-N 2.78Å; L87-L91 WeakPolarHBondContact O-CB 3.21Å; L87-L91 PolarHBondContact O-N 2.97Å
88S96.7Very high93.8Very high0 Ų023.3 Ų23.30%012%0.123CC..Hα-helixtrans-65.1-41.1176.1-57.20000112N84 L85 L91 H92 V127 I130N84-S88 PolarHBondContact O-N 3.24Å; N84-S88 PolarHBondContact O-OG 2.97Å; N84-S88 VanDerWaalsContact O-OG 3.07Å; L85-S88 PolarHBondContact O-N 3.48Å; S88-L91 PolarHBondContact O-N 3.42Å; S88-H92 PolarHBondContact O-N 2.88Å; S88-V127 WeakPolarHBondContact O-CG1 3.39Å; S88-I130 WeakPolarHBondContact OG-CG2 3.32Å
89D96.8Very high94.2Very high7 Ų725.6 Ų25.64%0.03713%0.132CC..Hα-helixtrans-61.5-43.3174.6-73.7-20.7000112.1L85 H92 I93 T355 N358L85-D89 VanDerWaalsContact O-CG 3.29Å; L85-D89 PolarHBondContact O-N 3.06Å; D89-H92 WeakPolarHBondContact O-CB 3.48Å; D89-H92 PolarHBondContact O-N 3.43Å; D89-I93 WeakPolarHBondContact O-CG2 3.43Å; D89-I93 PolarHBondContact O-N 2.92Å; D89-T355 HydrophobicContact CB-CG2 4.06Å; D89-N358 PolarHBondContact OD2-ND2 2.98Å
90L97.2Very high94.5Very high23 Ų2323.6 Ų23.612%0.1213%0.125CC..Hα-helixtrans-62.2-42.6174.5-73.8171.5000111.6T26 N29 L33 S86 L87 H92 I93 L94T26-L90 HydrophobicContact CG2-CD2 4.23Å; N29-L90 HydrophobicContact CB-CD1 4.28Å; N29-L90 HydrophobicContact CB-CD2 3.97Å; N29-L90 HydrophobicContact CB-CG 3.83Å; L33-L90 HydrophobicContact CD1-CD1 3.67Å; S86-L90 VanDerWaalsContact O-CG 3.28Å; S86-L90 WeakPolarHBondContact O-CG 3.39Å; S86-L90 PolarHBondContact O-N 3.48Å; S86-L90 VanDerWaalsContact O-N 3.15Å; L87-L90 PolarHBondContact O-N 2.78Å; L90-H92 VanDerWaalsContact C-N 3.32Å; L90-H92 PolarHBondContact O-N 3Å; L90-I93 PolarHBondContact O-N 3.08Å; L90-L94 HydrophobicContact CB-CD1 4.4Å; L90-L94 HydrophobicContact CD2-CD1 4.29Å; L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 WeakPolarHBondContact O-CG 3.43Å; L90-L94 PolarHBondContact O-N 3.36Å
91L95.5Very high94.7Very high42 Ų4223.7 Ų23.722%0.2213%0.126CC..Hα-helixtrans-61.8-40.3176.3-17758.8000111.4L87 S88 I95 V127 W169L87-L91 WeakPolarHBondContact O-CB 3.21Å; L87-L91 PolarHBondContact O-N 2.97Å; S88-L91 PolarHBondContact O-N 3.42Å; L91-I95 HydrophobicContact CD1-CB 4.22Å; L91-I95 HydrophobicContact CD1-CG1 3.68Å; L91-I95 WeakPolarHBondContact O-CB 3.28Å; L91-I95 PolarHBondContact O-N 3.26Å; L91-V127 HydrophobicContact CB-CG2 4.15Å; L91-V127 HydrophobicContact CD2-CG2 3.57Å; L91-V127 HydrophobicContact CG-CG2 3.54Å; L91-W169 HydrophobicContact CD2-CH2 3.94Å; L91-W169 HydrophobicContact CD2-CZ3 4.28Å
92H95.1Very high94.6Very high13 Ų1325.6 Ų25.66%0.0614%0.137CC..Iπ-helixtrans-60.6-54.9175.8-154.6156.2000111.4S88 D89 L90 C96 A97 V127 W352 T355S88-H92 PolarHBondContact O-N 2.88Å; D89-H92 WeakPolarHBondContact O-CB 3.48Å; D89-H92 PolarHBondContact O-N 3.43Å; L90-H92 VanDerWaalsContact C-N 3.32Å; L90-H92 PolarHBondContact O-N 3Å; H92-C96 WeakPolarHBondContact O-CB 3.49Å; H92-C96 PolarHBondContact O-N 2.92Å; H92-A97 PolarHBondContact O-N 3.38Å; H92-A97 VanDerWaalsContact O-N 3.11Å; H92-V127 HydrophobicContact CB-CG1 3.55Å; H92-W352 AromaticContact CD2-CD1 3.8Å; H92-W352 AromaticContact CD2-NE1 4Å; H92-W352 AromaticContact NE2-CD1 3.43Å; H92-W352 AromaticContact NE2-NE1 3.59Å; H92-T355 HydrophobicContact CB-CG2 4.17Å
93I96Very high94.7Very high0 Ų025.3 Ų25.30%014%0.136CC..Iπ-helixtrans-80.5-27.4-167-159.863.6000113.2V22 T26 D89 L90 A97 P98 W352V22-I93 HydrophobicContact CB-CG1 4.26Å; V22-I93 HydrophobicContact CG2-CD1 4.14Å; V22-I93 HydrophobicContact CG2-CG1 3.95Å; T26-I93 HydrophobicContact CG2-CG2 4.07Å; D89-I93 WeakPolarHBondContact O-CG2 3.43Å; D89-I93 PolarHBondContact O-N 2.92Å; L90-I93 PolarHBondContact O-N 3.08Å; I93-A97 HydrophobicContact CD1-CB 3.95Å; I93-P98 WeakPolarHBondContact O-CD 3.46Å; I93-W352 HydrophobicContact CD1-CB 4.07Å; I93-W352 HydrophobicContact CD1-CG 4.45Å
94L95.3Very high94.4Very high87 Ų8726.1 Ų26.146%0.45514%0.139SC..Iπ-helixtrans-89.2-33.4-179.5-69.6175.6000113V22 T26 L90V22-L94 HydrophobicContact CG1-CD2 4.34Å; T26-L94 HydrophobicContact CG2-CD1 4.31Å; T26-L94 HydrophobicContact CG2-CD2 3.37Å; T26-L94 HydrophobicContact CG2-CG 3.85Å; L90-L94 HydrophobicContact CB-CD1 4.4Å; L90-L94 HydrophobicContact CD2-CD1 4.29Å; L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 WeakPolarHBondContact O-CG 3.43Å; L90-L94 PolarHBondContact O-N 3.36Å
95I92.6Very high94.1Very high65 Ų6525.7 Ų25.733%0.33314%0.137SC..Iπ-helixtrans-101.2-57.7-177-53.6-56.3000110.2L91 F99 L123L91-I95 HydrophobicContact CD1-CB 4.22Å; L91-I95 HydrophobicContact CD1-CG1 3.68Å; L91-I95 WeakPolarHBondContact O-CB 3.28Å; L91-I95 PolarHBondContact O-N 3.26Å; I95-F99 WeakPolarHBondContact O-CD2 3.07Å; I95-L123 HydrophobicContact CG2-CD1 3.84Å
96C94.1Very high93.9Very high0 Ų028 Ų280%015%0.149CC..Iπ-helixtrans-74.3-48.4-170.2-55.90000112.5H92 T100 Q124H92-C96 WeakPolarHBondContact O-CB 3.49Å; H92-C96 PolarHBondContact O-N 2.92Å; C96-T100 PolarHBondContact O-N 3.41Å; C96-T100 PolarHBondContact O-OG1 3.41Å; C96-Q124 HydrophobicContact CB-CG 3.65Å
97A93.2Very high93.7Very high0 Ų031.1 Ų31.10%017%0.165CC..Hα-helixtrans-61.1-42.5-171.400000114.9H92 I93 T100 L101 W352H92-A97 PolarHBondContact O-N 3.38Å; H92-A97 VanDerWaalsContact O-N 3.11Å; I93-A97 HydrophobicContact CD1-CB 3.95Å; A97-T100 PolarHBondContact O-N 3.41Å; A97-L101 VanDerWaalsContact O-CB 3.26Å; A97-L101 WeakPolarHBondContact O-CB 3.44Å; A97-L101 PolarHBondContact O-N 2.88Å; A97-W352 HydrophobicContact CB-CD2 3.78Å; A97-W352 HydrophobicContact CB-CE3 4.29Å; A97-W352 HydrophobicContact CB-CG 4.12Å; A97-W352 HydrophobicContact CB-CH2 4.47Å; A97-W352 HydrophobicContact CB-CZ2 4Å
98P92.7Very high93.3Very high47 Ų4728.7 Ų28.731%0.30515%0.152SC..Hα-helixtrans-66-43.4-177.8-23.936.4000113.4I93 L101 V102I93-P98 WeakPolarHBondContact O-CD 3.46Å; P98-L101 PolarHBondContact O-N 3.03Å; P98-V102 VanDerWaalsContact O-CG2 3.29Å; P98-V102 WeakPolarHBondContact O-CG2 3.38Å; P98-V102 PolarHBondContact O-N 3.33Å
99F93.6Very high93.1Very high56 Ų5632.3 Ų32.325%0.24617%0.167CC..Hα-helixtrans-64.3-43.9178.3-69.5-71.9000111.1I95 V102 A103 W110 F112 L116 V120I95-F99 WeakPolarHBondContact O-CD2 3.07Å; F99-V102 PolarHBondContact O-N 2.99Å; F99-A103 WeakPolarHBondContact O-CB 3.45Å; F99-A103 PolarHBondContact O-N 3.35Å; F99-W110 HydrophobicContact CB-CH2 4.42Å; F99-F112 HydrophobicContact CB-CE2 4.29Å; F99-F112 AromaticContact CD1-CD1 3.85Å; F99-F112 HydrophobicContact CD1-CD1 3.85Å; F99-F112 AromaticContact CD1-CD2 3.88Å; F99-F112 HydrophobicContact CD1-CD2 3.88Å; F99-F112 AromaticContact CD1-CE1 3.8Å; F99-F112 HydrophobicContact CD1-CE1 3.8Å; F99-F112 AromaticContact CD1-CE2 3.82Å; F99-F112 HydrophobicContact CD1-CE2 3.82Å; F99-F112 AromaticContact CD1-CG 3.89Å; F99-F112 HydrophobicContact CD1-CG 3.89Å; F99-F112 AromaticContact CD1-CZ 3.77Å; F99-F112 HydrophobicContact CD1-CZ 3.77Å; F99-F112 AromaticContact CE1-CD1 3.99Å; F99-F112 HydrophobicContact CE1-CD1 3.99Å; F99-F112 HydrophobicContact CE1-CE1 4.06Å; F99-F112 HydrophobicContact CE1-CG 4.35Å; F99-F112 HydrophobicContact CE1-CZ 4.47Å; F99-L116 HydrophobicContact CE1-CD1 4.09Å; F99-L116 HydrophobicContact CZ-CD2 4.47Å; F99-V120 HydrophobicContact CB-CG1 4.12Å; F99-V120 HydrophobicContact CB-CG2 3.9Å; F99-V120 HydrophobicContact CD2-CG2 3.78Å; F99-V120 HydrophobicContact CG-CG2 3.88Å
100T92.9Very high92.9Very high5 Ų532.5 Ų32.53%0.03117%0.167CC..Hα-helixtrans-67.3-39.9178.2-53.50000112.3C96 A97 V102 A103 D104 Q124 W352C96-T100 PolarHBondContact O-N 3.41Å; C96-T100 PolarHBondContact O-OG1 3.41Å; A97-T100 PolarHBondContact O-N 3.41Å; T100-V102 VanDerWaalsContact C-N 3.34Å; T100-V102 PolarHBondContact O-N 3.4Å; T100-A103 PolarHBondContact O-N 3.37Å; T100-D104 WeakPolarHBondContact CG2-OD2 3.44Å; T100-D104 VanDerWaalsContact O-CB 3.3Å; T100-D104 WeakPolarHBondContact O-CB 3.12Å; T100-D104 PolarHBondContact O-N 2.82Å; T100-Q124 PolarHBondContact OG1-NE2 3.2Å; T100-W352 HydrophobicContact CG2-CH2 4.17Å; T100-W352 HydrophobicContact CG2-CZ2 3.87Å
101L93.4Very high92.8Very high15 Ų1534 Ų348%0.07918%0.178CC..Hα-helixtrans-56.5-51.3174.2168.667.9000111I14 V18 A97 P98 F105 L106 W352I14-L101 HydrophobicContact CG2-CD1 3.58Å; V18-L101 HydrophobicContact CB-CD1 4.28Å; V18-L101 HydrophobicContact CB-CD2 3.89Å; V18-L101 HydrophobicContact CG1-CB 4.44Å; V18-L101 HydrophobicContact CG1-CD2 3.78Å; V18-L101 HydrophobicContact CG1-CG 4.48Å; V18-L101 HydrophobicContact CG2-CD1 3.97Å; V18-L101 HydrophobicContact CG2-CD2 4.47Å; A97-L101 VanDerWaalsContact O-CB 3.26Å; A97-L101 WeakPolarHBondContact O-CB 3.44Å; A97-L101 PolarHBondContact O-N 2.88Å; P98-L101 PolarHBondContact O-N 3.03Å; L101-F105 HydrophobicContact CD1-CB 4.27Å; L101-F105 HydrophobicContact CD1-CD2 4.27Å; L101-F105 PolarHBondContact O-N 3.33Å; L101-F105 VanDerWaalsContact O-N 3.12Å; L101-L106 HydrophobicContact CD1-CD2 4.36Å; L101-L106 HydrophobicContact CD1-CG 4.24Å; L101-L106 HydrophobicContact CD2-CD1 4.3Å; L101-L106 HydrophobicContact CG-CD1 4.09Å; L101-L106 HydrophobicContact CG-CG 4.14Å; L101-L106 PolarHBondContact O-N 3.44Å; L101-L106 VanDerWaalsContact O-N 3.15Å; L101-W352 HydrophobicContact CB-CH2 4.42Å
102V93.6Very high92.7Very high40 Ų4034.9 Ų34.924%0.24218%0.18CC..Iπ-helixtrans-64.7-46.8-176.4173.50000110.5P98 F99 T100 L106 L107 F112P98-V102 VanDerWaalsContact O-CG2 3.29Å; P98-V102 WeakPolarHBondContact O-CG2 3.38Å; P98-V102 PolarHBondContact O-N 3.33Å; F99-V102 PolarHBondContact O-N 2.99Å; T100-V102 VanDerWaalsContact C-N 3.34Å; T100-V102 PolarHBondContact O-N 3.4Å; V102-L106 HydrophobicContact CG2-CD1 4.12Å; V102-L106 PolarHBondContact O-N 2.79Å; V102-L107 HydrophobicContact CG1-CD1 3.57Å; V102-L107 HydrophobicContact CG1-CG 3.99Å; V102-L107 WeakPolarHBondContact O-CB 3.44Å; V102-L107 PolarHBondContact O-N 3.2Å; V102-F112 HydrophobicContact CB-CE2 4.15Å; V102-F112 HydrophobicContact CB-CZ 3.79Å; V102-F112 HydrophobicContact CG1-CE2 4.07Å; V102-F112 HydrophobicContact CG1-CZ 3.57Å; V102-F112 HydrophobicContact CG2-CZ 4.46Å
103A92.1Very high92.6Very high4 Ų435.8 Ų35.83%0.03319%0.193CC..Iπ-helixtrans-69.4-50.5-177.300000113F99 T100 I108 Y109 W110 F112F99-A103 WeakPolarHBondContact O-CB 3.45Å; F99-A103 PolarHBondContact O-N 3.35Å; T100-A103 PolarHBondContact O-N 3.37Å; A103-I108 CarbonylContact O-C 3.53Å; A103-I108 WeakPolarHBondContact O-CA 3.31Å; A103-I108 PolarHBondContact O-N 3.46Å; A103-Y109 WeakPolarHBondContact CA-O 3.41Å; A103-Y109 PolarHBondContact O-N 2.96Å; A103-W110 HydrophobicContact CB-CD2 4.45Å; A103-W110 HydrophobicContact CB-CE3 3.5Å; A103-W110 VanDerWaalsContact CB-CE3 3.5Å; A103-W110 HydrophobicContact CB-CZ3 3.81Å; A103-F112 HydrophobicContact CB-CE2 4.37Å
104D88.5Confident92.3Very high54 Ų5437.5 Ų37.529%0.28921%0.211SC..Iπ-helixtrans-84.4-29.9-169-66.64.6000113.1T100 W344T100-D104 WeakPolarHBondContact CG2-OD2 3.44Å; T100-D104 VanDerWaalsContact O-CB 3.3Å; T100-D104 WeakPolarHBondContact O-CB 3.12Å; T100-D104 PolarHBondContact O-N 2.82Å; D104-W344 PolarHBondContact OD2-NE1 3.48Å
105F89.8Confident92.2Very high0 Ų039.6 Ų39.60%022%0.221CC..Iπ-helixtrans-121.6-32-169.4-55.1-64.1000114.7I6 R11 I14 L101 W344 L345 Q348 W352I6-F105 HydrophobicContact CD1-CB 4.5Å; I6-F105 HydrophobicContact CD1-CD1 4.02Å; R11-F105 WeakPolarHBondContact CG-O 3.31Å; I14-F105 HydrophobicContact CD1-CB 4.46Å; I14-F105 HydrophobicContact CG2-CB 4.12Å; I14-F105 HydrophobicContact CG2-CG 4.35Å; L101-F105 HydrophobicContact CD1-CB 4.27Å; L101-F105 HydrophobicContact CD1-CD2 4.27Å; L101-F105 PolarHBondContact O-N 3.33Å; L101-F105 VanDerWaalsContact O-N 3.12Å; F105-W344 AromaticContact CE1-CD1 3.83Å; F105-W344 AromaticContact CZ-CD1 3.53Å; F105-W344 HydrophobicContact CZ-CG 4.49Å; F105-L345 HydrophobicContact CD1-CB 4.25Å; F105-L345 HydrophobicContact CD1-CD1 3.91Å; F105-L345 HydrophobicContact CD2-CD1 4.17Å; F105-L345 HydrophobicContact CE1-CB 3.55Å; F105-L345 HydrophobicContact CE1-CD1 3.77Å; F105-L345 HydrophobicContact CE1-CG 4.24Å; F105-L345 HydrophobicContact CE2-CD1 4.04Å; F105-L345 HydrophobicContact CG-CD1 4.13Å; F105-L345 HydrophobicContact CZ-CB 3.96Å; F105-L345 HydrophobicContact CZ-CD1 3.84Å; F105-Q348 HydrophobicContact CE2-CB 4.32Å; F105-Q348 HydrophobicContact CE2-CG 4.31Å; F105-Q348 HydrophobicContact CZ-CB 4.35Å; F105-Q348 HydrophobicContact CZ-CG 4.12Å; F105-W352 HydrophobicContact CE2-CH2 4.29Å
106L91.4Very high92.3Very high47 Ų4739.1 Ų39.125%0.24622%0.219CC..Iπ-helixtrans-89.6-49.5-178.9-57.1-175.1000112.2R11 A15 L101 V102R11-L106 HydrophobicContact CB-CD2 4.18Å; R11-L106 WeakPolarHBondContact CD-O 3.09Å; R11-L106 PolarHBondContact NH1-O 3.45Å; A15-L106 HydrophobicContact CB-CD2 4.06Å; L101-L106 HydrophobicContact CD1-CD2 4.36Å; L101-L106 HydrophobicContact CD1-CG 4.24Å; L101-L106 HydrophobicContact CD2-CD1 4.3Å; L101-L106 HydrophobicContact CG-CD1 4.09Å; L101-L106 HydrophobicContact CG-CG 4.14Å; L101-L106 PolarHBondContact O-N 3.44Å; L101-L106 VanDerWaalsContact O-N 3.15Å; V102-L106 HydrophobicContact CG2-CD1 4.12Å; V102-L106 PolarHBondContact O-N 2.79Å
107L90.7Very high92.3Very high66 Ų6639.1 Ų39.135%0.34622%0.219SC..Iπ-helixtrans-99.1-30.5-176-66.2-179.1000112.8V102 Y109 P111V102-L107 HydrophobicContact CG1-CD1 3.57Å; V102-L107 HydrophobicContact CG1-CG 3.99Å; V102-L107 WeakPolarHBondContact O-CB 3.44Å; V102-L107 PolarHBondContact O-N 3.2Å; L107-Y109 HydrophobicContact CB-CD1 3.7Å; L107-Y109 HydrophobicContact CB-CE1 3.59Å; L107-Y109 HydrophobicContact CB-CG 4.4Å; L107-Y109 HydrophobicContact CD1-CE1 4.13Å; L107-Y109 HydrophobicContact CD2-CE1 4.05Å; L107-Y109 HydrophobicContact CG-CE1 4.12Å; L107-Y109 VanDerWaalsContact O-CD1 3.3Å; L107-Y109 WeakPolarHBondContact O-CD1 3.33Å; L107-Y109 PolarHBondContact O-N 3.11Å; L107-P111 HydrophobicContact CD1-CB 4.21Å; L107-P111 HydrophobicContact CD1-CG 3.71Å
108I88.8Confident92.4Very high31 Ų3143.4 Ų43.416%0.15924%0.235CC..SBendtrans59.330.1-173.9-40.4-179.5000111.1A103 H194A103-I108 CarbonylContact O-C 3.53Å; A103-I108 WeakPolarHBondContact O-CA 3.31Å; A103-I108 PolarHBondContact O-N 3.46Å; I108-H194 PolarHBondContact O-CE1 3.23Å; I108-H194 VanDerWaalsContact O-CE1 3.27Å
109Y91.2Very high92.5Very high77 Ų7744.6 Ų44.630%0.30224%0.238SC..SBendtrans-156.8163.7169.273.3-91.3000108.4A103 L107 P111 L192 T193A103-Y109 WeakPolarHBondContact CA-O 3.41Å; A103-Y109 PolarHBondContact O-N 2.96Å; L107-Y109 HydrophobicContact CB-CD1 3.7Å; L107-Y109 HydrophobicContact CB-CE1 3.59Å; L107-Y109 HydrophobicContact CB-CG 4.4Å; L107-Y109 HydrophobicContact CD1-CE1 4.13Å; L107-Y109 HydrophobicContact CD2-CE1 4.05Å; L107-Y109 HydrophobicContact CG-CE1 4.12Å; L107-Y109 VanDerWaalsContact O-CD1 3.3Å; L107-Y109 WeakPolarHBondContact O-CD1 3.33Å; L107-Y109 PolarHBondContact O-N 3.11Å; Y109-P111 HydrophobicContact CD2-CB 4.35Å; Y109-P111 HydrophobicContact CE2-CB 3.67Å; Y109-P111 HydrophobicContact CE2-CG 4.48Å; Y109-P111 WeakPolarHBondContact O-CD 3.2Å; Y109-L192 HydrophobicContact CD1-CD2 4.16Å; Y109-L192 HydrophobicContact CG-CD2 4.13Å; Y109-T193 CarbonylContact C-O 3.58Å; Y109-T193 WeakPolarHBondContact CA-O 3.24Å; Y109-T193 WeakPolarHBondContact CB-O 3.47Å
110W93.5Very high92.5Very high11 Ų1142 Ų424%0.04223%0.228CC..  trans-96.398.7-178.3-173.4-90.3000111.7F99 A103 F112 G113 L116 C117 V120 T193 C195F99-W110 HydrophobicContact CB-CH2 4.42Å; A103-W110 HydrophobicContact CB-CD2 4.45Å; A103-W110 HydrophobicContact CB-CE3 3.5Å; A103-W110 VanDerWaalsContact CB-CE3 3.5Å; A103-W110 HydrophobicContact CB-CZ3 3.81Å; W110-F112 HydrophobicContact CD2-CD2 4.21Å; W110-F112 AromaticContact CE2-CD2 3.94Å; W110-F112 HydrophobicContact CE3-CD2 4.43Å; W110-F112 HydrophobicContact CH2-CD2 4.1Å; W110-F112 HydrophobicContact CZ2-CB 3.84Å; W110-F112 AromaticContact CZ2-CD2 3.85Å; W110-F112 HydrophobicContact CZ2-CD2 3.85Å; W110-F112 HydrophobicContact CZ2-CG 4.31Å; W110-F112 HydrophobicContact CZ3-CD2 4.39Å; W110-G113 PolarHBondContact NE1-O 3.02Å; W110-L116 HydrophobicContact CZ2-CB 3.95Å; W110-L116 WeakPolarHBondContact CZ2-O 3.27Å; W110-C117 HydrophobicContact CD2-CB 4.4Å; W110-C117 VanDerWaalsContact CZ2-CA 3.4Å; W110-C117 HydrophobicContact CZ2-CB 4.18Å; W110-C117 VanDerWaalsContact CZ2-N 3.27Å; W110-V120 HydrophobicContact CH2-CB 3.9Å; W110-V120 HydrophobicContact CH2-CG1 4.16Å; W110-V120 HydrophobicContact CH2-CG2 4Å; W110-V120 HydrophobicContact CZ2-CG2 4.43Å; W110-T193 PolarHBondContact N-O 3.42Å; W110-T193 PolarHBondContact O-OG1 3.21Å; W110-C195 HydrophobicContact CB-CB 4.21Å; W110-C195 HydrophobicContact CD2-CB 3.69Å; W110-C195 HydrophobicContact CE3-CB 3.77Å; W110-C195 HydrophobicContact CG-CB 3.85Å; W110-C195 HydrophobicContact CZ3-CB 4.48Å
111P94.1Very high92.5Very high55 Ų5543.7 Ų43.736%0.35724%0.236SC..  trans-83.9-7.6-178.135.9-41.6000114.3L107 Y109 G113L107-P111 HydrophobicContact CD1-CB 4.21Å; L107-P111 HydrophobicContact CD1-CG 3.71Å; Y109-P111 HydrophobicContact CD2-CB 4.35Å; Y109-P111 HydrophobicContact CE2-CB 3.67Å; Y109-P111 HydrophobicContact CE2-CG 4.48Å; Y109-P111 WeakPolarHBondContact O-CD 3.2Å; P111-G113 PolarHBondContact O-N 3.49Å
112F94.6Very high92.6Very high59 Ų5944.7 Ų44.726%0.25924%0.239SC..SBendtrans-925.5-161.7-55.6-67.9000115F99 V102 A103 W110 L116F99-F112 HydrophobicContact CB-CE2 4.29Å; F99-F112 AromaticContact CD1-CD1 3.85Å; F99-F112 HydrophobicContact CD1-CD1 3.85Å; F99-F112 AromaticContact CD1-CD2 3.88Å; F99-F112 HydrophobicContact CD1-CD2 3.88Å; F99-F112 AromaticContact CD1-CE1 3.8Å; F99-F112 HydrophobicContact CD1-CE1 3.8Å; F99-F112 AromaticContact CD1-CE2 3.82Å; F99-F112 HydrophobicContact CD1-CE2 3.82Å; F99-F112 AromaticContact CD1-CG 3.89Å; F99-F112 HydrophobicContact CD1-CG 3.89Å; F99-F112 AromaticContact CD1-CZ 3.77Å; F99-F112 HydrophobicContact CD1-CZ 3.77Å; F99-F112 AromaticContact CE1-CD1 3.99Å; F99-F112 HydrophobicContact CE1-CD1 3.99Å; F99-F112 HydrophobicContact CE1-CE1 4.06Å; F99-F112 HydrophobicContact CE1-CG 4.35Å; F99-F112 HydrophobicContact CE1-CZ 4.47Å; V102-F112 HydrophobicContact CB-CE2 4.15Å; V102-F112 HydrophobicContact CB-CZ 3.79Å; V102-F112 HydrophobicContact CG1-CE2 4.07Å; V102-F112 HydrophobicContact CG1-CZ 3.57Å; V102-F112 HydrophobicContact CG2-CZ 4.46Å; A103-F112 HydrophobicContact CB-CE2 4.37Å; W110-F112 HydrophobicContact CD2-CD2 4.21Å; W110-F112 AromaticContact CE2-CD2 3.94Å; W110-F112 HydrophobicContact CE3-CD2 4.43Å; W110-F112 HydrophobicContact CH2-CD2 4.1Å; W110-F112 HydrophobicContact CZ2-CB 3.84Å; W110-F112 AromaticContact CZ2-CD2 3.85Å; W110-F112 HydrophobicContact CZ2-CD2 3.85Å; W110-F112 HydrophobicContact CZ2-CG 4.31Å; W110-F112 HydrophobicContact CZ3-CD2 4.39Å; F112-L116 HydrophobicContact CB-CB 3.78Å; F112-L116 HydrophobicContact CB-CD1 3.72Å; F112-L116 HydrophobicContact CB-CG 4.38Å; F112-L116 HydrophobicContact CG-CD1 4.46Å
113G92.6Very high92.7Very high33 Ų3345 Ų4534%0.3424%0.239SC..Hα-helixtrans73.9171.2-178.700000114.5W110 P111 I115 L116 C117W110-G113 PolarHBondContact NE1-O 3.02Å; P111-G113 PolarHBondContact O-N 3.49Å; G113-I115 PolarHBondContact O-N 3.43Å; G113-L116 PolarHBondContact O-N 3.49Å; G113-C117 PolarHBondContact O-N 2.82Å
114G90.4Very high92.8Very high35 Ų3546.4 Ų46.436%0.36125%0.245SC..Hα-helixtrans-68.4-33.2-167.900000114.2C117 R118 I185G114-C117 WeakPolarHBondContact O-CB 3.38Å; G114-C117 PolarHBondContact O-N 2.89Å; G114-R118 PolarHBondContact O-N 3.24Å; G114-I185 VanDerWaalsContact N-CD1 3.29Å
115I93.4Very high93Very high131 Ų13144.4 Ų44.467%0.67224%0.238SC*.Hα-helixtrans-63.1-50178.7-63.4170.8000110.4G113 C117 R118 L119G113-I115 PolarHBondContact O-N 3.43Å; I115-C117 VanDerWaalsContact C-N 3.32Å; I115-C117 PolarHBondContact O-N 2.87Å; I115-R118 PolarHBondContact O-N 2.68Å; I115-L119 HydrophobicContact CG2-CD1 3.67Å; I115-L119 HydrophobicContact CG2-CG 4.29Å; I115-L119 WeakPolarHBondContact O-CB 3.26Å; I115-L119 WeakPolarHBondContact O-CG 3.31Å; I115-L119 PolarHBondContact O-N 2.96Å
116L94Very high93.3Very high55 Ų5544.6 Ų44.629%0.28824%0.238SC..Hα-helixtrans-69.3-31.5179.7-74.5171.1000111.9F99 W110 F112 G113 R118 L119 V120F99-L116 HydrophobicContact CE1-CD1 4.09Å; F99-L116 HydrophobicContact CZ-CD2 4.47Å; W110-L116 HydrophobicContact CZ2-CB 3.95Å; W110-L116 WeakPolarHBondContact CZ2-O 3.27Å; F112-L116 HydrophobicContact CB-CB 3.78Å; F112-L116 HydrophobicContact CB-CD1 3.72Å; F112-L116 HydrophobicContact CB-CG 4.38Å; F112-L116 HydrophobicContact CG-CD1 4.46Å; G113-L116 PolarHBondContact O-N 3.49Å; L116-R118 VanDerWaalsContact C-N 3.3Å; L116-R118 PolarHBondContact O-N 3.29Å; L116-L119 PolarHBondContact O-N 3.21Å; L116-V120 VanDerWaalsContact O-CB 3.3Å; L116-V120 WeakPolarHBondContact O-CB 3.21Å; L116-V120 VanDerWaalsContact O-CG2 3.27Å; L116-V120 WeakPolarHBondContact O-CG2 3.38Å; L116-V120 PolarHBondContact O-N 2.85Å
117C94.7Very high93.6Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-55.4-47.8173.21650000111.1W110 G113 G114 I115 N121 Q184 I185 C195W110-C117 HydrophobicContact CD2-CB 4.4Å; W110-C117 VanDerWaalsContact CZ2-CA 3.4Å; W110-C117 HydrophobicContact CZ2-CB 4.18Å; W110-C117 VanDerWaalsContact CZ2-N 3.27Å; G113-C117 PolarHBondContact O-N 2.82Å; G114-C117 WeakPolarHBondContact O-CB 3.38Å; G114-C117 PolarHBondContact O-N 2.89Å; I115-C117 VanDerWaalsContact C-N 3.32Å; I115-C117 PolarHBondContact O-N 2.87Å; C117-N121 PolarHBondContact O-ND2 3.45Å; C117-Q184 VanDerWaalsContact SG-C 3.54Å; C117-I185 HydrophobicContact CB-CG1 4.16Å; C117-C195 VanDerWaalsContact C-SG 3.54Å; C117-C195 WeakPolarHBondContact CA-SG 3.4Å; C117-C195 HydrophobicContact CB-CB 3.75Å; C117-C195 WeakPolarHBondContact CB-SG 3.32Å; C117-C195 PolarHBondContact O-SG 3.25Å; C117-C195 VanDerWaalsContact O-SG 3.35Å; C117-C195 VanDerWaalsContact SG-CA 3.6Å; C117-C195 WeakPolarHBondContact SG-CB 3.18Å; C117-C195 CovalentContact SG-SG 2.02Å; C117-C195 PolarHBondContact SG-SG 2.93Å
118R94Very high93.8Very high91 Ų9139.4 Ų39.434%0.34321%0.212SC..Hα-helixtrans-67.5-50.5176.6-70.3176.1-177-177.95112.3G114 I115 L116 Y122 L180 C183G114-R118 PolarHBondContact O-N 3.24Å; I115-R118 PolarHBondContact O-N 2.68Å; L116-R118 VanDerWaalsContact C-N 3.3Å; L116-R118 PolarHBondContact O-N 3.29Å; R118-Y122 VanDerWaalsContact O-CB 3.24Å; R118-Y122 WeakPolarHBondContact O-CB 3.44Å; R118-Y122 PolarHBondContact O-N 3.26Å; R118-L180 HydrophobicContact CB-CD1 3.91Å; R118-L180 WeakPolarHBondContact CD-O 3.2Å; R118-C183 WeakPolarHBondContact CG-O 3.3Å; R118-C183 PolarHBondContact NE-O 2.99Å
119L94.4Very high94.2Very high71 Ų7138 Ų3837%0.37221%0.205SC..Hα-helixtrans-68-40.2-173.3-70.1177.1000113.5I115 L116 L123 L180I115-L119 HydrophobicContact CG2-CD1 3.67Å; I115-L119 HydrophobicContact CG2-CG 4.29Å; I115-L119 WeakPolarHBondContact O-CB 3.26Å; I115-L119 WeakPolarHBondContact O-CG 3.31Å; I115-L119 PolarHBondContact O-N 2.96Å; L116-L119 PolarHBondContact O-N 3.21Å; L119-L123 VanDerWaalsContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CB 3.38Å; L119-L123 VanDerWaalsContact O-CG 3.24Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 3.49Å; L119-L180 HydrophobicContact CD2-CD1 3.98Å
120V94.4Very high94.5Very high3 Ų334.4 Ų34.42%0.01819%0.19CC..Hα-helixtrans-66.5-46.8-178.5171.70000110.5F99 W110 L116 L123 Q124F99-V120 HydrophobicContact CB-CG1 4.12Å; F99-V120 HydrophobicContact CB-CG2 3.9Å; F99-V120 HydrophobicContact CD2-CG2 3.78Å; F99-V120 HydrophobicContact CG-CG2 3.88Å; W110-V120 HydrophobicContact CH2-CB 3.9Å; W110-V120 HydrophobicContact CH2-CG1 4.16Å; W110-V120 HydrophobicContact CH2-CG2 4Å; W110-V120 HydrophobicContact CZ2-CG2 4.43Å; L116-V120 VanDerWaalsContact O-CB 3.3Å; L116-V120 WeakPolarHBondContact O-CB 3.21Å; L116-V120 VanDerWaalsContact O-CG2 3.27Å; L116-V120 WeakPolarHBondContact O-CG2 3.38Å; L116-V120 PolarHBondContact O-N 2.85Å; V120-L123 PolarHBondContact O-N 3.27Å; V120-Q124 WeakPolarHBondContact O-CG 3.35Å; V120-Q124 PolarHBondContact O-N 3.15Å
121N92.8Very high94.6Very high40 Ų4034 Ų3421%0.21419%0.189CC..Hα-helixtrans-64.6-42.3177.1-75.9-74.8000112C117 L123 Q124 G125 C183 C195C117-N121 PolarHBondContact O-ND2 3.45Å; N121-L123 PolarHBondContact O-N 3.42Å; N121-Q124 PolarHBondContact O-N 3.31Å; N121-G125 PolarHBondContact O-N 3.42Å; N121-C183 HydrophobicContact CB-CB 4.4Å; N121-C183 VanDerWaalsContact CB-SG 3.57Å; N121-C195 PolarHBondContact ND2-SG 2.9Å
122Y94.8Very high94.7Very high36 Ų3631.3 Ų31.314%0.14117%0.172CC..Hα-helixtrans-56.4-51.1172.2171-102.6000111.8R118 Q124 G125 V126 M173 S176 I177 L180R118-Y122 VanDerWaalsContact O-CB 3.24Å; R118-Y122 WeakPolarHBondContact O-CB 3.44Å; R118-Y122 PolarHBondContact O-N 3.26Å; Y122-Q124 VanDerWaalsContact C-N 3.35Å; Y122-Q124 PolarHBondContact O-N 2.95Å; Y122-G125 PolarHBondContact O-N 2.88Å; Y122-V126 HydrophobicContact CD1-CG2 4.24Å; Y122-V126 HydrophobicContact CD2-CG2 4.32Å; Y122-V126 HydrophobicContact CE1-CG2 3.8Å; Y122-V126 HydrophobicContact CE2-CG2 3.87Å; Y122-V126 HydrophobicContact CG-CG2 4.48Å; Y122-V126 WeakPolarHBondContact O-CG2 3.4Å; Y122-V126 PolarHBondContact O-N 3.21Å; Y122-M173 WeakPolarHBondContact OH-CA 3.46Å; Y122-M173 WeakPolarHBondContact OH-CB 3.45Å; Y122-M173 PolarHBondContact OH-O 3.32Å; Y122-S176 VanDerWaalsContact CD2-O 3.27Å; Y122-S176 WeakPolarHBondContact CD2-O 3.3Å; Y122-I177 HydrophobicContact CE2-CG1 4.36Å; Y122-L180 HydrophobicContact CD2-CB 4.12Å; Y122-L180 HydrophobicContact CG-CB 4.42Å; Y122-L180 HydrophobicContact CG-CD1 4.14Å
123L96.1Very high94.8Very high47 Ų4730.3 Ų30.325%0.24617%0.167CC..Hα-helixtrans-65.6-35.4-178.4-74.4175.6000112.9I95 L119 V120 N121 G125 V126 V127I95-L123 HydrophobicContact CG2-CD1 3.84Å; L119-L123 VanDerWaalsContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CB 3.38Å; L119-L123 VanDerWaalsContact O-CG 3.24Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 3.49Å; V120-L123 PolarHBondContact O-N 3.27Å; N121-L123 PolarHBondContact O-N 3.42Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.26Å; L123-V126 PolarHBondContact O-N 3.44Å; L123-V127 WeakPolarHBondContact O-CB 3.42Å; L123-V127 WeakPolarHBondContact O-CG2 3.4Å; L123-V127 PolarHBondContact O-N 2.96Å
124Q93.7Very high95.1Very high32 Ų3228.7 Ų28.715%0.1515%0.151CC..Hα-helixtrans-56.7-49.3172.3-78.7-180-0.300111C96 T100 V120 N121 Y122 V127 V128C96-Q124 HydrophobicContact CB-CG 3.65Å; T100-Q124 PolarHBondContact OG1-NE2 3.2Å; V120-Q124 WeakPolarHBondContact O-CG 3.35Å; V120-Q124 PolarHBondContact O-N 3.15Å; N121-Q124 PolarHBondContact O-N 3.31Å; Y122-Q124 VanDerWaalsContact C-N 3.35Å; Y122-Q124 PolarHBondContact O-N 2.95Å; Q124-V127 PolarHBondContact O-N 2.9Å; Q124-V128 VanDerWaalsContact O-CG2 3.28Å; Q124-V128 WeakPolarHBondContact O-CG2 3.38Å; Q124-V128 PolarHBondContact O-N 3.34Å
125G93.8Very high95.3Very high13 Ų1327.2 Ų27.213%0.13414%0.135CC..Hα-helixtrans-56-53.117500000111.9N121 Y122 L123 V127 V128 F129N121-G125 PolarHBondContact O-N 3.42Å; Y122-G125 PolarHBondContact O-N 2.88Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.26Å; G125-V127 PolarHBondContact O-N 2.95Å; G125-V128 PolarHBondContact O-N 3.4Å; G125-F129 WeakPolarHBondContact O-CD2 3.41Å; G125-F129 PolarHBondContact O-N 3.48Å
126V96.8Very high95.5Very high3 Ų322 Ų222%0.01811%0.109CC..Hα-helixtrans-55.7-49.9-178.61730000111.5Y122 L123 V128 F129 I130 A172 M173 S176Y122-V126 HydrophobicContact CD1-CG2 4.24Å; Y122-V126 HydrophobicContact CD2-CG2 4.32Å; Y122-V126 HydrophobicContact CE1-CG2 3.8Å; Y122-V126 HydrophobicContact CE2-CG2 3.87Å; Y122-V126 HydrophobicContact CG-CG2 4.48Å; Y122-V126 WeakPolarHBondContact O-CG2 3.4Å; Y122-V126 PolarHBondContact O-N 3.21Å; L123-V126 PolarHBondContact O-N 3.44Å; V126-V128 PolarHBondContact O-N 3.16Å; V126-F129 PolarHBondContact O-N 3.21Å; V126-I130 HydrophobicContact CG1-CD1 3.63Å; V126-I130 HydrophobicContact CG1-CG1 4.32Å; V126-I130 VanDerWaalsContact O-CG1 3.28Å; V126-I130 WeakPolarHBondContact O-CG1 3.24Å; V126-I130 PolarHBondContact O-N 2.78Å; V126-A172 HydrophobicContact CG1-CB 4.33Å; V126-M173 HydrophobicContact CG1-CG 4.02Å; V126-M173 HydrophobicContact CG2-CG 4.32Å; V126-S176 WeakPolarHBondContact CA-OG 3.35Å; V126-S176 PolarHBondContact N-OG 3.13Å; V126-S176 VanDerWaalsContact N-OG 3.16Å
127V96.7Very high95.6Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-63.3-43.6-175.9171.40000111.5S88 L91 H92 L123 Q124 G125 F129 I130 C131S88-V127 WeakPolarHBondContact O-CG1 3.39Å; L91-V127 HydrophobicContact CB-CG2 4.15Å; L91-V127 HydrophobicContact CD2-CG2 3.57Å; L91-V127 HydrophobicContact CG-CG2 3.54Å; H92-V127 HydrophobicContact CB-CG1 3.55Å; L123-V127 WeakPolarHBondContact O-CB 3.42Å; L123-V127 WeakPolarHBondContact O-CG2 3.4Å; L123-V127 PolarHBondContact O-N 2.96Å; Q124-V127 PolarHBondContact O-N 2.9Å; G125-V127 PolarHBondContact O-N 2.95Å; V127-F129 VanDerWaalsContact C-N 3.35Å; V127-F129 PolarHBondContact O-N 3.07Å; V127-I130 PolarHBondContact O-N 3.28Å; V127-C131 PolarHBondContact O-N 3.46Å; V127-C131 PolarHBondContact O-SG 3.21Å; V127-C131 VanDerWaalsContact O-SG 3.39Å
128V94.8Very high95.6Very high5 Ų521.2 Ų21.23%0.0310%0.104CC..Hα-helixtrans-65.8-39.1179.4-179.20000111Q124 G125 V126 C131 A132 Q261 Y314Q124-V128 VanDerWaalsContact O-CG2 3.28Å; Q124-V128 WeakPolarHBondContact O-CG2 3.38Å; Q124-V128 PolarHBondContact O-N 3.34Å; G125-V128 PolarHBondContact O-N 3.4Å; V126-V128 PolarHBondContact O-N 3.16Å; V128-C131 PolarHBondContact O-N 2.88Å; V128-A132 WeakPolarHBondContact O-CB 3.36Å; V128-A132 PolarHBondContact O-N 3.02Å; V128-Q261 HydrophobicContact CB-CG 4.21Å; V128-Q261 HydrophobicContact CG1-CG 3.33Å; V128-Y314 PolarHBondContact O-OH 2.94Å
129F96.5Very high95.7Very high2 Ų216.9 Ų16.91%0.0099%0.088CC..Hα-helixtrans-62-44.3172.3-80.6-64.5000112.3G125 V126 V127 C131 A132 F133 A172 I175 S176 F260 Q261G125-F129 WeakPolarHBondContact O-CD2 3.41Å; G125-F129 PolarHBondContact O-N 3.48Å; V126-F129 PolarHBondContact O-N 3.21Å; V127-F129 VanDerWaalsContact C-N 3.35Å; V127-F129 PolarHBondContact O-N 3.07Å; F129-C131 VanDerWaalsContact C-N 3.33Å; F129-C131 PolarHBondContact O-N 2.92Å; F129-A132 PolarHBondContact O-N 3Å; F129-F133 HydrophobicContact CB-CE2 4.41Å; F129-F133 HydrophobicContact CD1-CE1 4.39Å; F129-F133 HydrophobicContact CD1-CE2 4.18Å; F129-F133 AromaticContact CD1-CZ 3.85Å; F129-F133 HydrophobicContact CD1-CZ 3.85Å; F129-F133 HydrophobicContact CE1-CZ 4.48Å; F129-F133 WeakPolarHBondContact O-CB 3.34Å; F129-F133 WeakPolarHBondContact O-CG 3.26Å; F129-F133 PolarHBondContact O-N 3.05Å; F129-A172 HydrophobicContact CB-CB 3.61Å; F129-I175 HydrophobicContact CD2-CG2 4.34Å; F129-I175 HydrophobicContact CE1-CG2 4.02Å; F129-I175 HydrophobicContact CE2-CB 4.36Å; F129-I175 HydrophobicContact CE2-CG2 3.62Å; F129-I175 HydrophobicContact CZ-CB 4.48Å; F129-I175 HydrophobicContact CZ-CG2 3.43Å; F129-I175 VanDerWaalsContact CZ-CG2 3.43Å; F129-S176 WeakPolarHBondContact CD2-OG 3.24Å; F129-F260 HydrophobicContact CE1-CB 3.83Å; F129-Q261 HydrophobicContact CD1-CB 4.3Å; F129-Q261 HydrophobicContact CD1-CG 4.45Å; F129-Q261 HydrophobicContact CE1-CB 3.79Å; F129-Q261 HydrophobicContact CE1-CG 4.33Å; F129-Q261 HydrophobicContact CZ-CB 4.13Å
130I97.5Very high95.7Very high0 Ų016.7 Ų16.70%09%0.087CC..Hα-helixtrans-60.4-45.1177.5-63.8163000110.3S88 V126 V127 T134 I168 W169 A172S88-I130 WeakPolarHBondContact OG-CG2 3.32Å; V126-I130 HydrophobicContact CG1-CD1 3.63Å; V126-I130 HydrophobicContact CG1-CG1 4.32Å; V126-I130 VanDerWaalsContact O-CG1 3.28Å; V126-I130 WeakPolarHBondContact O-CG1 3.24Å; V126-I130 PolarHBondContact O-N 2.78Å; V127-I130 PolarHBondContact O-N 3.28Å; I130-T134 WeakPolarHBondContact O-CB 3.24Å; I130-T134 PolarHBondContact O-N 2.76Å; I130-T134 PolarHBondContact O-OG1 2.99Å; I130-I168 HydrophobicContact CG2-CG2 4.25Å; I130-W169 HydrophobicContact CD1-CD2 3.63Å; I130-W169 HydrophobicContact CD1-CE3 3.43Å; I130-W169 VanDerWaalsContact CD1-CE3 3.43Å; I130-W169 HydrophobicContact CD1-CG 4.41Å; I130-W169 HydrophobicContact CD1-CH2 3.69Å; I130-W169 HydrophobicContact CD1-CZ2 3.87Å; I130-W169 HydrophobicContact CD1-CZ3 3.47Å; I130-W169 VanDerWaalsContact CD1-CZ3 3.47Å; I130-W169 HydrophobicContact CG1-CD2 4.33Å; I130-W169 HydrophobicContact CG1-CE3 4.49Å; I130-A172 HydrophobicContact CD1-CB 4.47Å; I130-A172 HydrophobicContact CG1-CB 3.6Å
131C96.6Very high95.6Very high2 Ų216.8 Ų16.81%0.0149%0.087CC..Hα-helixtrans-61.3-50177.4-69.40000111.6V127 V128 F129 F133 T134 H135 Y314V127-C131 PolarHBondContact O-N 3.46Å; V127-C131 PolarHBondContact O-SG 3.21Å; V127-C131 VanDerWaalsContact O-SG 3.39Å; V128-C131 PolarHBondContact O-N 2.88Å; F129-C131 VanDerWaalsContact C-N 3.33Å; F129-C131 PolarHBondContact O-N 2.92Å; C131-F133 PolarHBondContact O-N 3.23Å; C131-T134 PolarHBondContact O-N 2.66Å; C131-H135 PolarHBondContact O-CD2 2.9Å; C131-H135 PolarHBondContact O-N 3.09Å; C131-Y314 HydrophobicContact CB-CE2 3.76Å
132A96.5Very high95.5Very high0 Ų015.4 Ų15.40%08%0.079CC..Hα-helixtrans-58.7-50.8-179.900000112.4V128 F129 T134 H135 V136 P265 Y314V128-A132 WeakPolarHBondContact O-CB 3.36Å; V128-A132 PolarHBondContact O-N 3.02Å; F129-A132 PolarHBondContact O-N 3Å; A132-T134 VanDerWaalsContact C-N 3.34Å; A132-T134 PolarHBondContact O-N 3.46Å; A132-H135 PolarHBondContact O-N 2.88Å; A132-V136 WeakPolarHBondContact O-CG2 3.28Å; A132-V136 PolarHBondContact O-N 3.3Å; A132-V136 VanDerWaalsContact O-N 3.15Å; A132-P265 HydrophobicContact CB-CB 4.18Å; A132-P265 HydrophobicContact CB-CG 3.96Å; A132-Y314 HydrophobicContact CB-CE1 4.47Å; A132-Y314 PolarHBondContact N-OH 3.5Å
133F97.4Very high95.3Very high37 Ų3715.4 Ų15.416%0.1628%0.081CC..Hα-helixtrans-68.1-33179.3-64.3-18.4000112.6F129 C131 V136 I137 I168 C171 I175F129-F133 HydrophobicContact CB-CE2 4.41Å; F129-F133 HydrophobicContact CD1-CE1 4.39Å; F129-F133 HydrophobicContact CD1-CE2 4.18Å; F129-F133 AromaticContact CD1-CZ 3.85Å; F129-F133 HydrophobicContact CD1-CZ 3.85Å; F129-F133 HydrophobicContact CE1-CZ 4.48Å; F129-F133 WeakPolarHBondContact O-CB 3.34Å; F129-F133 WeakPolarHBondContact O-CG 3.26Å; F129-F133 PolarHBondContact O-N 3.05Å; C131-F133 PolarHBondContact O-N 3.23Å; F133-V136 PolarHBondContact O-N 3.23Å; F133-I137 PolarHBondContact O-N 3.02Å; F133-I168 HydrophobicContact CB-CD1 4.14Å; F133-I168 HydrophobicContact CB-CG1 4Å; F133-I168 HydrophobicContact CB-CG2 3.89Å; F133-I168 HydrophobicContact CD2-CG2 4.34Å; F133-C171 HydrophobicContact CE2-CB 4.4Å; F133-I175 HydrophobicContact CE2-CD1 4.29Å; F133-I175 HydrophobicContact CZ-CD1 4.27Å
134T97Very high95.1Very high0 Ų014.3 Ų14.30%08%0.076CC..Hα-helixtrans-64.3-41.2173.4-60.20000111.2N84 L85 I130 C131 A132 V136 I137 I138N84-T134 PolarHBondContact ND2-OG1 3.45Å; L85-T134 HydrophobicContact CB-CG2 4.11Å; L85-T134 HydrophobicContact CD1-CG2 4.25Å; I130-T134 WeakPolarHBondContact O-CB 3.24Å; I130-T134 PolarHBondContact O-N 2.76Å; I130-T134 PolarHBondContact O-OG1 2.99Å; C131-T134 PolarHBondContact O-N 2.66Å; A132-T134 VanDerWaalsContact C-N 3.34Å; A132-T134 PolarHBondContact O-N 3.46Å; T134-V136 PolarHBondContact O-N 3.3Å; T134-I137 PolarHBondContact O-N 3.45Å; T134-I138 HydrophobicContact CG2-CD1 3.89Å; T134-I138 HydrophobicContact CG2-CG1 4.42Å; T134-I138 VanDerWaalsContact O-CG1 3.25Å; T134-I138 WeakPolarHBondContact O-CG1 3.33Å; T134-I138 PolarHBondContact O-N 2.94Å
135H96.1Very high94.7Very high3 Ų313.8 Ų13.81%0.0148%0.078CC..Hα-helixtrans-62.2-41.5175-78.2-62.9000112.6C131 A132 I138 S139 I269 Y314C131-H135 PolarHBondContact O-CD2 2.9Å; C131-H135 PolarHBondContact O-N 3.09Å; A132-H135 PolarHBondContact O-N 2.88Å; H135-I138 PolarHBondContact O-N 3.42Å; H135-S139 PolarHBondContact O-N 2.92Å; H135-I269 HydrophobicContact CB-CD1 3.76Å; H135-Y314 AromaticContact CD2-CD1 3.54Å; H135-Y314 AromaticContact CD2-CE1 3.92Å; H135-Y314 AromaticContact CD2-CG 3.6Å; H135-Y314 AromaticContact NE2-CD1 3.88Å; H135-Y314 AromaticContact NE2-CD2 3.68Å; H135-Y314 AromaticContact NE2-CG 3.42Å
136V97.4Very high94.3Very high21 Ų2115.3 Ų15.313%0.1278%0.084CC..Hα-helixtrans-60.1-48174.9170.40000111.3A132 F133 T134 I138 S139 I140 P265 V268 I269A132-V136 WeakPolarHBondContact O-CG2 3.28Å; A132-V136 PolarHBondContact O-N 3.3Å; A132-V136 VanDerWaalsContact O-N 3.15Å; F133-V136 PolarHBondContact O-N 3.23Å; T134-V136 PolarHBondContact O-N 3.3Å; V136-I138 VanDerWaalsContact C-N 3.34Å; V136-I138 PolarHBondContact O-N 2.95Å; V136-S139 PolarHBondContact O-N 3.04Å; V136-S139 PolarHBondContact O-OG 3.36Å; V136-I140 HydrophobicContact CG1-CD1 3.81Å; V136-I140 WeakPolarHBondContact O-CG1 3.42Å; V136-I140 PolarHBondContact O-N 2.96Å; V136-P265 HydrophobicContact CG2-CB 3.77Å; V136-V268 HydrophobicContact CG1-CB 4.31Å; V136-V268 HydrophobicContact CG1-CG1 3.7Å; V136-V268 HydrophobicContact CG2-CB 4.45Å; V136-I269 HydrophobicContact CG2-CD1 4.4Å; V136-I269 HydrophobicContact CG2-CG1 4.26Å
137I96.3Very high93.9Very high36 Ų3623 Ų2319%0.18511%0.113CC..Hα-helixtrans-65.9-37.8178.9-69.1-53.7000111.9F81 F133 T134 S139 I140 D141 I164 I168F81-I137 HydrophobicContact CD1-CG2 3.97Å; F81-I137 HydrophobicContact CD2-CG2 4.04Å; F81-I137 HydrophobicContact CE1-CG2 3.56Å; F81-I137 HydrophobicContact CE2-CG2 3.62Å; F81-I137 HydrophobicContact CG-CG2 4.21Å; F81-I137 HydrophobicContact CZ-CG2 3.37Å; F133-I137 PolarHBondContact O-N 3.02Å; T134-I137 PolarHBondContact O-N 3.45Å; I137-S139 VanDerWaalsContact C-N 3.32Å; I137-S139 PolarHBondContact O-N 3.13Å; I137-I140 HydrophobicContact CD1-CD1 4.45Å; I137-I140 PolarHBondContact O-N 3.46Å; I137-D141 VanDerWaalsContact O-CB 3.24Å; I137-D141 WeakPolarHBondContact O-CB 3.02Å; I137-D141 PolarHBondContact O-N 3.04Å; I137-I164 HydrophobicContact CD1-CG2 3.98Å; I137-I164 HydrophobicContact CG1-CG2 3.83Å; I137-I164 HydrophobicContact CG2-CG2 4.05Å; I137-I168 HydrophobicContact CB-CD1 4.44Å; I137-I168 HydrophobicContact CG1-CD1 3.68Å
138I94.8Very high93.5Very high3 Ų325.7 Ų25.72%0.01513%0.131CC..Hα-helixtrans-60.2-44.3173.6-70.8167.7000110.3F81 L82 L85 T134 H135 V136 D141 R142 V307F81-I138 HydrophobicContact CB-CD1 4.16Å; F81-I138 HydrophobicContact CB-CG1 3.64Å; F81-I138 HydrophobicContact CG-CG1 4.4Å; L82-I138 HydrophobicContact CD2-CD1 4.32Å; L85-I138 HydrophobicContact CD2-CD1 4.25Å; T134-I138 HydrophobicContact CG2-CD1 3.89Å; T134-I138 HydrophobicContact CG2-CG1 4.42Å; T134-I138 VanDerWaalsContact O-CG1 3.25Å; T134-I138 WeakPolarHBondContact O-CG1 3.33Å; T134-I138 PolarHBondContact O-N 2.94Å; H135-I138 PolarHBondContact O-N 3.42Å; V136-I138 VanDerWaalsContact C-N 3.34Å; V136-I138 PolarHBondContact O-N 2.95Å; I138-D141 PolarHBondContact O-N 3.29Å; I138-R142 WeakPolarHBondContact O-CG 3.33Å; I138-R142 PolarHBondContact O-N 3.45Å; I138-V307 HydrophobicContact CG2-CB 3.85Å; I138-V307 HydrophobicContact CG2-CG1 3.82Å; I138-V307 HydrophobicContact CG2-CG2 4.2Å
139S95Very high92.9Very high0 Ų028.4 Ų28.40%015%0.149CC..Hα-helixtrans-66.5-41.3-179.181.80000112.2H135 V136 I137 R142 L143 T272H135-S139 PolarHBondContact O-N 2.92Å; V136-S139 PolarHBondContact O-N 3.04Å; V136-S139 PolarHBondContact O-OG 3.36Å; I137-S139 VanDerWaalsContact C-N 3.32Å; I137-S139 PolarHBondContact O-N 3.13Å; S139-R142 PolarHBondContact O-N 2.93Å; S139-L143 PolarHBondContact O-N 2.9Å; S139-T272 WeakPolarHBondContact CB-OG1 3.38Å; S139-T272 PolarHBondContact OG-OG1 2.79Å
140I94.3Very high92.3Very high67 Ų6735 Ų3534%0.34418%0.183SC..Hα-helixtrans-64.7-43.6174-66.3169.5000111.2V136 I137 R142 L143 T144 V268 T272V136-I140 HydrophobicContact CG1-CD1 3.81Å; V136-I140 WeakPolarHBondContact O-CG1 3.42Å; V136-I140 PolarHBondContact O-N 2.96Å; I137-I140 HydrophobicContact CD1-CD1 4.45Å; I137-I140 PolarHBondContact O-N 3.46Å; I140-R142 VanDerWaalsContact C-N 3.28Å; I140-R142 PolarHBondContact O-N 2.66Å; I140-L143 PolarHBondContact O-N 3.4Å; I140-T144 HydrophobicContact CG2-CG2 4.17Å; I140-T144 WeakPolarHBondContact O-CB 3.34Å; I140-T144 VanDerWaalsContact O-CG2 3.31Å; I140-T144 WeakPolarHBondContact O-CG2 3.46Å; I140-T144 PolarHBondContact O-N 3.48Å; I140-T144 PolarHBondContact O-OG1 3.15Å; I140-V268 HydrophobicContact CD1-CG1 4.39Å; I140-T272 HydrophobicContact CG1-CG2 4.05Å
141D92.2Very high91.9Very high5 Ų541.5 Ų41.53%0.02721%0.207CC..Hα-helixtrans-60.3-38.3175.4163.565.4000111.2T78 F81 I137 I138 T144 A145 L156T78-D141 PolarHBondContact OG1-OD2 2.97Å; F81-D141 HydrophobicContact CD2-CB 4.34Å; F81-D141 HydrophobicContact CE2-CB 3.99Å; I137-D141 VanDerWaalsContact O-CB 3.24Å; I137-D141 WeakPolarHBondContact O-CB 3.02Å; I137-D141 PolarHBondContact O-N 3.04Å; I138-D141 PolarHBondContact O-N 3.29Å; D141-T144 WeakPolarHBondContact CA-OG1 3.34Å; D141-T144 PolarHBondContact O-OG1 3Å; D141-T144 VanDerWaalsContact O-OG1 3.05Å; D141-A145 WeakPolarHBondContact O-CB 3.45Å; D141-A145 PolarHBondContact O-N 3.37Å; D141-L156 HydrophobicContact CB-CD2 4.36Å; D141-L156 VanDerWaalsContact OD1-CD2 3.24Å; D141-L156 WeakPolarHBondContact OD1-CD2 3.4Å
142R91.2Very high91.4Very high12 Ų1244.3 Ų44.35%0.04522%0.218CC..Hα-helixtrans-67.9-43.2172.5-65-49.973.6-169.6-9.7112.7T78 I138 S139 I140 A145 V146 I276 I304 V307T78-R142 PolarHBondContact OG1-NH2 3.44Å; I138-R142 WeakPolarHBondContact O-CG 3.33Å; I138-R142 PolarHBondContact O-N 3.45Å; S139-R142 PolarHBondContact O-N 2.93Å; I140-R142 VanDerWaalsContact C-N 3.28Å; I140-R142 PolarHBondContact O-N 2.66Å; R142-A145 WeakPolarHBondContact O-CA 3.34Å; R142-A145 WeakPolarHBondContact O-CB 3.39Å; R142-A145 PolarHBondContact O-N 3.1Å; R142-A145 VanDerWaalsContact O-N 3.1Å; R142-V146 WeakPolarHBondContact O-CG2 3.49Å; R142-V146 PolarHBondContact O-N 3.12Å; R142-V146 VanDerWaalsContact O-N 3.13Å; R142-I276 HydrophobicContact CB-CD1 3.58Å; R142-I304 HydrophobicContact CB-CG1 4.37Å; R142-I304 HydrophobicContact CG-CG1 4.36Å; R142-V307 HydrophobicContact CG-CG2 3.56Å
143L91.7Very high90.7Very high36 Ų3651.9 Ų51.919%0.18825%0.246CC..Hα-helixtrans-62.1-50.2179.2176.562.4000111.2S139 I140 A145 V146 R147 T272 A275 I276S139-L143 PolarHBondContact O-N 2.9Å; I140-L143 PolarHBondContact O-N 3.4Å; L143-A145 PolarHBondContact O-N 3.31Å; L143-V146 PolarHBondContact O-N 2.99Å; L143-V146 VanDerWaalsContact O-N 3.13Å; L143-R147 WeakPolarHBondContact O-CB 3.28Å; L143-R147 PolarHBondContact O-N 3.02Å; L143-T272 HydrophobicContact CD2-CG2 3.99Å; L143-A275 HydrophobicContact CD1-CB 3.82Å; L143-I276 HydrophobicContact CB-CD1 4.11Å; L143-I276 HydrophobicContact CB-CG1 4.05Å; L143-I276 HydrophobicContact CD1-CG1 3.8Å
144T90.5Very high90.1Very high23 Ų2360.4 Ų60.414%0.14128%0.277CS..Hα-helixtrans-61.8-27.1175.159.60000111.4I140 D141 C148 W151I140-T144 HydrophobicContact CG2-CG2 4.17Å; I140-T144 WeakPolarHBondContact O-CB 3.34Å; I140-T144 VanDerWaalsContact O-CG2 3.31Å; I140-T144 WeakPolarHBondContact O-CG2 3.46Å; I140-T144 PolarHBondContact O-N 3.48Å; I140-T144 PolarHBondContact O-OG1 3.15Å; D141-T144 WeakPolarHBondContact CA-OG1 3.34Å; D141-T144 PolarHBondContact O-OG1 3Å; D141-T144 VanDerWaalsContact O-OG1 3.05Å; T144-C148 CarbonylContact O-C 3.54Å; T144-C148 PolarHBondContact O-N 3.1Å; T144-C148 VanDerWaalsContact O-N 3.14Å; T144-W151 HydrophobicContact CG2-CE3 4.17Å; T144-W151 HydrophobicContact CG2-CZ3 3.71Å
145A86.3Confident89.5Confident22 Ų2263.3 Ų63.318%0.18229%0.293CS..Hα-helixtrans-70.5-32.617600000115.4D141 R142 L143 R152D141-A145 WeakPolarHBondContact O-CB 3.45Å; D141-A145 PolarHBondContact O-N 3.37Å; R142-A145 WeakPolarHBondContact O-CA 3.34Å; R142-A145 WeakPolarHBondContact O-CB 3.39Å; R142-A145 PolarHBondContact O-N 3.1Å; R142-A145 VanDerWaalsContact O-N 3.1Å; L143-A145 PolarHBondContact O-N 3.31Å; A145-R152 PolarHBondContact O-NH1 2.87Å; A145-R152 VanDerWaalsContact O-NH1 3.16Å
146V85.8Confident89Confident45 Ų4564.5 Ų64.527%0.27330%0.299SS..Hα-helixtrans-87-50.5178.2-178.90000110.7R142 L143 I276 Q279 I304R142-V146 WeakPolarHBondContact O-CG2 3.49Å; R142-V146 PolarHBondContact O-N 3.12Å; R142-V146 VanDerWaalsContact O-N 3.13Å; L143-V146 PolarHBondContact O-N 2.99Å; L143-V146 VanDerWaalsContact O-N 3.13Å; V146-I276 HydrophobicContact CG2-CG2 4.25Å; V146-Q279 HydrophobicContact CG1-CB 4.22Å; V146-Q279 HydrophobicContact CG1-CG 3.61Å; V146-I304 HydrophobicContact CG2-CD1 3.42Å; V146-I304 VanDerWaalsContact CG2-CD1 3.42Å
147R88Confident88.5Confident165 Ų16565.5 Ų65.562%0.62331%0.307SS*.Hα-helixtrans-80.4-42.6-170.9-167174.4178.8141.2-2113.5L143 P149L143-R147 WeakPolarHBondContact O-CB 3.28Å; L143-R147 PolarHBondContact O-N 3.02Å; R147-P149 WeakPolarHBondContact O-CD 3.26Å
148C87.1Confident88.1Confident56 Ų5666.1 Ų66.138%0.37831%0.312SS..  trans-129.564.1-171.3-57.90000112T144 I150 W151 R152T144-C148 CarbonylContact O-C 3.54Å; T144-C148 PolarHBondContact O-N 3.1Å; T144-C148 VanDerWaalsContact O-N 3.14Å; C148-I150 VanDerWaalsContact C-N 3.29Å; C148-I150 PolarHBondContact O-N 3.32Å; C148-W151 HydrophobicContact CB-CB 3.95Å; C148-W151 PolarHBondContact O-N 3.3Å; C148-R152 PolarHBondContact O-N 3.34Å
149P83.4Confident87.9Confident61 Ų6170.1 Ų70.140%0.39634%0.337SS..Hα-helixtrans-63.4-29.7-171.525-34.9000114.3R147 R153R147-P149 WeakPolarHBondContact O-CD 3.26Å; P149-R153 WeakPolarHBondContact O-CB 3.49Å; P149-R153 PolarHBondContact O-N 3.27Å
150I83.8Confident87.7Confident142 Ų14273.7 Ų73.773%0.72836%0.357SS*.Hα-helixtrans-73.9-50.7178.2-60.9172.1000110.3C148 R152 R153 R154C148-I150 VanDerWaalsContact C-N 3.29Å; C148-I150 PolarHBondContact O-N 3.32Å; I150-R152 VanDerWaalsContact C-N 3.31Å; I150-R152 PolarHBondContact O-N 2.87Å; I150-R153 PolarHBondContact O-N 3.4Å; I150-R153 VanDerWaalsContact O-N 3.14Å; I150-R154 PolarHBondContact O-N 3.2Å
151W88.6Confident87.7Confident135 Ų13570.5 Ų70.551%0.51134%0.34SS..Hα-helixtrans-55.4-47.4175.3179.198.8000110.9T144 C148 R153 R154 N155T144-W151 HydrophobicContact CG2-CE3 4.17Å; T144-W151 HydrophobicContact CG2-CZ3 3.71Å; C148-W151 HydrophobicContact CB-CB 3.95Å; C148-W151 PolarHBondContact O-N 3.3Å; W151-R153 VanDerWaalsContact C-N 3.31Å; W151-R153 PolarHBondContact O-N 3.06Å; W151-R154 PolarHBondContact O-N 3.46Å; W151-N155 HydrophobicContact CD2-CB 4.38Å; W151-N155 HydrophobicContact CZ2-CB 4.23Å; W151-N155 PolarHBondContact NE1-ND2 2.93Å; W151-N155 WeakPolarHBondContact O-CB 3.48Å; W151-N155 PolarHBondContact O-N 3.35Å
152R86.5Confident87.8Confident62 Ų6276.5 Ų76.523%0.23436%0.362CS..Hα-helixtrans-58.1-45.4178.2-171.7-171.486.5-112.520.6111.2A145 C148 I150 R154 L156A145-R152 PolarHBondContact O-NH1 2.87Å; A145-R152 VanDerWaalsContact O-NH1 3.16Å; C148-R152 PolarHBondContact O-N 3.34Å; I150-R152 VanDerWaalsContact C-N 3.31Å; I150-R152 PolarHBondContact O-N 2.87Å; R152-R154 VanDerWaalsContact C-N 3.32Å; R152-R154 PolarHBondContact O-N 3.14Å; R152-L156 HydrophobicContact CG-CB 4.09Å; R152-L156 HydrophobicContact CG-CD2 4.12Å; R152-L156 WeakPolarHBondContact O-CA 3.32Å; R152-L156 VanDerWaalsContact O-CB 3.25Å; R152-L156 WeakPolarHBondContact O-CB 3.31Å; R152-L156 PolarHBondContact O-N 3.43Å
153R82.4Confident88Confident159 Ų15980.8 Ų80.860%0.638%0.384SS*.Hα-helixtrans-65.7-34.7-178.9-173.1-176.5-62.5179.83.6112.5P149 I150 W151P149-R153 WeakPolarHBondContact O-CB 3.49Å; P149-R153 PolarHBondContact O-N 3.27Å; I150-R153 PolarHBondContact O-N 3.4Å; I150-R153 VanDerWaalsContact O-N 3.14Å; W151-R153 VanDerWaalsContact C-N 3.31Å; W151-R153 PolarHBondContact O-N 3.06Å
154R84.5Confident88.2Confident215 Ų21581.5 Ų81.581%0.81139%0.387SS*.Hα-helixtrans-79.1-42.9-179.1-176175.3169.1130.1-2.5112.1I150 W151 R152I150-R154 PolarHBondContact O-N 3.2Å; W151-R154 PolarHBondContact O-N 3.46Å; R152-R154 VanDerWaalsContact C-N 3.32Å; R152-R154 PolarHBondContact O-N 3.14Å
155N84Confident88.5Confident62 Ų6281.2 Ų81.233%0.33239%0.385SS..Hα-helixtrans-100-32.7-169.3-67.6-14.1000113.7W151 S157 N160W151-N155 HydrophobicContact CD2-CB 4.38Å; W151-N155 HydrophobicContact CZ2-CB 4.23Å; W151-N155 PolarHBondContact NE1-ND2 2.93Å; W151-N155 WeakPolarHBondContact O-CB 3.48Å; W151-N155 PolarHBondContact O-N 3.35Å; N155-S157 PolarHBondContact O-N 2.87Å; N155-S157 VanDerWaalsContact O-N 3.1Å; N155-N160 PolarHBondContact O-ND2 3.48Å
156L86.3Confident89Confident27 Ų2785 Ų8514%0.14140%0.402CS..  trans-90.680.4-178.5-164.564.5000109.7V77 D141 R152 I164V77-L156 HydrophobicContact CB-CD2 4.11Å; V77-L156 HydrophobicContact CB-CG 4.13Å; V77-L156 HydrophobicContact CG1-CD1 4.15Å; V77-L156 HydrophobicContact CG1-CD2 3.68Å; V77-L156 HydrophobicContact CG1-CG 3.69Å; V77-L156 HydrophobicContact CG2-CG 4.18Å; V77-L156 WeakPolarHBondContact CG2-O 3.49Å; D141-L156 HydrophobicContact CB-CD2 4.36Å; D141-L156 VanDerWaalsContact OD1-CD2 3.24Å; D141-L156 WeakPolarHBondContact OD1-CD2 3.4Å; R152-L156 HydrophobicContact CG-CB 4.09Å; R152-L156 HydrophobicContact CG-CD2 4.12Å; R152-L156 WeakPolarHBondContact O-CA 3.32Å; R152-L156 VanDerWaalsContact O-CB 3.25Å; R152-L156 WeakPolarHBondContact O-CB 3.31Å; R152-L156 PolarHBondContact O-N 3.43Å; L156-I164 HydrophobicContact CD1-CD1 4.01Å
157S86.6Confident89.6Confident43 Ų4388.1 Ų88.130%0.30142%0.416SS..  trans-84.4166.5173.178.60000111.3N155 T159 N160 A161N155-S157 PolarHBondContact O-N 2.87Å; N155-S157 VanDerWaalsContact O-N 3.1Å; S157-T159 PolarHBondContact O-N 3.25Å; S157-T159 PolarHBondContact OG-N 3.31Å; S157-N160 PolarHBondContact O-N 2.98Å; S157-N160 VanDerWaalsContact OG-CG 3.31Å; S157-N160 PolarHBondContact OG-N 3.23Å; S157-N160 PolarHBondContact OG-OD1 2.92Å; S157-A161 WeakPolarHBondContact O-CB 3.4Å; S157-A161 PolarHBondContact O-N 2.92Å
158V87.5Confident90Very high48 Ų4880.9 Ų80.929%0.29139%0.39SS..Hα-helixtrans-59.6-36.4172.5168.40000111.3I80 R162I80-V158 HydrophobicContact CD1-CB 4.2Å; I80-V158 HydrophobicContact CD1-CG1 3.75Å; I80-V158 HydrophobicContact CD1-CG2 4.16Å; V158-R162 WeakPolarHBondContact O-CG 3.22Å; V158-R162 PolarHBondContact O-N 3.37Å; V158-R162 VanDerWaalsContact O-N 3.13Å
159T89.9Confident90.6Very high88 Ų8881.7 Ų81.754%0.5439%0.385SS..Hα-helixtrans-66-49177.2-51.50000110.6S157 A161 R162 M163S157-T159 PolarHBondContact O-N 3.25Å; S157-T159 PolarHBondContact OG-N 3.31Å; T159-A161 VanDerWaalsContact C-N 3.29Å; T159-A161 PolarHBondContact O-N 3.47Å; T159-R162 WeakPolarHBondContact O-CB 3.48Å; T159-R162 PolarHBondContact O-N 2.91Å; T159-R162 VanDerWaalsContact O-N 3.08Å; T159-M163 WeakPolarHBondContact O-CG 3.47Å; T159-M163 PolarHBondContact O-N 3.27Å
160N92.3Very high91.2Very high75 Ų7581.8 Ų81.840%0.40139%0.386SS..Hα-helixtrans-63.5-38.5-179.2-65.89.8000110.9N155 S157 R162 M163 I164N155-N160 PolarHBondContact O-ND2 3.48Å; S157-N160 PolarHBondContact O-N 2.98Å; S157-N160 VanDerWaalsContact OG-CG 3.31Å; S157-N160 PolarHBondContact OG-N 3.23Å; S157-N160 PolarHBondContact OG-OD1 2.92Å; N160-R162 VanDerWaalsContact C-N 3.35Å; N160-R162 PolarHBondContact O-N 3.22Å; N160-M163 PolarHBondContact O-N 3.4Å; N160-I164 VanDerWaalsContact O-CG1 3.28Å; N160-I164 WeakPolarHBondContact O-CG1 3.5Å; N160-I164 PolarHBondContact O-N 3.47Å
161A93.1Very high91.8Very high0 Ų077.8 Ų77.80%037%0.371CS..Hα-helixtrans-60.9-40.5173.700000113.3V77 I80 F81 S157 T159 I164 L165V77-A161 HydrophobicContact CB-CB 4.45Å; V77-A161 HydrophobicContact CG1-CB 3.38Å; V77-A161 HydrophobicContact CG2-CB 4.41Å; I80-A161 HydrophobicContact CD1-CB 4.15Å; F81-A161 HydrophobicContact CE1-CB 4.15Å; F81-A161 HydrophobicContact CZ-CB 4.02Å; S157-A161 WeakPolarHBondContact O-CB 3.4Å; S157-A161 PolarHBondContact O-N 2.92Å; T159-A161 VanDerWaalsContact C-N 3.29Å; T159-A161 PolarHBondContact O-N 3.47Å; A161-I164 PolarHBondContact O-N 3.34Å; A161-L165 PolarHBondContact O-N 2.93Å; A161-L165 VanDerWaalsContact O-N 3.09Å
162R94Very high92.2Very high131 Ų13171.4 Ų71.449%0.49435%0.346SS..Hα-helixtrans-66.8-41.1175.4-73.2170173.6176.6-5.2111.5V158 T159 N160 L165 L166V158-R162 WeakPolarHBondContact O-CG 3.22Å; V158-R162 PolarHBondContact O-N 3.37Å; V158-R162 VanDerWaalsContact O-N 3.13Å; T159-R162 WeakPolarHBondContact O-CB 3.48Å; T159-R162 PolarHBondContact O-N 2.91Å; T159-R162 VanDerWaalsContact O-N 3.08Å; N160-R162 VanDerWaalsContact C-N 3.35Å; N160-R162 PolarHBondContact O-N 3.22Å; R162-L165 PolarHBondContact O-N 3.23Å; R162-L166 WeakPolarHBondContact O-CG 3.47Å; R162-L166 PolarHBondContact O-N 2.87Å
163M95.5Very high92.7Very high102 Ų10271.9 Ų71.950%0.50235%0.352SS..Hα-helixtrans-62.4-43.3175.3-64.7-53.6-64.900111.6T159 N160 L165 L166 L167T159-M163 WeakPolarHBondContact O-CG 3.47Å; T159-M163 PolarHBondContact O-N 3.27Å; N160-M163 PolarHBondContact O-N 3.4Å; M163-L165 VanDerWaalsContact C-N 3.32Å; M163-L165 PolarHBondContact O-N 3.4Å; M163-L166 PolarHBondContact O-N 3.1Å; M163-L166 HydrophobicContact SD-CD1 4.14Å; M163-L167 WeakPolarHBondContact O-CG 3.5Å; M163-L167 PolarHBondContact O-N 2.9Å
164I96.4Very high93.2Very high50 Ų5069.3 Ų69.326%0.25635%0.349SS..Hα-helixtrans-57.6-45.5174.6-69.2164.1000110.8I137 L156 N160 A161 L167 I168I137-I164 HydrophobicContact CD1-CG2 3.98Å; I137-I164 HydrophobicContact CG1-CG2 3.83Å; I137-I164 HydrophobicContact CG2-CG2 4.05Å; L156-I164 HydrophobicContact CD1-CD1 4.01Å; N160-I164 VanDerWaalsContact O-CG1 3.28Å; N160-I164 WeakPolarHBondContact O-CG1 3.5Å; N160-I164 PolarHBondContact O-N 3.47Å; A161-I164 PolarHBondContact O-N 3.34Å; I164-L167 PolarHBondContact O-N 3.29Å; I164-I168 HydrophobicContact CG2-CD1 4.15Å; I164-I168 WeakPolarHBondContact O-CG1 3.18Å; I164-I168 PolarHBondContact O-N 3.36Å
165L97Very high93.6Very high17 Ų1761.8 Ų61.89%0.08932%0.324CS..Hα-helixtrans-65.1-43.4177.4-73.5-176.4000112.6I80 F81 N84 A161 R162 M163 L167 I168 W169I80-L165 HydrophobicContact CG2-CD1 3.57Å; F81-L165 HydrophobicContact CD1-CD1 4.3Å; F81-L165 HydrophobicContact CD1-CD2 3.85Å; F81-L165 HydrophobicContact CD1-CG 4.03Å; F81-L165 HydrophobicContact CE1-CD2 4.25Å; F81-L165 HydrophobicContact CE1-CG 4.14Å; N84-L165 HydrophobicContact CB-CD1 3.75Å; N84-L165 HydrophobicContact CB-CD2 3.84Å; N84-L165 HydrophobicContact CB-CG 4.46Å; A161-L165 PolarHBondContact O-N 2.93Å; A161-L165 VanDerWaalsContact O-N 3.09Å; R162-L165 PolarHBondContact O-N 3.23Å; M163-L165 VanDerWaalsContact C-N 3.32Å; M163-L165 PolarHBondContact O-N 3.4Å; L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 PolarHBondContact O-N 2.97Å; L165-I168 HydrophobicContact CD2-CD1 4.27Å; L165-I168 WeakPolarHBondContact O-CB 3.32Å; L165-I168 PolarHBondContact O-N 2.93Å; L165-I168 VanDerWaalsContact O-N 3.13Å; L165-W169 VanDerWaalsContact O-CD1 3.25Å; L165-W169 PolarHBondContact O-N 2.99Å
166L97.2Very high94Very high102 Ų10258.9 Ų58.953%0.53431%0.309SS..Hα-helixtrans-58-42.7176-72.7171.2000111.4R162 M163 W169 C170R162-L166 WeakPolarHBondContact O-CG 3.47Å; R162-L166 PolarHBondContact O-N 2.87Å; M163-L166 PolarHBondContact O-N 3.1Å; M163-L166 HydrophobicContact SD-CD1 4.14Å; L166-W169 PolarHBondContact O-N 2.89Å; L166-C170 PolarHBondContact O-N 2.85Å; L166-C170 PolarHBondContact O-SG 3.42Å
167L97.5Very high94.2Very high111 Ų11159.7 Ų59.758%0.58131%0.313SS*.Hα-helixtrans-61.9-44174.4-69.2170.6000111.9M163 I164 L165 W169 C170 C171M163-L167 WeakPolarHBondContact O-CG 3.5Å; M163-L167 PolarHBondContact O-N 2.9Å; I164-L167 PolarHBondContact O-N 3.29Å; L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 PolarHBondContact O-N 2.97Å; L167-W169 VanDerWaalsContact C-N 3.33Å; L167-W169 PolarHBondContact O-N 3.46Å; L167-C170 PolarHBondContact O-N 3.2Å; L167-C171 WeakPolarHBondContact O-CB 3.27Å; L167-C171 PolarHBondContact O-N 2.93Å; L167-C171 PolarHBondContact O-SG 3.4Å
168I97.6Very high94.4Very high13 Ų1359.1 Ų59.17%0.06731%0.309CS..Hα-helixtrans-56.7-47.6175.2-75170.4000111.2I130 F133 I137 I164 L165 C171 A172I130-I168 HydrophobicContact CG2-CG2 4.25Å; F133-I168 HydrophobicContact CB-CD1 4.14Å; F133-I168 HydrophobicContact CB-CG1 4Å; F133-I168 HydrophobicContact CB-CG2 3.89Å; F133-I168 HydrophobicContact CD2-CG2 4.34Å; I137-I168 HydrophobicContact CB-CD1 4.44Å; I137-I168 HydrophobicContact CG1-CD1 3.68Å; I164-I168 HydrophobicContact CG2-CD1 4.15Å; I164-I168 WeakPolarHBondContact O-CG1 3.18Å; I164-I168 PolarHBondContact O-N 3.36Å; L165-I168 HydrophobicContact CD2-CD1 4.27Å; L165-I168 WeakPolarHBondContact O-CB 3.32Å; L165-I168 PolarHBondContact O-N 2.93Å; L165-I168 VanDerWaalsContact O-N 3.13Å; I168-C171 PolarHBondContact O-N 3.34Å; I168-A172 VanDerWaalsContact O-CB 3.25Å; I168-A172 WeakPolarHBondContact O-CB 3.33Å; I168-A172 PolarHBondContact O-N 2.9Å
169W97.8Very high94.4Very high72 Ų7257.2 Ų57.227%0.27330%0.297SS..Hα-helixtrans-62.5-46.3178.9-84.786.8000111.5N84 L91 I130 L165 L166 L167 A172 M173N84-W169 PolarHBondContact OD1-NE1 2.84Å; L91-W169 HydrophobicContact CD2-CH2 3.94Å; L91-W169 HydrophobicContact CD2-CZ3 4.28Å; I130-W169 HydrophobicContact CD1-CD2 3.63Å; I130-W169 HydrophobicContact CD1-CE3 3.43Å; I130-W169 VanDerWaalsContact CD1-CE3 3.43Å; I130-W169 HydrophobicContact CD1-CG 4.41Å; I130-W169 HydrophobicContact CD1-CH2 3.69Å; I130-W169 HydrophobicContact CD1-CZ2 3.87Å; I130-W169 HydrophobicContact CD1-CZ3 3.47Å; I130-W169 VanDerWaalsContact CD1-CZ3 3.47Å; I130-W169 HydrophobicContact CG1-CD2 4.33Å; I130-W169 HydrophobicContact CG1-CE3 4.49Å; L165-W169 VanDerWaalsContact O-CD1 3.25Å; L165-W169 PolarHBondContact O-N 2.99Å; L166-W169 PolarHBondContact O-N 2.89Å; L167-W169 VanDerWaalsContact C-N 3.33Å; L167-W169 PolarHBondContact O-N 3.46Å; W169-A172 PolarHBondContact O-N 3.25Å; W169-M173 HydrophobicContact CB-CE 4.23Å; W169-M173 WeakPolarHBondContact O-CB 3.38Å; W169-M173 WeakPolarHBondContact O-CE 3.36Å; W169-M173 WeakPolarHBondContact O-CG 3.49Å; W169-M173 PolarHBondContact O-N 3.43Å
170C97.7Very high94.4Very high63 Ų6356 Ų5643%0.42629%0.287SS..Hα-helixtrans-60.2-49.1176.1-67.80000111.9L166 L167 A172 M173 I174L166-C170 PolarHBondContact O-N 2.85Å; L166-C170 PolarHBondContact O-SG 3.42Å; L167-C170 PolarHBondContact O-N 3.2Å; C170-A172 PolarHBondContact O-N 3.08Å; C170-M173 PolarHBondContact O-N 2.98Å; C170-I174 WeakPolarHBondContact O-CB 3.24Å; C170-I174 WeakPolarHBondContact O-CD1 3.41Å; C170-I174 WeakPolarHBondContact O-CG1 3.44Å; C170-I174 PolarHBondContact O-N 3.05Å
171C96Very high94.2Very high59 Ų5955.5 Ų55.540%0.39928%0.284SS..Hα-helixtrans-61.1-45.3178.6-68.80000111.9F133 L167 I168 M173 I174 I175F133-C171 HydrophobicContact CE2-CB 4.4Å; L167-C171 WeakPolarHBondContact O-CB 3.27Å; L167-C171 PolarHBondContact O-N 2.93Å; L167-C171 PolarHBondContact O-SG 3.4Å; I168-C171 PolarHBondContact O-N 3.34Å; C171-M173 VanDerWaalsContact C-N 3.34Å; C171-M173 PolarHBondContact O-N 3.22Å; C171-I174 PolarHBondContact O-N 3.32Å; C171-I175 WeakPolarHBondContact O-CB 3.35Å; C171-I175 WeakPolarHBondContact O-CD1 3.19Å; C171-I175 WeakPolarHBondContact O-CG1 3.29Å; C171-I175 PolarHBondContact O-N 3.45Å
172A97Very high93.9Very high0 Ų056.1 Ų56.10%029%0.288CS..Hα-helixtrans-62-41.3178.700000112.3V126 F129 I130 I168 W169 C170 S176V126-A172 HydrophobicContact CG1-CB 4.33Å; F129-A172 HydrophobicContact CB-CB 3.61Å; I130-A172 HydrophobicContact CD1-CB 4.47Å; I130-A172 HydrophobicContact CG1-CB 3.6Å; I168-A172 VanDerWaalsContact O-CB 3.25Å; I168-A172 WeakPolarHBondContact O-CB 3.33Å; I168-A172 PolarHBondContact O-N 2.9Å; W169-A172 PolarHBondContact O-N 3.25Å; C170-A172 PolarHBondContact O-N 3.08Å; A172-S176 WeakPolarHBondContact O-CB 3.33Å; A172-S176 PolarHBondContact O-N 2.89Å; A172-S176 PolarHBondContact O-OG 3.14Å
173M95.8Very high93.7Very high73 Ų7350 Ų5036%0.3626%0.264SS..Hα-helixtrans-63.8-49.1174.6-74.9-172.3-76.200111.5Y122 V126 W169 C170 C171 S176 I177Y122-M173 WeakPolarHBondContact OH-CA 3.46Å; Y122-M173 WeakPolarHBondContact OH-CB 3.45Å; Y122-M173 PolarHBondContact OH-O 3.32Å; V126-M173 HydrophobicContact CG1-CG 4.02Å; V126-M173 HydrophobicContact CG2-CG 4.32Å; W169-M173 HydrophobicContact CB-CE 4.23Å; W169-M173 WeakPolarHBondContact O-CB 3.38Å; W169-M173 WeakPolarHBondContact O-CE 3.36Å; W169-M173 WeakPolarHBondContact O-CG 3.49Å; W169-M173 PolarHBondContact O-N 3.43Å; C170-M173 PolarHBondContact O-N 2.98Å; C171-M173 VanDerWaalsContact C-N 3.34Å; C171-M173 PolarHBondContact O-N 3.22Å; M173-S176 PolarHBondContact O-N 3.1Å; M173-I177 WeakPolarHBondContact O-CG1 3.25Å; M173-I177 PolarHBondContact O-N 3.08Å
174I94.6Very high93.5Very high105 Ų10547.3 Ų47.354%0.53825%0.251SS..Hα-helixtrans-61.5-49-178.7-68.9164.4000111.7C170 C171 S176 I177C170-I174 WeakPolarHBondContact O-CB 3.24Å; C170-I174 WeakPolarHBondContact O-CD1 3.41Å; C170-I174 WeakPolarHBondContact O-CG1 3.44Å; C170-I174 PolarHBondContact O-N 3.05Å; C171-I174 PolarHBondContact O-N 3.32Å; I174-S176 PolarHBondContact O-N 3.13Å; I174-I177 WeakPolarHBondContact O-CB 3.28Å; I174-I177 WeakPolarHBondContact O-CG1 3.43Å; I174-I177 PolarHBondContact O-N 2.98Å
175I91.8Very high93.2Very high56 Ų5647.7 Ų47.729%0.28725%0.253SS..Hα-helixtrans-63.9-29.2-176.7-65.9166.2000111.4F129 F133 C171 P178F129-I175 HydrophobicContact CD2-CG2 4.34Å; F129-I175 HydrophobicContact CE1-CG2 4.02Å; F129-I175 HydrophobicContact CE2-CB 4.36Å; F129-I175 HydrophobicContact CE2-CG2 3.62Å; F129-I175 HydrophobicContact CZ-CB 4.48Å; F129-I175 HydrophobicContact CZ-CG2 3.43Å; F129-I175 VanDerWaalsContact CZ-CG2 3.43Å; F133-I175 HydrophobicContact CE2-CD1 4.29Å; F133-I175 HydrophobicContact CZ-CD1 4.27Å; C171-I175 WeakPolarHBondContact O-CB 3.35Å; C171-I175 WeakPolarHBondContact O-CD1 3.19Å; C171-I175 WeakPolarHBondContact O-CG1 3.29Å; C171-I175 PolarHBondContact O-N 3.45Å; I175-P178 WeakPolarHBondContact O-CD 3.47Å
176S93.4Very high92.9Very high1 Ų149.7 Ų49.71%0.00726%0.263CS..Hα-helixtrans-86.6-6.7-178.5-49.80000113.7Y122 V126 F129 A172 M173 I174 P178 S179Y122-S176 VanDerWaalsContact CD2-O 3.27Å; Y122-S176 WeakPolarHBondContact CD2-O 3.3Å; V126-S176 WeakPolarHBondContact CA-OG 3.35Å; V126-S176 PolarHBondContact N-OG 3.13Å; V126-S176 VanDerWaalsContact N-OG 3.16Å; F129-S176 WeakPolarHBondContact CD2-OG 3.24Å; A172-S176 WeakPolarHBondContact O-CB 3.33Å; A172-S176 PolarHBondContact O-N 2.89Å; A172-S176 PolarHBondContact O-OG 3.14Å; M173-S176 PolarHBondContact O-N 3.1Å; I174-S176 PolarHBondContact O-N 3.13Å; S176-P178 VanDerWaalsContact C-N 3.33Å; S176-S179 WeakPolarHBondContact O-CB 3.29Å; S176-S179 PolarHBondContact O-N 2.87Å
177I90.6Very high92.6Very high44 Ų4449.3 Ų49.323%0.22627%0.265CS..Hα-helixtrans-51.8-42-178.5-69.8173.1000113.3Y122 M173 I174 S179 L180 I181 F233Y122-I177 HydrophobicContact CE2-CG1 4.36Å; M173-I177 WeakPolarHBondContact O-CG1 3.25Å; M173-I177 PolarHBondContact O-N 3.08Å; I174-I177 WeakPolarHBondContact O-CB 3.28Å; I174-I177 WeakPolarHBondContact O-CG1 3.43Å; I174-I177 PolarHBondContact O-N 2.98Å; I177-S179 PolarHBondContact O-N 3.15Å; I177-L180 WeakPolarHBondContact O-CA 3.33Å; I177-L180 WeakPolarHBondContact O-CB 3.15Å; I177-L180 PolarHBondContact O-N 3.01Å; I177-I181 HydrophobicContact CG2-CD1 4.28Å; I177-F233 HydrophobicContact CB-CZ 4.2Å; I177-F233 HydrophobicContact CD1-CE2 4.37Å; I177-F233 HydrophobicContact CD1-CZ 4.31Å; I177-F233 HydrophobicContact CG2-CE1 4.14Å; I177-F233 HydrophobicContact CG2-CE2 4.3Å; I177-F233 HydrophobicContact CG2-CZ 3.63Å
178P90.1Very high92Very high32 Ų3247.4 Ų47.421%0.20826%0.255CS..Hα-helixtrans-54.7-38-178.6-28.937.6000113.6I175 S176 L180 I181 V182 W199 Y253I175-P178 WeakPolarHBondContact O-CD 3.47Å; S176-P178 VanDerWaalsContact C-N 3.33Å; P178-L180 PolarHBondContact O-N 3.22Å; P178-I181 WeakPolarHBondContact O-CB 3.34Å; P178-I181 PolarHBondContact O-N 3.17Å; P178-V182 WeakPolarHBondContact O-CG2 3.44Å; P178-V182 PolarHBondContact O-N 3.33Å; P178-W199 HydrophobicContact CB-CH2 4.37Å; P178-Y253 HydrophobicContact CB-CD2 4.12Å; P178-Y253 HydrophobicContact CB-CE2 3.6Å; P178-Y253 HydrophobicContact CG-CD2 4.2Å; P178-Y253 HydrophobicContact CG-CE2 3.67Å
179S87.5Confident91.5Very high8 Ų856.5 Ų56.56%0.05629%0.294CS..Hα-helixtrans-57.5-29.9174.5-54.10000113.2S176 I177 I181 C183 Y253S176-S179 WeakPolarHBondContact O-CB 3.29Å; S176-S179 PolarHBondContact O-N 2.87Å; I177-S179 PolarHBondContact O-N 3.15Å; S179-I181 VanDerWaalsContact C-N 3.26Å; S179-I181 PolarHBondContact O-N 2.95Å; S179-C183 WeakPolarHBondContact O-CB 3.36Å; S179-C183 PolarHBondContact O-N 3.39Å; S179-C183 PolarHBondContact O-SG 3.14Å; S179-Y253 PolarHBondContact OG-OH 3.16Å
180L89.5Confident90.9Very high62 Ų6258.5 Ų58.533%0.32531%0.31SS..Hα-helixtrans-70-26.6176.8-16573.6000112.3R118 L119 Y122 I177 P178R118-L180 HydrophobicContact CB-CD1 3.91Å; R118-L180 WeakPolarHBondContact CD-O 3.2Å; L119-L180 HydrophobicContact CD2-CD1 3.98Å; Y122-L180 HydrophobicContact CD2-CB 4.12Å; Y122-L180 HydrophobicContact CG-CB 4.42Å; Y122-L180 HydrophobicContact CG-CD1 4.14Å; I177-L180 WeakPolarHBondContact O-CA 3.33Å; I177-L180 WeakPolarHBondContact O-CB 3.15Å; I177-L180 PolarHBondContact O-N 3.01Å; P178-L180 PolarHBondContact O-N 3.22Å
181I87.8Confident90.5Very high64 Ų6458 Ų5833%0.32832%0.315SS..Hα-helixtrans-90.4-47.9-177.3-56.4172.4000110.2I177 P178 S179 F233I177-I181 HydrophobicContact CG2-CD1 4.28Å; P178-I181 WeakPolarHBondContact O-CB 3.34Å; P178-I181 PolarHBondContact O-N 3.17Å; S179-I181 VanDerWaalsContact C-N 3.26Å; S179-I181 PolarHBondContact O-N 2.95Å; I181-F233 HydrophobicContact CD1-CE1 4.45Å
182V87.6Confident90.2Very high14 Ų1458.6 Ų58.69%0.08531%0.314CS..Hα-helixtrans-79.5-26.2-172.7-56.30000113.3P178 Q184 E197 V198 W199P178-V182 WeakPolarHBondContact O-CG2 3.44Å; P178-V182 PolarHBondContact O-N 3.33Å; V182-Q184 PolarHBondContact O-N 3.4Å; V182-E197 HydrophobicContact CG2-CB 3.99Å; V182-E197 HydrophobicContact CG2-CG 3.94Å; V182-E197 WeakPolarHBondContact O-CA 3.46Å; V182-V198 PolarHBondContact O-N 2.89Å; V182-W199 HydrophobicContact CB-CD2 4.46Å; V182-W199 HydrophobicContact CB-CZ2 4.27Å; V182-W199 HydrophobicContact CG1-CD2 3.91Å; V182-W199 HydrophobicContact CG1-CE3 3.93Å; V182-W199 HydrophobicContact CG1-CH2 3.85Å; V182-W199 HydrophobicContact CG1-CZ2 3.82Å; V182-W199 HydrophobicContact CG1-CZ3 3.92Å; V182-W199 HydrophobicContact CG2-CZ2 3.83Å
183C90.1Very high90Very high1 Ų160.5 Ų60.51%0.00733%0.326CS..EExtended strand (participates in β ladder)trans-74.5124.7178.6-700000111.2R118 N121 S179 Q196R118-C183 WeakPolarHBondContact CG-O 3.3Å; R118-C183 PolarHBondContact NE-O 2.99Å; N121-C183 HydrophobicContact CB-CB 4.4Å; N121-C183 VanDerWaalsContact CB-SG 3.57Å; S179-C183 WeakPolarHBondContact O-CB 3.36Å; S179-C183 PolarHBondContact O-N 3.39Å; S179-C183 PolarHBondContact O-SG 3.14Å; C183-Q196 WeakPolarHBondContact CA-O 3.47Å
184Q90.2Very high89.7Confident47 Ų4759.2 Ų59.222%0.2232%0.319CS..EExtended strand (participates in β ladder)trans-148.116717761.8-179.28.700112.3C117 V182 C195 Q196 V198C117-Q184 VanDerWaalsContact SG-C 3.54Å; V182-Q184 PolarHBondContact O-N 3.4Å; Q184-C195 WeakPolarHBondContact O-CA 3.41Å; Q184-Q196 PolarHBondContact N-O 2.96Å; Q184-Q196 PolarHBondContact O-N 3.49Å; Q184-V198 HydrophobicContact CG-CB 4.23Å; Q184-V198 HydrophobicContact CG-CG2 3.83Å; Q184-V198 VanDerWaalsContact NE2-CB 3.33Å; Q184-V198 VanDerWaalsContact NE2-CG2 3.31Å
185I91.5Very high89.5Confident57 Ų5755.5 Ų55.529%0.29230%0.302SS..EExtended strand (participates in β ladder)trans-81.7127.5174.2-69.5-179.5000109.2G114 C117 T193 H194G114-I185 VanDerWaalsContact N-CD1 3.29Å; C117-I185 HydrophobicContact CB-CG1 4.16Å; I185-T193 HydrophobicContact CG2-CG2 3.59Å; I185-H194 CarbonylContact C-O 3.46Å; I185-H194 WeakPolarHBondContact CA-O 3.42Å
186I89.8Confident89.3Confident60 Ų6057.9 Ų57.931%0.30831%0.312SS..EExtended strand (participates in β ladder)trans-113.7139.3169.7-52.8179000107.5T193 H194 Q196 V198I186-T193 CarbonylContact O-C 3.15Å; I186-T193 WeakPolarHBondContact O-CA 3.27Å; I186-H194 PolarHBondContact N-O 3.35Å; I186-H194 PolarHBondContact O-N 2.92Å; I186-Q196 HydrophobicContact CD1-CB 3.94Å; I186-V198 HydrophobicContact CD1-CG2 3.46Å; I186-V198 VanDerWaalsContact CD1-CG2 3.46Å; I186-V198 HydrophobicContact CG1-CG2 4.15Å
187V90.4Very high88.9Confident94 Ų9461 Ų6157%0.5733%0.326SS*.EExtended strand (participates in β ladder)trans-98.9122.1176.2-175.20000108.2L192 T193V187-L192 WeakPolarHBondContact CA-O 3.5Å; V187-T193 HydrophobicContact CG2-CG2 4.23Å
188D84.8Confident88.6Confident71 Ų7160.8 Ų60.838%0.3833%0.327SS..  trans-77.5171.1174.8-165.713.5000111.1D190 G191 L192D188-D190 PolarHBondContact O-N 2.68Å; D188-D190 VanDerWaalsContact O-N 3.1Å; D188-G191 PolarHBondContact O-N 2.73Å; D188-L192 PolarHBondContact N-O 3.38Å
189K86.8Confident88Confident204 Ų20462.4 Ų62.489%0.88733%0.329SS*.THydrogen-bonded Turntrans-55.9-28.3-178.2-62.4-177.6-177.5-178.60113.7G191K189-G191 VanDerWaalsContact C-N 3.27Å; K189-G191 PolarHBondContact O-N 3.48Å
190D86Confident87Confident113 Ų11364.1 Ų64.160%0.60434%0.341SS*.THydrogen-bonded Turntrans-83.72178.4-65.3-25000113.1D188 L192D188-D190 PolarHBondContact O-N 2.68Å; D188-D190 VanDerWaalsContact O-N 3.1Å; D190-L192 VanDerWaalsContact C-N 3.26Å; D190-L192 HydrophobicContact CB-CG 4.47Å; D190-L192 PolarHBondContact O-N 3.1Å
191G88.5Confident85.3Confident52 Ų5266.7 Ų66.754%0.53635%0.352SS..SBendtrans79.83.3-176.400000114.3D188 K189D188-G191 PolarHBondContact O-N 2.73Å; K189-G191 VanDerWaalsContact C-N 3.27Å; K189-G191 PolarHBondContact O-N 3.48Å
192L90.4Very high83.5Confident72 Ų7268.4 Ų68.438%0.37737%0.365SS..  trans-78.9140.5176.4-65.4176.3000111.1Y109 V187 D188 D190Y109-L192 HydrophobicContact CD1-CD2 4.16Å; Y109-L192 HydrophobicContact CG-CD2 4.13Å; V187-L192 WeakPolarHBondContact CA-O 3.5Å; D188-L192 PolarHBondContact N-O 3.38Å; D190-L192 VanDerWaalsContact C-N 3.26Å; D190-L192 HydrophobicContact CB-CG 4.47Å; D190-L192 PolarHBondContact O-N 3.1Å
193T92.5Very high81.7Confident40 Ų4072.2 Ų72.225%0.24538%0.381CS..EExtended strand (participates in β ladder)trans-89.9134.5179.945.60000111Y109 W110 I185 I186 V187Y109-T193 CarbonylContact C-O 3.58Å; Y109-T193 WeakPolarHBondContact CA-O 3.24Å; Y109-T193 WeakPolarHBondContact CB-O 3.47Å; W110-T193 PolarHBondContact N-O 3.42Å; W110-T193 PolarHBondContact O-OG1 3.21Å; I185-T193 HydrophobicContact CG2-CG2 3.59Å; I186-T193 CarbonylContact O-C 3.15Å; I186-T193 WeakPolarHBondContact O-CA 3.27Å; V187-T193 HydrophobicContact CG2-CG2 4.23Å
194H89.6Confident79.8Confident46 Ų4675.4 Ų75.421%0.21340%0.396CS..EExtended strand (participates in β ladder)trans-123.1142.9172.1-64.9-85.2000109.8I108 I185 I186 Q196I108-H194 PolarHBondContact O-CE1 3.23Å; I108-H194 VanDerWaalsContact O-CE1 3.27Å; I185-H194 CarbonylContact C-O 3.46Å; I185-H194 WeakPolarHBondContact CA-O 3.42Å; I186-H194 PolarHBondContact N-O 3.35Å; I186-H194 PolarHBondContact O-N 2.92Å; H194-Q196 HydrophobicContact CB-CG 4.33Å
195C91.5Very high77.4Confident27 Ų2777.8 Ų77.818%0.18241%0.41CS..EExtended strand (participates in β ladder)trans-96.7112173.3-178.80000108.7W110 C117 N121 Q184W110-C195 HydrophobicContact CB-CB 4.21Å; W110-C195 HydrophobicContact CD2-CB 3.69Å; W110-C195 HydrophobicContact CE3-CB 3.77Å; W110-C195 HydrophobicContact CG-CB 3.85Å; W110-C195 HydrophobicContact CZ3-CB 4.48Å; C117-C195 VanDerWaalsContact C-SG 3.54Å; C117-C195 WeakPolarHBondContact CA-SG 3.4Å; C117-C195 HydrophobicContact CB-CB 3.75Å; C117-C195 WeakPolarHBondContact CB-SG 3.32Å; C117-C195 PolarHBondContact O-SG 3.25Å; C117-C195 VanDerWaalsContact O-SG 3.35Å; C117-C195 VanDerWaalsContact SG-CA 3.6Å; C117-C195 WeakPolarHBondContact SG-CB 3.18Å; C117-C195 CovalentContact SG-SG 2.02Å; C117-C195 PolarHBondContact SG-SG 2.93Å; N121-C195 PolarHBondContact ND2-SG 2.9Å; Q184-C195 WeakPolarHBondContact O-CA 3.41Å
196Q87.1Confident75.2Confident106 Ų10679 Ų7950%0.49542%0.421SS..EExtended strand (participates in β ladder)trans-137.9156.9-175.6-68.4180-16.900110.6C183 Q184 I186 H194C183-Q196 WeakPolarHBondContact CA-O 3.47Å; Q184-Q196 PolarHBondContact N-O 2.96Å; Q184-Q196 PolarHBondContact O-N 3.49Å; I186-Q196 HydrophobicContact CD1-CB 3.94Å; H194-Q196 HydrophobicContact CB-CG 4.33Å
197E85.5Confident73Confident66 Ų6679 Ų7931%0.30842%0.424SS..EExtended strand (participates in β ladder)trans-78.2129.5172.9-59.5-174.5178.200109.9V182 W199V182-E197 HydrophobicContact CG2-CB 3.99Å; V182-E197 HydrophobicContact CG2-CG 3.94Å; V182-E197 WeakPolarHBondContact O-CA 3.46Å; E197-W199 PolarHBondContact OE2-NE1 2.88Å; E197-W199 VanDerWaalsContact OE2-NE1 3.11Å
198V84.3Confident70.8Confident40 Ų4078 Ų7824%0.24242%0.418CS..  trans-122.5110.1176.9-178.30000110V182 Q184 I186 S200V182-V198 PolarHBondContact O-N 2.89Å; Q184-V198 HydrophobicContact CG-CB 4.23Å; Q184-V198 HydrophobicContact CG-CG2 3.83Å; Q184-V198 VanDerWaalsContact NE2-CB 3.33Å; Q184-V198 VanDerWaalsContact NE2-CG2 3.31Å; I186-V198 HydrophobicContact CD1-CG2 3.46Å; I186-V198 VanDerWaalsContact CD1-CG2 3.46Å; I186-V198 HydrophobicContact CG1-CG2 4.15Å; V198-S200 PolarHBondContact O-N 2.9Å
199W76.9Confident68.6Low66 Ų6680.8 Ų80.825%0.2543%0.431CS..  trans-101.359.6-176.9-66.392.7000111.8P178 V182 E197 L249 E250 Y253P178-W199 HydrophobicContact CB-CH2 4.37Å; V182-W199 HydrophobicContact CB-CD2 4.46Å; V182-W199 HydrophobicContact CB-CZ2 4.27Å; V182-W199 HydrophobicContact CG1-CD2 3.91Å; V182-W199 HydrophobicContact CG1-CE3 3.93Å; V182-W199 HydrophobicContact CG1-CH2 3.85Å; V182-W199 HydrophobicContact CG1-CZ2 3.82Å; V182-W199 HydrophobicContact CG1-CZ3 3.92Å; V182-W199 HydrophobicContact CG2-CZ2 3.83Å; E197-W199 PolarHBondContact OE2-NE1 2.88Å; E197-W199 VanDerWaalsContact OE2-NE1 3.11Å; W199-L249 HydrophobicContact CE3-CB 4.19Å; W199-L249 HydrophobicContact CZ3-CB 4.37Å; W199-E250 HydrophobicContact CB-CB 3.89Å; W199-E250 HydrophobicContact CD2-CB 3.79Å; W199-E250 HydrophobicContact CD2-CG 4.29Å; W199-E250 HydrophobicContact CE3-CB 4.39Å; W199-E250 HydrophobicContact CG-CB 3.53Å; W199-E250 HydrophobicContact CG-CG 3.91Å; W199-Y253 AromaticContact CH2-CD1 3.42Å; W199-Y253 HydrophobicContact CH2-CD1 3.42Å; W199-Y253 VanDerWaalsContact CH2-CD1 3.42Å; W199-Y253 HydrophobicContact CH2-CD2 4.13Å; W199-Y253 HydrophobicContact CH2-CE1 4.06Å; W199-Y253 AromaticContact CH2-CG 3.42Å; W199-Y253 HydrophobicContact CH2-CG 3.42Å; W199-Y253 VanDerWaalsContact CH2-CG 3.42Å; W199-Y253 AromaticContact CZ2-CD1 3.2Å; W199-Y253 HydrophobicContact CZ2-CD1 3.2Å; W199-Y253 AromaticContact CZ2-CE1 3.74Å; W199-Y253 HydrophobicContact CZ2-CE1 3.74Å; W199-Y253 AromaticContact CZ2-CG 3.74Å; W199-Y253 HydrophobicContact CZ2-CG 3.74Å; W199-Y253 HydrophobicContact CZ3-CG 4.47Å
200S67Low66.4Low44 Ų4474.6 Ų74.631%0.30841%0.41SS..  trans-105.3133.5177.7169.70000112.3V198 T202 F203V198-S200 PolarHBondContact O-N 2.9Å; S200-T202 PolarHBondContact O-N 3.28Å; S200-T202 PolarHBondContact OG-OG1 3.01Å; S200-F203 PolarHBondContact O-N 2.87Å
201E54.2Low64.1Low117 Ų11774 Ų7455%0.54741%0.407SS..Hα-helixtrans-55.9-31.5-179.9-69.4176.9-159.400113.1F203 N242E201-F203 PolarHBondContact O-N 3.49Å; E201-N242 PolarHBondContact OE1-ND2 2.99Å; E201-N242 PolarHBondContact OE2-ND2 3.12Å
202T49.3Very low61.8Low100 Ų10078.1 Ų78.161%0.61342%0.417SS*.Hα-helixtrans-65.9-25.4-176.1-31.50000112.4S200 T206S200-T202 PolarHBondContact O-N 3.28Å; S200-T202 PolarHBondContact OG-OG1 3.01Å; T202-T206 PolarHBondContact O-OG1 2.85Å
203F49.3Very low59.1Low93 Ų9379 Ų7941%0.40843%0.429SS..Hα-helixtrans-93-25.6-173.2-72.9-81.7000114.2S200 E201 N205 T206 T207S200-F203 PolarHBondContact O-N 2.87Å; E201-F203 PolarHBondContact O-N 3.49Å; F203-N205 PolarHBondContact O-N 3.02Å; F203-T206 PolarHBondContact O-N 3.02Å; F203-T207 PolarHBondContact O-N 3.21Å; F203-T207 PolarHBondContact O-OG1 3.05Å
204M49.7Very low56.5Low69 Ų6984.7 Ų84.734%0.3445%0.45SS..Hα-helixtrans-64.4-21.2173.8-69.7-145.2-73.300112.6T208 F238 L249M204-T208 PolarHBondContact O-OG1 2.68Å; M204-F238 HydrophobicContact CE-CD1 4.22Å; M204-F238 HydrophobicContact CE-CG 4.49Å; M204-L249 HydrophobicContact CE-CD1 3.47Å; M204-L249 VanDerWaalsContact CE-CD1 3.47Å
205N41.4Very low54Low96 Ų9685.6 Ų85.651%0.51346%0.462SS..THydrogen-bonded Turntrans-89.8-18.8177.3-73.3-13.7000114.7F203F203-N205 PolarHBondContact O-N 3.02Å
206T44.1Very low51.1Low84 Ų8491.8 Ų91.852%0.51549%0.493SS..THydrogen-bonded Turntrans-109.9-25.5-171.6200000115.2T202 F203T202-T206 PolarHBondContact O-OG1 2.85Å; F203-T206 PolarHBondContact O-N 3.02Å
207T44.2Very low48.8Very low59 Ų5994 Ų9436%0.36250%0.501SS..SBendtrans-99.80.4-172.833.50000117.1F203F203-T207 PolarHBondContact O-N 3.21Å; F203-T207 PolarHBondContact O-OG1 3.05Å
208T43.6Very low46.3Very low74 Ų7495 Ų9545%0.45452%0.515SS..SBendtrans-102.9-7.7-179.235.50000115.2M204M204-T208 PolarHBondContact O-OG1 2.68Å
209I40Very low44.1Very low128 Ų128103 Ų10366%0.65654%0.543SS*.SBendtrans-109.7-23.7-179.6-58.5-179.6000112.8S213I209-S213 WeakPolarHBondContact O-CB 3.29Å; I209-S213 PolarHBondContact O-OG 3.01Å
210V39.2Very low42.1Very low74 Ų74105.3 Ų105.345%0.44856%0.559SS.*SBendtrans-100-25.2-165.9-175.90000114.8S213V210-S213 PolarHBondContact O-OG 3.48Å
211D38.7Very low40.8Very low101 Ų101109.3 Ų109.354%0.5458%0.582SS.*SBendtrans-105.1-17.2-174.6-73.7-23.5000115.3
212L38.9Very low39.8Very low139 Ų139112.1 Ų112.173%0.72860%0.601SS**SBendtrans-92.4-15.3169.9-82156.9000113K214 S215L212-K214 VanDerWaalsContact C-N 3.32Å; L212-S215 PolarHBondContact O-OG 2.66Å
213S33.7Very low39.6Very low90 Ų90109.3 Ų109.363%0.62959%0.592SS**THydrogen-bonded Turntrans-80.3-12.6171.963.70000113.2I209 V210I209-S213 WeakPolarHBondContact O-CB 3.29Å; I209-S213 PolarHBondContact O-OG 3.01Å; V210-S213 PolarHBondContact O-OG 3.48Å
214K37.7Very low39.5Very low159 Ų159110 Ų11069%0.69161%0.608SS**THydrogen-bonded Turntrans-92.1-3.3177.5-77.3179.4-179.8169.60114.9L212L212-K214 VanDerWaalsContact C-N 3.32Å
215S38.1Very low39.2Very low66 Ų66113.5 Ų113.546%0.46263%0.628SS.*SBendtrans-100.1116.1169.6590000110.3L212 F217L212-S215 PolarHBondContact O-OG 2.66Å; S215-F217 PolarHBondContact O-N 2.96Å
216N30.8Very low39.4Very low156 Ų156113.5 Ų113.583%0.83463%0.631SS**  trans-60.867174.9-74.9-33.4000113.2
217F38.9Very low39.3Very low152 Ų152115.9 Ų115.967%0.66764%0.636SS**  trans-116.348.3174-153.5-95.5000111.1S215 L220S215-F217 PolarHBondContact O-N 2.96Å; F217-L220 HydrophobicContact CE1-CB 3.98Å; F217-L220 HydrophobicContact CZ-CB 3.77Å
218S33.4Very low39.1Very low88 Ų88119.9 Ų119.962%0.61565%0.649SS**  trans-95.29.2178.640.20000114
219Y37.1Very low39.1Very low208 Ų208119.1 Ų119.182%0.81665%0.647SS**SBendtrans-123.95.5-174.2-61.8-72.6000116.5
220L35.4Very low39.3Very low115 Ų115117.9 Ų117.960%0.60264%0.64SS**SBendtrans-133.1108.4178-95.2107000113.6F217F217-L220 HydrophobicContact CE1-CB 3.98Å; F217-L220 HydrophobicContact CZ-CB 3.77Å
221T39Very low39.6Very low127 Ų127117.4 Ų117.478%0.77964%0.64SS**  trans98.1112144.769.20000118.8G223T221-G223 PolarHBondContact O-N 2.9Å
222N33.4Very low40Very low176 Ų176118 Ų11894%0.94164%0.643SS**  trans-52.3123160.7-64-32.5000110.6
223G45Very low40.5Very low42 Ų42115.6 Ų115.643%0.43363%0.627SS.*  trans-168.796.6175.800000113.2T221 L225 V226T221-G223 PolarHBondContact O-N 2.9Å; G223-L225 PolarHBondContact O-N 3.43Å; G223-V226 PolarHBondContact O-N 2.98Å
224S48.3Very low40.8Very low106 Ų106115 Ų11574%0.74162%0.616SS**Hα-helixtrans-51.6-15.3172.739.50000115.1F228S224-F228 PolarHBondContact O-N 3.3Å
225L43.4Very low41.2Very low144 Ų144109.8 Ų109.875%0.75460%0.599SS**Hα-helixtrans-78.6-27.6176.4-70.7169.2000113.8G223 S229G223-L225 PolarHBondContact O-N 3.43Å; L225-S229 PolarHBondContact O-N 3.4Å; L225-S229 PolarHBondContact O-OG 2.98Å
226V45.7Very low41.5Very low95 Ų95114.2 Ų114.258%0.57661%0.609SS**Hα-helixtrans-76.7-38175.7-1780000109.8G223 F228 S229 I230G223-V226 PolarHBondContact O-N 2.98Å; V226-F228 VanDerWaalsContact C-N 3.33Å; V226-F228 PolarHBondContact O-N 2.69Å; V226-S229 WeakPolarHBondContact O-CB 3.44Å; V226-S229 PolarHBondContact O-N 2.89Å; V226-I230 HydrophobicContact CG1-CD1 3.89Å; V226-I230 VanDerWaalsContact O-CG1 3.29Å; V226-I230 WeakPolarHBondContact O-CG1 3.19Å; V226-I230 PolarHBondContact O-N 2.93Å
227Q40.6Very low42.3Very low135 Ų135111.6 Ų111.663%0.63160%0.599SS**Hα-helixtrans-61.5-38.3175.1-152.778.90.300112.6I230 S231Q227-I230 PolarHBondContact O-N 3.49Å; Q227-S231 PolarHBondContact O-N 3.46Å; Q227-S231 PolarHBondContact O-OG 3.42Å
228F41.2Very low42.8Very low142 Ų142108.4 Ų108.462%0.62359%0.585SS**Hα-helixtrans-68-38.1178.7-159.6-97.3000112.1S224 V226 S231 L232S224-F228 PolarHBondContact O-N 3.3Å; V226-F228 VanDerWaalsContact C-N 3.33Å; V226-F228 PolarHBondContact O-N 2.69Å; F228-S231 WeakPolarHBondContact CA-OG 3.38Å; F228-S231 PolarHBondContact O-N 3.34Å; F228-S231 PolarHBondContact O-OG 3.47Å; F228-L232 HydrophobicContact CD1-CD1 4.48Å; F228-L232 HydrophobicContact CE1-CD1 4.1Å; F228-L232 PolarHBondContact O-N 3.29Å
229S43.3Very low43.3Very low59 Ų59110.8 Ų110.841%0.41359%0.586SS.*Hα-helixtrans-60.6-48.7171.2-45.50000110.1L225 V226 S231 L232 F233L225-S229 PolarHBondContact O-N 3.4Å; L225-S229 PolarHBondContact O-OG 2.98Å; V226-S229 WeakPolarHBondContact O-CB 3.44Å; V226-S229 PolarHBondContact O-N 2.89Å; S229-S231 VanDerWaalsContact C-N 3.34Å; S229-S231 PolarHBondContact O-N 3.48Å; S229-L232 PolarHBondContact O-N 2.95Å; S229-F233 WeakPolarHBondContact O-CD2 3.02Å
230I44.7Very low43.7Very low102 Ų102109.5 Ų109.552%0.52359%0.588SS.*Hα-helixtrans-63.3-36.4-178.8-66.3165.3000112.2V226 Q227 L232 F233V226-I230 HydrophobicContact CG1-CD1 3.89Å; V226-I230 VanDerWaalsContact O-CG1 3.29Å; V226-I230 WeakPolarHBondContact O-CG1 3.19Å; V226-I230 PolarHBondContact O-N 2.93Å; Q227-I230 PolarHBondContact O-N 3.49Å; I230-L232 PolarHBondContact O-N 2.95Å; I230-F233 PolarHBondContact O-N 3.44Å
231S44.4Very low44.4Very low63 Ų63111.9 Ų111.944%0.44159%0.594SS.*Hα-helixtrans-69.5-27.7178.155.50000114.4Q227 F228 S229 F233Q227-S231 PolarHBondContact O-N 3.46Å; Q227-S231 PolarHBondContact O-OG 3.42Å; F228-S231 WeakPolarHBondContact CA-OG 3.38Å; F228-S231 PolarHBondContact O-N 3.34Å; F228-S231 PolarHBondContact O-OG 3.47Å; S229-S231 VanDerWaalsContact C-N 3.34Å; S229-S231 PolarHBondContact O-N 3.48Å; S231-F233 VanDerWaalsContact C-N 3.26Å; S231-F233 PolarHBondContact O-N 2.99Å
232L46.3Very low44.3Very low114 Ų114108.4 Ų108.460%0.59757%0.57SS**Hα-helixtrans-73.4-20.7175.2-121.5103.4000112.5F228 S229 I230F228-L232 HydrophobicContact CD1-CD1 4.48Å; F228-L232 HydrophobicContact CE1-CD1 4.1Å; F228-L232 PolarHBondContact O-N 3.29Å; S229-L232 PolarHBondContact O-N 2.95Å; I230-L232 PolarHBondContact O-N 2.95Å
233F50.3Low44.7Very low89 Ų89107.2 Ų107.239%0.3956%0.564SS.*THydrogen-bonded Turntrans-101.419-179-69.7-70.8000112.9I177 I181 S229 I230 S231 P235I177-F233 HydrophobicContact CB-CZ 4.2Å; I177-F233 HydrophobicContact CD1-CE2 4.37Å; I177-F233 HydrophobicContact CD1-CZ 4.31Å; I177-F233 HydrophobicContact CG2-CE1 4.14Å; I177-F233 HydrophobicContact CG2-CE2 4.3Å; I177-F233 HydrophobicContact CG2-CZ 3.63Å; I181-F233 HydrophobicContact CD1-CE1 4.45Å; S229-F233 WeakPolarHBondContact O-CD2 3.02Å; I230-F233 PolarHBondContact O-N 3.44Å; S231-F233 VanDerWaalsContact C-N 3.26Å; S231-F233 PolarHBondContact O-N 2.99Å; F233-P235 WeakPolarHBondContact O-CD 3.24Å
234N40.9Very low44.6Very low78 Ų78110.5 Ų110.542%0.41758%0.58SS.*  trans-71.7117.4177.6-163.1-14.2000109.7K236 V237N234-K236 PolarHBondContact O-N 2.69Å; N234-V237 HydrophobicContact CB-CG2 4.48Å; N234-V237 PolarHBondContact O-N 2.79Å
235P45.6Very low44.6Very low49 Ų49113 Ų11332%0.31859%0.585SS.*Hα-helixtrans-58.4-23.3-175.520.3-31.7000113.2F233 V237 F238 E239F233-P235 WeakPolarHBondContact O-CD 3.24Å; P235-V237 VanDerWaalsContact C-N 3.31Å; P235-V237 PolarHBondContact O-N 2.9Å; P235-F238 WeakPolarHBondContact O-CB 3.48Å; P235-F238 PolarHBondContact O-N 3.18Å; P235-E239 PolarHBondContact O-N 2.84Å
236K43.8Very low44.9Very low158 Ų158110.5 Ų110.569%0.68757%0.57SS**Hα-helixtrans-67.3-23.2175.5-70.6-172.1174.6-173.70115N234 F238N234-K236 PolarHBondContact O-N 2.69Å; K236-F238 VanDerWaalsContact C-N 3.28Å
237V47.6Very low45.6Very low102 Ų102111 Ų11162%0.61857%0.568SS**Hα-helixtrans-76.7-22.5172.5176.60000110.9N234 P235N234-V237 HydrophobicContact CB-CG2 4.48Å; N234-V237 PolarHBondContact O-N 2.79Å; P235-V237 VanDerWaalsContact C-N 3.31Å; P235-V237 PolarHBondContact O-N 2.9Å
238F48.5Very low47.2Very low85 Ų85108 Ų10837%0.37356%0.562SS.*Hα-helixtrans-88.6-19.6179.8-84.4-91.6000113.5M204 P235 K236 E240 L249M204-F238 HydrophobicContact CE-CD1 4.22Å; M204-F238 HydrophobicContact CE-CG 4.49Å; P235-F238 WeakPolarHBondContact O-CB 3.48Å; P235-F238 PolarHBondContact O-N 3.18Å; K236-F238 VanDerWaalsContact C-N 3.28Å; F238-E240 VanDerWaalsContact C-N 3.3Å; F238-E240 PolarHBondContact O-N 3.28Å; F238-L249 HydrophobicContact CD1-CD1 4.02Å; F238-L249 HydrophobicContact CD1-CD2 3.98Å; F238-L249 HydrophobicContact CE1-CD1 4.45Å; F238-L249 HydrophobicContact CE1-CD2 3.94Å
239E44.5Very low48.9Very low137 Ų137104 Ų10464%0.6455%0.547SS*.G310 helixtrans-73.5-18.2-176.6-136.8168.5-168.200113.3P235 F241P235-E239 PolarHBondContact O-N 2.84Å; E239-F241 PolarHBondContact O-N 3.22Å
240E46.5Very low50.6Low182 Ų182104.5 Ų104.585%0.8554%0.543SS*.G310 helixtrans-87.40.1-173.1-133171.9-160.700114.6F238F238-E240 VanDerWaalsContact C-N 3.3Å; F238-E240 PolarHBondContact O-N 3.28Å
241F50Low52.3Low165 Ų165102.2 Ų102.272%0.72453%0.531SS*.G310 helixtrans-104.47.4-172.3-135-96.3000115.2E239E239-F241 PolarHBondContact O-N 3.22Å
242N37.4Very low54.2Low54 Ų54102 Ų10229%0.28952%0.524SS..  trans-10931.9-160.7-112.420000115.8E201 Q246E201-N242 PolarHBondContact OE1-ND2 2.99Å; E201-N242 PolarHBondContact OE2-ND2 3.12Å; N242-Q246 VanDerWaalsContact CA-NE2 3.29Å; N242-Q246 HydrophobicContact CB-CG 4.41Å; N242-Q246 PolarHBondContact ND2-NE2 2.64Å; N242-Q246 VanDerWaalsContact ND2-NE2 3.14Å; N242-Q246 PolarHBondContact O-NE2 3.37Å; N242-Q246 VanDerWaalsContact OD1-CG 3.32Å; N242-Q246 WeakPolarHBondContact OD1-CG 3.31Å; N242-Q246 PolarHBondContact OD1-NE2 3.02Å; N242-Q246 PolarHBondContact OD1-OE1 3.2Å
243D41.8Very low56Low151 Ų15197.6 Ų97.681%0.80750%0.5SS*.SBendtrans-105.3116.4173.6-99.5-31.9000113.5N245D243-N245 PolarHBondContact O-N 2.85Å; D243-N245 VanDerWaalsContact O-N 3.09Å
244S42.2Very low57.6Low111 Ų11194 Ų9478%0.77649%0.485SS*.SBendtrans61.97.8150.365.70000122.7
245N47.1Very low59.9Low157 Ų15796.1 Ų96.184%0.8449%0.487SS*.SBendtrans-152.340.5162.3-96.9-26.6000111D243 I247D243-N245 PolarHBondContact O-N 2.85Å; D243-N245 VanDerWaalsContact O-N 3.09Å; N245-I247 PolarHBondContact O-N 2.66Å
246Q50.3Low62Low92 Ų9297.7 Ų97.743%0.4349%0.492SS..  trans-62.7104.8-164.2-80.6174.89.700113.5N242 S248N242-Q246 VanDerWaalsContact CA-NE2 3.29Å; N242-Q246 HydrophobicContact CB-CG 4.41Å; N242-Q246 PolarHBondContact ND2-NE2 2.64Å; N242-Q246 VanDerWaalsContact ND2-NE2 3.14Å; N242-Q246 PolarHBondContact O-NE2 3.37Å; N242-Q246 VanDerWaalsContact OD1-CG 3.32Å; N242-Q246 WeakPolarHBondContact OD1-CG 3.31Å; N242-Q246 PolarHBondContact OD1-NE2 3.02Å; N242-Q246 PolarHBondContact OD1-OE1 3.2Å; Q246-S248 PolarHBondContact O-N 2.96Å
247I60.8Low64.2Low107 Ų10791.4 Ų91.455%0.54947%0.466SS..  trans-62.4114.9153.5-62.1173.9000106.3N245 L251 I252N245-I247 PolarHBondContact O-N 2.66Å; I247-L251 HydrophobicContact CG2-CB 4.1Å; I247-L251 HydrophobicContact CG2-CD2 3.9Å; I247-L251 HydrophobicContact CG2-CG 4.12Å; I247-I252 HydrophobicContact CB-CG1 4.38Å; I247-I252 HydrophobicContact CG2-CD1 4.14Å; I247-I252 HydrophobicContact CG2-CG1 3.49Å; I247-I252 VanDerWaalsContact CG2-CG1 3.49Å
248S73.7Confident66.3Low70 Ų7087.4 Ų87.449%0.4944%0.441SS..  trans-56.7140.1179.4-48.90000110.8Q246 E250 L251 I252Q246-S248 PolarHBondContact O-N 2.96Å; S248-E250 PolarHBondContact O-N 3.47Å; S248-E250 VanDerWaalsContact O-N 3.12Å; S248-L251 WeakPolarHBondContact O-CA 3.48Å; S248-L251 WeakPolarHBondContact O-CB 3.43Å; S248-L251 PolarHBondContact O-N 3.44Å; S248-I252 PolarHBondContact O-N 3.38Å; S248-I252 VanDerWaalsContact O-N 3.14Å
249L77.6Confident68.4Low60 Ų6086.8 Ų86.831%0.31444%0.441SS..Hα-helixtrans-52.4-35.4176.4-74.8170.7000112.6W199 M204 F238 L251 I252 Y253W199-L249 HydrophobicContact CE3-CB 4.19Å; W199-L249 HydrophobicContact CZ3-CB 4.37Å; M204-L249 HydrophobicContact CE-CD1 3.47Å; M204-L249 VanDerWaalsContact CE-CD1 3.47Å; F238-L249 HydrophobicContact CD1-CD1 4.02Å; F238-L249 HydrophobicContact CD1-CD2 3.98Å; F238-L249 HydrophobicContact CE1-CD1 4.45Å; F238-L249 HydrophobicContact CE1-CD2 3.94Å; L249-L251 VanDerWaalsContact C-N 3.35Å; L249-L251 PolarHBondContact O-N 3.35Å; L249-I252 PolarHBondContact O-N 3.05Å; L249-Y253 WeakPolarHBondContact O-CB 3.33Å; L249-Y253 PolarHBondContact O-N 3.45Å
250E79.3Confident70.7Confident69 Ų6983.9 Ų83.932%0.32243%0.427SS..Hα-helixtrans-52.2-50.8170.1-179.6174.9170.900112.1W199 S248 I252 Y253 N254W199-E250 HydrophobicContact CB-CB 3.89Å; W199-E250 HydrophobicContact CD2-CB 3.79Å; W199-E250 HydrophobicContact CD2-CG 4.29Å; W199-E250 HydrophobicContact CE3-CB 4.39Å; W199-E250 HydrophobicContact CG-CB 3.53Å; W199-E250 HydrophobicContact CG-CG 3.91Å; S248-E250 PolarHBondContact O-N 3.47Å; S248-E250 VanDerWaalsContact O-N 3.12Å; E250-I252 PolarHBondContact O-N 2.85Å; E250-Y253 PolarHBondContact O-N 2.94Å; E250-N254 WeakPolarHBondContact CG-ND2 3.24Å; E250-N254 WeakPolarHBondContact O-CB 3.45Å; E250-N254 VanDerWaalsContact O-CG 3.29Å; E250-N254 PolarHBondContact O-N 3.37Å; E250-N254 PolarHBondContact O-ND2 2.86Å; E250-N254 VanDerWaalsContact O-ND2 3.1Å
251L79.8Confident72.9Confident53 Ų5375.6 Ų75.628%0.27739%0.388SS..Hα-helixtrans-64.9-42.9-177.9-17559.5000110.7I247 S248 L249 N254 W255I247-L251 HydrophobicContact CG2-CB 4.1Å; I247-L251 HydrophobicContact CG2-CD2 3.9Å; I247-L251 HydrophobicContact CG2-CG 4.12Å; S248-L251 WeakPolarHBondContact O-CA 3.48Å; S248-L251 WeakPolarHBondContact O-CB 3.43Å; S248-L251 PolarHBondContact O-N 3.44Å; L249-L251 VanDerWaalsContact C-N 3.35Å; L249-L251 PolarHBondContact O-N 3.35Å; L251-N254 PolarHBondContact O-N 2.92Å; L251-W255 PolarHBondContact O-N 3.17Å
252I83.7Confident75Confident59 Ų5969 Ų6930%0.30336%0.358SS..Hα-helixtrans-59.5-50.8175.2-60.6177.4000110I247 S248 L249 E250 N254 W255 L256I247-I252 HydrophobicContact CB-CG1 4.38Å; I247-I252 HydrophobicContact CG2-CD1 4.14Å; I247-I252 HydrophobicContact CG2-CG1 3.49Å; I247-I252 VanDerWaalsContact CG2-CG1 3.49Å; S248-I252 PolarHBondContact O-N 3.38Å; S248-I252 VanDerWaalsContact O-N 3.14Å; L249-I252 PolarHBondContact O-N 3.05Å; E250-I252 PolarHBondContact O-N 2.85Å; I252-N254 VanDerWaalsContact C-N 3.35Å; I252-N254 PolarHBondContact O-N 3Å; I252-W255 PolarHBondContact O-N 3.34Å; I252-L256 HydrophobicContact CG2-CD1 3.87Å; I252-L256 HydrophobicContact CG2-CG 4.34Å; I252-L256 VanDerWaalsContact O-CG 3.26Å; I252-L256 WeakPolarHBondContact O-CG 3.43Å; I252-L256 PolarHBondContact O-N 3.36Å
253Y85Confident77.7Confident22 Ų2270.4 Ų70.49%0.08637%0.365CS..Hα-helixtrans-59.3-45.1-179.7178.4-110.9000112.1P178 S179 W199 L249 E250 L256 I257P178-Y253 HydrophobicContact CB-CD2 4.12Å; P178-Y253 HydrophobicContact CB-CE2 3.6Å; P178-Y253 HydrophobicContact CG-CD2 4.2Å; P178-Y253 HydrophobicContact CG-CE2 3.67Å; S179-Y253 PolarHBondContact OG-OH 3.16Å; W199-Y253 AromaticContact CH2-CD1 3.42Å; W199-Y253 HydrophobicContact CH2-CD1 3.42Å; W199-Y253 VanDerWaalsContact CH2-CD1 3.42Å; W199-Y253 HydrophobicContact CH2-CD2 4.13Å; W199-Y253 HydrophobicContact CH2-CE1 4.06Å; W199-Y253 AromaticContact CH2-CG 3.42Å; W199-Y253 HydrophobicContact CH2-CG 3.42Å; W199-Y253 VanDerWaalsContact CH2-CG 3.42Å; W199-Y253 AromaticContact CZ2-CD1 3.2Å; W199-Y253 HydrophobicContact CZ2-CD1 3.2Å; W199-Y253 AromaticContact CZ2-CE1 3.74Å; W199-Y253 HydrophobicContact CZ2-CE1 3.74Å; W199-Y253 AromaticContact CZ2-CG 3.74Å; W199-Y253 HydrophobicContact CZ2-CG 3.74Å; W199-Y253 HydrophobicContact CZ3-CG 4.47Å; L249-Y253 WeakPolarHBondContact O-CB 3.33Å; L249-Y253 PolarHBondContact O-N 3.45Å; E250-Y253 PolarHBondContact O-N 2.94Å; Y253-L256 PolarHBondContact O-N 3.04Å; Y253-I257 HydrophobicContact CD1-CD1 3.63Å; Y253-I257 HydrophobicContact CD1-CG1 4.46Å; Y253-I257 HydrophobicContact CD2-CD1 4.46Å; Y253-I257 HydrophobicContact CE1-CD1 3.11Å; Y253-I257 HydrophobicContact CE1-CG1 4.12Å; Y253-I257 HydrophobicContact CE2-CD1 3.99Å; Y253-I257 HydrophobicContact CE2-CG1 4.14Å; Y253-I257 HydrophobicContact CG-CD1 4.3Å; Y253-I257 WeakPolarHBondContact O-CG1 3.46Å; Y253-I257 PolarHBondContact O-N 2.97Å
254N84.5Confident80.3Confident14 Ų1466.7 Ų66.78%0.07534%0.344CS..Hα-helixtrans-65.2-40.5179.3-75.1-36.6000112.5E250 L251 I252 I257 I258 M329E250-N254 WeakPolarHBondContact CG-ND2 3.24Å; E250-N254 WeakPolarHBondContact O-CB 3.45Å; E250-N254 VanDerWaalsContact O-CG 3.29Å; E250-N254 PolarHBondContact O-N 3.37Å; E250-N254 PolarHBondContact O-ND2 2.86Å; E250-N254 VanDerWaalsContact O-ND2 3.1Å; L251-N254 PolarHBondContact O-N 2.92Å; I252-N254 VanDerWaalsContact C-N 3.35Å; I252-N254 PolarHBondContact O-N 3Å; N254-I257 PolarHBondContact O-N 2.98Å; N254-I258 WeakPolarHBondContact O-CG1 3.18Å; N254-I258 PolarHBondContact O-N 3.43Å; N254-M329 HydrophobicContact CB-CG 4.29Å; N254-M329 HydrophobicContact CB-SD 3.95Å; N254-M329 PolarHBondContact ND2-SD 3.45Å
255W87.6Confident82.9Confident122 Ų12261.6 Ų61.646%0.46231%0.309SS..Hα-helixtrans-63.6-40.8172-82.6114.2000112.6L251 I252 I258 L259 L326L251-W255 PolarHBondContact O-N 3.17Å; I252-W255 PolarHBondContact O-N 3.34Å; W255-I258 PolarHBondContact O-N 2.9Å; W255-L259 VanDerWaalsContact O-CB 3.29Å; W255-L259 WeakPolarHBondContact O-CB 3.5Å; W255-L259 PolarHBondContact O-N 2.71Å; W255-L326 HydrophobicContact CH2-CD1 3.61Å; W255-L326 HydrophobicContact CZ2-CD1 4.05Å; W255-L326 HydrophobicContact CZ3-CD1 4.07Å
256L90.2Very high85.2Confident81 Ų8156.3 Ų56.342%0.42428%0.28SS..Hα-helixtrans-64.2-42.6176.1-69.9173.1000111.6I252 Y253 L259 F260I252-L256 HydrophobicContact CG2-CD1 3.87Å; I252-L256 HydrophobicContact CG2-CG 4.34Å; I252-L256 VanDerWaalsContact O-CG 3.26Å; I252-L256 WeakPolarHBondContact O-CG 3.43Å; I252-L256 PolarHBondContact O-N 3.36Å; Y253-L256 PolarHBondContact O-N 3.04Å; L256-L259 PolarHBondContact O-N 3.13Å; L256-F260 HydrophobicContact CD2-CE2 4.07Å; L256-F260 VanDerWaalsContact O-CD2 3.29Å; L256-F260 WeakPolarHBondContact O-CD2 3.4Å; L256-F260 PolarHBondContact O-N 3.33Å
257I90.5Very high87.4Confident27 Ų2757.9 Ų57.914%0.13829%0.286CS..Hα-helixtrans-58.6-52.7174-71.9167.6000110Y253 N254 L259 F260 Q261Y253-I257 HydrophobicContact CD1-CD1 3.63Å; Y253-I257 HydrophobicContact CD1-CG1 4.46Å; Y253-I257 HydrophobicContact CD2-CD1 4.46Å; Y253-I257 HydrophobicContact CE1-CD1 3.11Å; Y253-I257 HydrophobicContact CE1-CG1 4.12Å; Y253-I257 HydrophobicContact CE2-CD1 3.99Å; Y253-I257 HydrophobicContact CE2-CG1 4.14Å; Y253-I257 HydrophobicContact CG-CD1 4.3Å; Y253-I257 WeakPolarHBondContact O-CG1 3.46Å; Y253-I257 PolarHBondContact O-N 2.97Å; N254-I257 PolarHBondContact O-N 2.98Å; I257-L259 VanDerWaalsContact C-N 3.26Å; I257-L259 PolarHBondContact O-N 3.16Å; I257-F260 PolarHBondContact O-N 2.96Å; I257-Q261 HydrophobicContact CG2-CB 4.09Å; I257-Q261 WeakPolarHBondContact O-CA 3.48Å; I257-Q261 WeakPolarHBondContact O-CB 3.25Å; I257-Q261 PolarHBondContact O-N 3.41Å
258I90.7Very high89.2Confident17 Ų1754.6 Ų54.69%0.08727%0.271CS..Hα-helixtrans-59.4-41.4-177.8-68.8169.8000110.7N254 W255 Y262 I263 L326N254-I258 WeakPolarHBondContact O-CG1 3.18Å; N254-I258 PolarHBondContact O-N 3.43Å; W255-I258 PolarHBondContact O-N 2.9Å; I258-Y262 PolarHBondContact O-N 3.12Å; I258-Y262 VanDerWaalsContact O-N 3.17Å; I258-I263 HydrophobicContact CG2-CD1 3.8Å; I258-I263 HydrophobicContact CG2-CG1 4.11Å; I258-I263 PolarHBondContact O-N 3.34Å; I258-I263 VanDerWaalsContact O-N 3.08Å; I258-L326 HydrophobicContact CD1-CD1 4.35Å
259L92.5Very high90.2Very high73 Ų7351.9 Ų51.938%0.38225%0.251SS..Iπ-helixtrans-61-54.2177.6-179.762.9000111.9W255 L256 I257 I263 L264W255-L259 VanDerWaalsContact O-CB 3.29Å; W255-L259 WeakPolarHBondContact O-CB 3.5Å; W255-L259 PolarHBondContact O-N 2.71Å; L256-L259 PolarHBondContact O-N 3.13Å; I257-L259 VanDerWaalsContact C-N 3.26Å; I257-L259 PolarHBondContact O-N 3.16Å; L259-I263 HydrophobicContact CD1-CB 4.33Å; L259-I263 HydrophobicContact CD1-CG2 4.32Å; L259-I263 PolarHBondContact O-N 2.67Å; L259-L264 VanDerWaalsContact O-CB 3.26Å; L259-L264 WeakPolarHBondContact O-CB 3.24Å; L259-L264 PolarHBondContact O-N 2.92Å
260F92.9Very high91.1Very high76 Ų7653.4 Ų53.433%0.33326%0.258SS..Iπ-helixtrans-83.2-28.1-172.7-75.7-71.9000114.2F129 L256 I257 L264 P265F129-F260 HydrophobicContact CE1-CB 3.83Å; L256-F260 HydrophobicContact CD2-CE2 4.07Å; L256-F260 VanDerWaalsContact O-CD2 3.29Å; L256-F260 WeakPolarHBondContact O-CD2 3.4Å; L256-F260 PolarHBondContact O-N 3.33Å; I257-F260 PolarHBondContact O-N 2.96Å; F260-L264 HydrophobicContact CD1-CD2 3.76Å; F260-L264 HydrophobicContact CE1-CD2 3.88Å; F260-P265 VanDerWaalsContact O-CD 3.23Å; F260-P265 WeakPolarHBondContact O-CD 3.45Å; F260-P265 WeakPolarHBondContact O-CG 3.25Å
261Q93Very high92Very high7 Ų754.3 Ų54.33%0.03326%0.264CS..Iπ-helixtrans-85.7-27.8-177.8-164173.976.100112.2V128 F129 I257 H322V128-Q261 HydrophobicContact CB-CG 4.21Å; V128-Q261 HydrophobicContact CG1-CG 3.33Å; F129-Q261 HydrophobicContact CD1-CB 4.3Å; F129-Q261 HydrophobicContact CD1-CG 4.45Å; F129-Q261 HydrophobicContact CE1-CB 3.79Å; F129-Q261 HydrophobicContact CE1-CG 4.33Å; F129-Q261 HydrophobicContact CZ-CB 4.13Å; I257-Q261 HydrophobicContact CG2-CB 4.09Å; I257-Q261 WeakPolarHBondContact O-CA 3.48Å; I257-Q261 WeakPolarHBondContact O-CB 3.25Å; I257-Q261 PolarHBondContact O-N 3.41Å; Q261-H322 PolarHBondContact OE1-CE1 3.07Å
262Y94.1Very high92.7Very high28 Ų2852.1 Ų52.111%0.1125%0.253CS..Iπ-helixtrans-130.6-62.4-174.3-164.1-109.2000114.3I258 P265 L266 A315 Q318 L319 H322I258-Y262 PolarHBondContact O-N 3.12Å; I258-Y262 VanDerWaalsContact O-N 3.17Å; Y262-P265 WeakPolarHBondContact O-CD 3.37Å; Y262-L266 HydrophobicContact CE1-CD2 3.82Å; Y262-L266 WeakPolarHBondContact O-CB 3.33Å; Y262-L266 PolarHBondContact O-N 2.98Å; Y262-A315 WeakPolarHBondContact CE2-O 3.44Å; Y262-A315 PolarHBondContact OH-O 3.43Å; Y262-Q318 HydrophobicContact CD2-CB 4.39Å; Y262-Q318 HydrophobicContact CE2-CB 4.19Å; Y262-L319 HydrophobicContact CE1-CD1 3.78Å; Y262-L319 WeakPolarHBondContact OH-CB 3.11Å; Y262-L319 WeakPolarHBondContact OH-CD1 3.23Å; Y262-H322 AromaticContact CD2-CD2 3.35Å; Y262-H322 WeakPolarHBondContact CD2-CD2 3.35Å; Y262-H322 AromaticContact CD2-NE2 3.71Å; Y262-H322 AromaticContact CG-CD2 3.47Å; Y262-H322 VanDerWaalsContact CG-CD2 3.47Å; Y262-H322 AromaticContact CG-CG 3.97Å; Y262-H322 AromaticContact CG-NE2 3.87Å
263I94.7Very high93.2Very high82 Ų8250 Ų5042%0.42124%0.241SC..Iπ-helixtrans-63-53.6-168.1-62.4176.6000111.7I258 L259 L266 F267I258-I263 HydrophobicContact CG2-CD1 3.8Å; I258-I263 HydrophobicContact CG2-CG1 4.11Å; I258-I263 PolarHBondContact O-N 3.34Å; I258-I263 VanDerWaalsContact O-N 3.08Å; L259-I263 HydrophobicContact CD1-CB 4.33Å; L259-I263 HydrophobicContact CD1-CG2 4.32Å; L259-I263 PolarHBondContact O-N 2.67Å; I263-L266 PolarHBondContact O-N 3.28Å; I263-F267 VanDerWaalsContact O-CB 3.29Å; I263-F267 WeakPolarHBondContact O-CB 3.24Å; I263-F267 PolarHBondContact O-N 3.37Å
264L95.5Very high93.7Very high73 Ų7352 Ų5238%0.38226%0.259SS..Hα-helixtrans-63.7-49.2-179.4175.972.5000111.6L259 F260 L266 F267 V268L259-L264 VanDerWaalsContact O-CB 3.26Å; L259-L264 WeakPolarHBondContact O-CB 3.24Å; L259-L264 PolarHBondContact O-N 2.92Å; F260-L264 HydrophobicContact CD1-CD2 3.76Å; F260-L264 HydrophobicContact CE1-CD2 3.88Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-L266 PolarHBondContact O-N 2.93Å; L264-F267 PolarHBondContact O-N 3.23Å; L264-V268 HydrophobicContact CD1-CG2 4.39Å; L264-V268 WeakPolarHBondContact O-CG2 3.28Å; L264-V268 PolarHBondContact O-N 2.93Å
265P96.7Very high94.1Very high5 Ų552.8 Ų52.83%0.03227%0.267CS..Hα-helixtrans-54.8-46.8172.7-28.134.7000113.4A132 V136 F260 Y262 V268 I269A132-P265 HydrophobicContact CB-CB 4.18Å; A132-P265 HydrophobicContact CB-CG 3.96Å; V136-P265 HydrophobicContact CG2-CB 3.77Å; F260-P265 VanDerWaalsContact O-CD 3.23Å; F260-P265 WeakPolarHBondContact O-CD 3.45Å; F260-P265 WeakPolarHBondContact O-CG 3.25Å; Y262-P265 WeakPolarHBondContact O-CD 3.37Å; P265-V268 PolarHBondContact O-N 3.44Å; P265-I269 WeakPolarHBondContact O-CB 3.45Å; P265-I269 WeakPolarHBondContact O-CD1 3.31Å; P265-I269 WeakPolarHBondContact O-CG1 3.14Å; P265-I269 PolarHBondContact O-N 3.3Å
266L96.2Very high94.3Very high45 Ų4547 Ų4724%0.23625%0.245CC..Hα-helixtrans-63.3-44.5-179-176.563000111.4Y262 I263 L264 V268 I269 I270 A315Y262-L266 HydrophobicContact CE1-CD2 3.82Å; Y262-L266 WeakPolarHBondContact O-CB 3.33Å; Y262-L266 PolarHBondContact O-N 2.98Å; I263-L266 PolarHBondContact O-N 3.28Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-L266 PolarHBondContact O-N 2.93Å; L266-V268 PolarHBondContact O-N 3.3Å; L266-I269 PolarHBondContact O-N 3.49Å; L266-I270 HydrophobicContact CD1-CD1 4.11Å; L266-I270 HydrophobicContact CD1-CG1 4.32Å; L266-I270 HydrophobicContact CD2-CD1 4.49Å; L266-I270 HydrophobicContact CG-CD1 3.84Å; L266-I270 HydrophobicContact CG-CG1 4.44Å; L266-I270 WeakPolarHBondContact O-CB 3.18Å; L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.48Å; L266-I270 PolarHBondContact O-N 2.94Å; L266-A315 HydrophobicContact CD1-CB 3.71Å
267F97.1Very high94.3Very high125 Ų12546.8 Ų46.855%0.54824%0.244SC..Hα-helixtrans-58.8-48176.8-179.3-105.6000111.8I263 L264 I269 I270 I271I263-F267 VanDerWaalsContact O-CB 3.29Å; I263-F267 WeakPolarHBondContact O-CB 3.24Å; I263-F267 PolarHBondContact O-N 3.37Å; L264-F267 PolarHBondContact O-N 3.23Å; F267-I269 PolarHBondContact O-N 2.64Å; F267-I270 PolarHBondContact O-N 3.47Å; F267-I271 HydrophobicContact CD1-CD1 3.76Å; F267-I271 HydrophobicContact CD2-CD1 4.24Å; F267-I271 HydrophobicContact CE1-CD1 3.26Å; F267-I271 HydrophobicContact CE2-CD1 3.8Å; F267-I271 HydrophobicContact CG-CD1 4.23Å; F267-I271 HydrophobicContact CZ-CD1 3.31Å; F267-I271 HydrophobicContact CZ-CG1 4.44Å; F267-I271 WeakPolarHBondContact O-CG1 3.33Å; F267-I271 PolarHBondContact O-N 2.96Å
268V97.5Very high94.3Very high38 Ų3848.7 Ų48.723%0.2326%0.259CS..Hα-helixtrans-63.4-42.3177.2177.70000111.1V136 I140 L264 P265 L266 I271 T272V136-V268 HydrophobicContact CG1-CB 4.31Å; V136-V268 HydrophobicContact CG1-CG1 3.7Å; V136-V268 HydrophobicContact CG2-CB 4.45Å; I140-V268 HydrophobicContact CD1-CG1 4.39Å; L264-V268 HydrophobicContact CD1-CG2 4.39Å; L264-V268 WeakPolarHBondContact O-CG2 3.28Å; L264-V268 PolarHBondContact O-N 2.93Å; P265-V268 PolarHBondContact O-N 3.44Å; L266-V268 PolarHBondContact O-N 3.3Å; V268-I271 PolarHBondContact O-N 3.49Å; V268-T272 HydrophobicContact CG1-CG2 4.07Å; V268-T272 VanDerWaalsContact O-CB 3.32Å; V268-T272 WeakPolarHBondContact O-CB 3.35Å; V268-T272 WeakPolarHBondContact O-CG2 3.43Å; V268-T272 PolarHBondContact O-N 3.38Å; V268-T272 PolarHBondContact O-OG1 2.95Å
269I96.2Very high94.2Very high13 Ų1350.7 Ų50.77%0.06727%0.268CS..Hα-helixtrans-61.4-45.7177.2-72.3166.4000111.1H135 V136 P265 L266 F267 T272 Y273 A311H135-I269 HydrophobicContact CB-CD1 3.76Å; V136-I269 HydrophobicContact CG2-CD1 4.4Å; V136-I269 HydrophobicContact CG2-CG1 4.26Å; P265-I269 WeakPolarHBondContact O-CB 3.45Å; P265-I269 WeakPolarHBondContact O-CD1 3.31Å; P265-I269 WeakPolarHBondContact O-CG1 3.14Å; P265-I269 PolarHBondContact O-N 3.3Å; L266-I269 PolarHBondContact O-N 3.49Å; F267-I269 PolarHBondContact O-N 2.64Å; I269-T272 WeakPolarHBondContact CA-OG1 3.28Å; I269-T272 PolarHBondContact O-N 3.5Å; I269-T272 PolarHBondContact O-OG1 3.32Å; I269-Y273 HydrophobicContact CG2-CD2 3.53Å; I269-Y273 HydrophobicContact CG2-CE2 3.48Å; I269-Y273 VanDerWaalsContact CG2-CE2 3.48Å; I269-Y273 WeakPolarHBondContact O-CB 3.42Å; I269-Y273 WeakPolarHBondContact O-CD2 3.35Å; I269-Y273 PolarHBondContact O-N 2.96Å; I269-A311 HydrophobicContact CG2-CB 4.22Å
270I96.4Very high93.7Very high93 Ų9350.1 Ų50.148%0.47726%0.264SS..Hα-helixtrans-62-49.7178.2-71.1169.1000110.6L266 F267 T272 S274L266-I270 HydrophobicContact CD1-CD1 4.11Å; L266-I270 HydrophobicContact CD1-CG1 4.32Å; L266-I270 HydrophobicContact CD2-CD1 4.49Å; L266-I270 HydrophobicContact CG-CD1 3.84Å; L266-I270 HydrophobicContact CG-CG1 4.44Å; L266-I270 WeakPolarHBondContact O-CB 3.18Å; L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.48Å; L266-I270 PolarHBondContact O-N 2.94Å; F267-I270 PolarHBondContact O-N 3.47Å; I270-T272 PolarHBondContact O-N 3.1Å; I270-S274 WeakPolarHBondContact O-CB 3.28Å; I270-S274 PolarHBondContact O-N 3.36Å; I270-S274 PolarHBondContact O-OG 3.26Å
271I96.7Very high93.3Very high87 Ų8756 Ų5645%0.44629%0.285SS..Hα-helixtrans-60.3-49.5179.5-72.3175.2000110.8F267 V268 Y273 S274 A275F267-I271 HydrophobicContact CD1-CD1 3.76Å; F267-I271 HydrophobicContact CD2-CD1 4.24Å; F267-I271 HydrophobicContact CE1-CD1 3.26Å; F267-I271 HydrophobicContact CE2-CD1 3.8Å; F267-I271 HydrophobicContact CG-CD1 4.23Å; F267-I271 HydrophobicContact CZ-CD1 3.31Å; F267-I271 HydrophobicContact CZ-CG1 4.44Å; F267-I271 WeakPolarHBondContact O-CG1 3.33Å; F267-I271 PolarHBondContact O-N 2.96Å; V268-I271 PolarHBondContact O-N 3.49Å; I271-Y273 PolarHBondContact O-N 3.33Å; I271-S274 PolarHBondContact O-N 3.23Å; I271-A275 WeakPolarHBondContact O-CB 3.44Å; I271-A275 PolarHBondContact O-N 2.85Å
272T96Very high92.7Very high8 Ų861.2 Ų61.25%0.04931%0.312CS..Hα-helixtrans-63.3-44.8-176.349.70000111.7S139 I140 L143 V268 I269 I270 A275 I276S139-T272 WeakPolarHBondContact CB-OG1 3.38Å; S139-T272 PolarHBondContact OG-OG1 2.79Å; I140-T272 HydrophobicContact CG1-CG2 4.05Å; L143-T272 HydrophobicContact CD2-CG2 3.99Å; V268-T272 HydrophobicContact CG1-CG2 4.07Å; V268-T272 VanDerWaalsContact O-CB 3.32Å; V268-T272 WeakPolarHBondContact O-CB 3.35Å; V268-T272 WeakPolarHBondContact O-CG2 3.43Å; V268-T272 PolarHBondContact O-N 3.38Å; V268-T272 PolarHBondContact O-OG1 2.95Å; I269-T272 WeakPolarHBondContact CA-OG1 3.28Å; I269-T272 PolarHBondContact O-N 3.5Å; I269-T272 PolarHBondContact O-OG1 3.32Å; I270-T272 PolarHBondContact O-N 3.1Å; T272-A275 PolarHBondContact O-N 3.01Å; T272-I276 VanDerWaalsContact O-CG1 3.3Å; T272-I276 WeakPolarHBondContact O-CG1 3.1Å; T272-I276 PolarHBondContact O-N 3.49Å
273Y94.2Very high91.6Very high13 Ų1363 Ų635%0.05133%0.328CS..Hα-helixtrans-72.4-35.5177.9-68.4-34.3000113.6I269 I271 A275 I276 I277 V307 I308 A311I269-Y273 HydrophobicContact CG2-CD2 3.53Å; I269-Y273 HydrophobicContact CG2-CE2 3.48Å; I269-Y273 VanDerWaalsContact CG2-CE2 3.48Å; I269-Y273 WeakPolarHBondContact O-CB 3.42Å; I269-Y273 WeakPolarHBondContact O-CD2 3.35Å; I269-Y273 PolarHBondContact O-N 2.96Å; I271-Y273 PolarHBondContact O-N 3.33Å; Y273-A275 VanDerWaalsContact C-N 3.31Å; Y273-A275 PolarHBondContact O-N 3.43Å; Y273-I276 HydrophobicContact CD1-CD1 3.97Å; Y273-I276 HydrophobicContact CE1-CD1 4.44Å; Y273-I276 PolarHBondContact O-N 3.1Å; Y273-I277 WeakPolarHBondContact O-CB 3.41Å; Y273-I277 VanDerWaalsContact O-CG1 3.28Å; Y273-I277 WeakPolarHBondContact O-CG1 3.39Å; Y273-I277 PolarHBondContact O-N 3.39Å; Y273-V307 HydrophobicContact CE1-CG2 4.26Å; Y273-V307 PolarHBondContact OH-O 3.49Å; Y273-I308 HydrophobicContact CD1-CD1 4.2Å; Y273-I308 HydrophobicContact CD1-CG1 3.58Å; Y273-I308 HydrophobicContact CD2-CG1 3.95Å; Y273-I308 HydrophobicContact CE1-CG1 3.69Å; Y273-I308 HydrophobicContact CE2-CB 4.43Å; Y273-I308 HydrophobicContact CE2-CG1 4.04Å; Y273-I308 HydrophobicContact CG-CD1 4.37Å; Y273-I308 HydrophobicContact CG-CG1 3.72Å; Y273-A311 HydrophobicContact CE2-CB 3.66Å
274S93.8Very high89.9Confident66 Ų6664.7 Ų64.746%0.46234%0.342SS..Hα-helixtrans-60.6-43.3172.6-59.30000111I270 I271 I276 I277 C278I270-S274 WeakPolarHBondContact O-CB 3.28Å; I270-S274 PolarHBondContact O-N 3.36Å; I270-S274 PolarHBondContact O-OG 3.26Å; I271-S274 PolarHBondContact O-N 3.23Å; S274-I276 PolarHBondContact O-N 3.43Å; S274-I277 PolarHBondContact O-N 2.94Å; S274-C278 WeakPolarHBondContact O-CB 3.41Å; S274-C278 PolarHBondContact O-N 3.33Å
275A94.3Very high88.1Confident29 Ų2968.2 Ų68.224%0.2436%0.36CS..Hα-helixtrans-63-39.5174.900000112.5L143 I271 T272 Y273 Q279L143-A275 HydrophobicContact CD1-CB 3.82Å; I271-A275 WeakPolarHBondContact O-CB 3.44Å; I271-A275 PolarHBondContact O-N 2.85Å; T272-A275 PolarHBondContact O-N 3.01Å; Y273-A275 VanDerWaalsContact C-N 3.31Å; Y273-A275 PolarHBondContact O-N 3.43Å; A275-Q279 VanDerWaalsContact O-CB 3.26Å; A275-Q279 WeakPolarHBondContact O-CB 3.47Å; A275-Q279 PolarHBondContact O-N 3.24Å
276I91.3Very high86.3Confident0 Ų071.8 Ų71.80%038%0.383CS..Hα-helixtrans-64.6-46.2175.4-69.1174.5000111.1R142 L143 V146 T272 Y273 S274 Q279 I280 I304R142-I276 HydrophobicContact CB-CD1 3.58Å; L143-I276 HydrophobicContact CB-CD1 4.11Å; L143-I276 HydrophobicContact CB-CG1 4.05Å; L143-I276 HydrophobicContact CD1-CG1 3.8Å; V146-I276 HydrophobicContact CG2-CG2 4.25Å; T272-I276 VanDerWaalsContact O-CG1 3.3Å; T272-I276 WeakPolarHBondContact O-CG1 3.1Å; T272-I276 PolarHBondContact O-N 3.49Å; Y273-I276 HydrophobicContact CD1-CD1 3.97Å; Y273-I276 HydrophobicContact CE1-CD1 4.44Å; Y273-I276 PolarHBondContact O-N 3.1Å; S274-I276 PolarHBondContact O-N 3.43Å; I276-Q279 PolarHBondContact O-N 3.05Å; I276-I280 HydrophobicContact CG2-CD1 3.71Å; I276-I280 HydrophobicContact CG2-CG1 4.41Å; I276-I280 VanDerWaalsContact O-CG1 3.26Å; I276-I280 WeakPolarHBondContact O-CG1 3.14Å; I276-I280 PolarHBondContact O-N 3.15Å; I276-I304 HydrophobicContact CG2-CD1 4.29Å; I276-I304 HydrophobicContact CG2-CG2 3.76Å
277I90.3Very high84.2Confident77 Ų7773.1 Ų73.140%0.39541%0.408SS..Hα-helixtrans-59.5-55179.1-70.8168.8000108.6Y273 S274 Q279 I280 W281Y273-I277 WeakPolarHBondContact O-CB 3.41Å; Y273-I277 VanDerWaalsContact O-CG1 3.28Å; Y273-I277 WeakPolarHBondContact O-CG1 3.39Å; Y273-I277 PolarHBondContact O-N 3.39Å; S274-I277 PolarHBondContact O-N 2.94Å; I277-Q279 VanDerWaalsContact C-N 3.31Å; I277-Q279 PolarHBondContact O-N 3.35Å; I277-I280 WeakPolarHBondContact O-CA 3.29Å; I277-I280 WeakPolarHBondContact O-CB 3.46Å; I277-I280 PolarHBondContact O-N 2.98Å; I277-W281 VanDerWaalsContact C-CD1 3.5Å; I277-W281 VanDerWaalsContact CG2-CD1 3.48Å; I277-W281 PolarHBondContact O-N 3.4Å
278C91Very high82.3Confident67 Ų6776.9 Ų76.945%0.45343%0.427SS..Hα-helixtrans-52.7-46.4177.1-174.90000112.4S274 I280 W281 I282S274-C278 WeakPolarHBondContact O-CB 3.41Å; S274-C278 PolarHBondContact O-N 3.33Å; C278-I280 VanDerWaalsContact C-N 3.31Å; C278-I280 PolarHBondContact O-N 3.37Å; C278-W281 PolarHBondContact O-N 3Å; C278-W281 VanDerWaalsContact O-N 3.15Å; C278-I282 WeakPolarHBondContact O-CG1 3.39Å; C278-I282 PolarHBondContact O-N 3.35Å
279Q87.3Confident80.5Confident59 Ų5976.3 Ų76.328%0.27643%0.429SS..Hα-helixtrans-60.9-38.5177.1-175.563.945.900112.6V146 A275 I276 I277 S283V146-Q279 HydrophobicContact CG1-CB 4.22Å; V146-Q279 HydrophobicContact CG1-CG 3.61Å; A275-Q279 VanDerWaalsContact O-CB 3.26Å; A275-Q279 WeakPolarHBondContact O-CB 3.47Å; A275-Q279 PolarHBondContact O-N 3.24Å; I276-Q279 PolarHBondContact O-N 3.05Å; I277-Q279 VanDerWaalsContact C-N 3.31Å; I277-Q279 PolarHBondContact O-N 3.35Å; Q279-S283 PolarHBondContact NE2-OG 2.9Å; Q279-S283 VanDerWaalsContact NE2-OG 3.1Å; Q279-S283 WeakPolarHBondContact O-CB 3.35Å; Q279-S283 PolarHBondContact O-N 3.49Å; Q279-S283 PolarHBondContact O-OG 3.27Å
280I82.8Confident79Confident61 Ų6181.5 Ų81.531%0.31346%0.457SS..Hα-helixtrans-67.4-36.7177.3-70166.6000111.1I276 I277 C278I276-I280 HydrophobicContact CG2-CD1 3.71Å; I276-I280 HydrophobicContact CG2-CG1 4.41Å; I276-I280 VanDerWaalsContact O-CG1 3.26Å; I276-I280 WeakPolarHBondContact O-CG1 3.14Å; I276-I280 PolarHBondContact O-N 3.15Å; I277-I280 WeakPolarHBondContact O-CA 3.29Å; I277-I280 WeakPolarHBondContact O-CB 3.46Å; I277-I280 PolarHBondContact O-N 2.98Å; C278-I280 VanDerWaalsContact C-N 3.31Å; C278-I280 PolarHBondContact O-N 3.37Å
281W83.9Confident77.8Confident200 Ų20081.2 Ų81.276%0.75846%0.459SS*.Hα-helixtrans-70-43.5176.6-68.2105.5000112.5I277 C278 S283I277-W281 VanDerWaalsContact C-CD1 3.5Å; I277-W281 VanDerWaalsContact CG2-CD1 3.48Å; I277-W281 PolarHBondContact O-N 3.4Å; C278-W281 PolarHBondContact O-N 3Å; C278-W281 VanDerWaalsContact O-N 3.15Å; W281-S283 VanDerWaalsContact C-N 3.29Å; W281-S283 PolarHBondContact O-N 2.85Å
282I81.2Confident76.3Confident117 Ų11783.9 Ų83.960%0.647%0.469SS*.Hα-helixtrans-67-34.7177.9-65.3168.4000111C278 T284C278-I282 WeakPolarHBondContact O-CG1 3.39Å; C278-I282 PolarHBondContact O-N 3.35Å; I282-T284 PolarHBondContact O-N 3.49Å
283S69.7Low74.8Confident64 Ų6492.1 Ų92.145%0.44850%0.499SS..SBendtrans-79.370179.4-520000110.6Q279 W281Q279-S283 PolarHBondContact NE2-OG 2.9Å; Q279-S283 VanDerWaalsContact NE2-OG 3.1Å; Q279-S283 WeakPolarHBondContact O-CB 3.35Å; Q279-S283 PolarHBondContact O-N 3.49Å; Q279-S283 PolarHBondContact O-OG 3.27Å; W281-S283 VanDerWaalsContact C-N 3.29Å; W281-S283 PolarHBondContact O-N 2.85Å
284T59.3Low73.5Confident118 Ų11894.4 Ų94.472%0.72451%0.512SS*.  trans-59.9146.6170.251.30000110.4I282 P286I282-T284 PolarHBondContact O-N 3.49Å; T284-P286 VanDerWaalsContact O-CD 3.28Å; T284-P286 WeakPolarHBondContact O-CD 3.21Å
285I58.4Low72.2Confident148 Ų14895.1 Ų95.176%0.75951%0.508SS*.  trans-63.6113.2-165.2-53.5151.8000108.9G287I285-G287 PolarHBondContact O-N 2.98Å
286P58Low70.7Confident80 Ų80101 Ų10152%0.51952%0.524SS..  trans-66.3125.8175.726-31.4000109T284T284-P286 VanDerWaalsContact O-CD 3.28Å; T284-P286 WeakPolarHBondContact O-CD 3.21Å
287G53.7Low69.5Low73 Ų73103.4 Ų103.475%0.75354%0.541SS*.SBendtrans-51.9151.5168.100000111.7I285I285-G287 PolarHBondContact O-N 2.98Å
288E56.8Low68.6Low204 Ų204107 Ų10795%0.95355%0.549SS*.SBendtrans60.838.1-176.5-134.8105.3-148.500115.5N290E288-N290 PolarHBondContact O-N 3.46Å
289G59.2Low67.3Low26 Ų26106.4 Ų106.427%0.26855%0.55SS..  trans-71.6110.3174.400000112.5V291 I294G289-V291 PolarHBondContact O-N 3.26Å; G289-I294 VanDerWaalsContact O-CD1 3.24Å; G289-I294 WeakPolarHBondContact O-CD1 3.41Å
290N64.4Low66.6Low121 Ų121106.2 Ų106.265%0.64756%0.555SS**  trans-45.2127.8167.8-162.1-19.4000110E288 H292 R293 I294E288-N290 PolarHBondContact O-N 3.46Å; N290-H292 PolarHBondContact O-N 3.47Å; N290-R293 WeakPolarHBondContact O-CB 3.45Å; N290-R293 PolarHBondContact O-N 3.36Å; N290-I294 PolarHBondContact O-N 3.4Å
291V70.9Confident66.3Low87 Ų87108.1 Ų108.153%0.52756%0.558SS.*Hα-helixtrans-48.2-38.9-168.1177.40000112G289 R293 I294 E295G289-V291 PolarHBondContact O-N 3.26Å; V291-R293 PolarHBondContact O-N 3.25Å; V291-I294 PolarHBondContact O-N 2.85Å; V291-E295 HydrophobicContact CG1-CG 4.31Å; V291-E295 WeakPolarHBondContact O-CG 3.29Å; V291-E295 PolarHBondContact O-N 3.34Å
292H66Low66.1Low143 Ų143103 Ų10366%0.66254%0.541SS*.Hα-helixtrans-60.9-36.2176.6-73.6-47.4000114.8N290 E295 R296N290-H292 PolarHBondContact O-N 3.47Å; H292-E295 IonicContact ND1-OE2 3.89Å; H292-R296 VanDerWaalsContact O-CB 3.29Å; H292-R296 WeakPolarHBondContact O-CB 3.31Å; H292-R296 PolarHBondContact O-N 3.3Å
293R64.7Low66.1Low181 Ų18199.9 Ų99.968%0.68353%0.526SS*.Hα-helixtrans-70.4-39.6176.9-171.5178.1179-177.3-0.8110.7N290 V291 R296 S297N290-R293 WeakPolarHBondContact O-CB 3.45Å; N290-R293 PolarHBondContact O-N 3.36Å; V291-R293 PolarHBondContact O-N 3.25Å; R293-R296 PolarHBondContact O-N 2.97Å; R293-S297 WeakPolarHBondContact O-CB 3.32Å; R293-S297 PolarHBondContact O-N 3.46Å
294I67.5Low66.9Low61 Ų6197.3 Ų97.331%0.31351%0.507SS..Hα-helixtrans-64.5-47176-61.5177.4000110.2G289 N290 V291 R296 S297 R298G289-I294 VanDerWaalsContact O-CD1 3.24Å; G289-I294 WeakPolarHBondContact O-CD1 3.41Å; N290-I294 PolarHBondContact O-N 3.4Å; V291-I294 PolarHBondContact O-N 2.85Å; I294-R296 PolarHBondContact O-N 3.38Å; I294-S297 PolarHBondContact O-N 2.9Å; I294-R298 HydrophobicContact CG2-CG 4.41Å; I294-R298 WeakPolarHBondContact O-CB 3.46Å; I294-R298 WeakPolarHBondContact O-CG 3.5Å; I294-R298 PolarHBondContact O-N 2.92Å
295E65Low68.3Low82 Ų8297.5 Ų97.538%0.38350%0.497SS..Hα-helixtrans-60.3-45.4176.9-74.5-177.3164.900112V291 H292 S297 R298 A299V291-E295 HydrophobicContact CG1-CG 4.31Å; V291-E295 WeakPolarHBondContact O-CG 3.29Å; V291-E295 PolarHBondContact O-N 3.34Å; H292-E295 IonicContact ND1-OE2 3.89Å; E295-S297 VanDerWaalsContact C-N 3.33Å; E295-S297 PolarHBondContact O-N 2.85Å; E295-R298 PolarHBondContact O-N 2.97Å; E295-A299 WeakPolarHBondContact O-CB 3.38Å; E295-A299 PolarHBondContact O-N 3.4Å
296R64.1Low69.7Low152 Ų15290.7 Ų90.757%0.57446%0.463SS*.Hα-helixtrans-61.9-39.4176.7-172174.8-174.2159.15.7112.4H292 R293 I294 S300H292-R296 VanDerWaalsContact O-CB 3.29Å; H292-R296 WeakPolarHBondContact O-CB 3.31Å; H292-R296 PolarHBondContact O-N 3.3Å; R293-R296 PolarHBondContact O-N 2.97Å; I294-R296 PolarHBondContact O-N 3.38Å; R296-S300 WeakPolarHBondContact O-CB 3.31Å; R296-S300 PolarHBondContact O-N 3.29Å; R296-S300 VanDerWaalsContact O-N 3.07Å; R296-S300 PolarHBondContact O-OG 2.96Å
297S65.8Low71.1Confident51 Ų5187.2 Ų87.236%0.35744%0.44SS..Hα-helixtrans-66.9-45.1174.4-178.90000111.8R293 I294 E295 A299 S300 R301R293-S297 WeakPolarHBondContact O-CB 3.32Å; R293-S297 PolarHBondContact O-N 3.46Å; I294-S297 PolarHBondContact O-N 2.9Å; E295-S297 VanDerWaalsContact C-N 3.33Å; E295-S297 PolarHBondContact O-N 2.85Å; S297-A299 PolarHBondContact O-N 3.25Å; S297-S300 PolarHBondContact O-N 3.39Å; S297-R301 WeakPolarHBondContact O-CG 3.37Å; S297-R301 PolarHBondContact O-N 2.88Å
298R70.1Confident73Confident151 Ų15185.5 Ų85.557%0.5741%0.413SS*.Hα-helixtrans-58.3-45.1174.6-75.1177.6179.11710.1112I294 E295 R301 K302I294-R298 HydrophobicContact CG2-CG 4.41Å; I294-R298 WeakPolarHBondContact O-CB 3.46Å; I294-R298 WeakPolarHBondContact O-CG 3.5Å; I294-R298 PolarHBondContact O-N 2.92Å; E295-R298 PolarHBondContact O-N 2.97Å; R298-R301 PolarHBondContact O-N 2.96Å; R298-K302 WeakPolarHBondContact O-CG 3.36Å; R298-K302 PolarHBondContact O-N 3.45Å; R298-K302 VanDerWaalsContact O-N 3.16Å
299A65.2Low74.8Confident55 Ų5577.8 Ų77.846%0.45538%0.378SS..Hα-helixtrans-62.8-41.5176.600000112.1E295 S297 K302 L303E295-A299 WeakPolarHBondContact O-CB 3.38Å; E295-A299 PolarHBondContact O-N 3.4Å; S297-A299 PolarHBondContact O-N 3.25Å; A299-K302 PolarHBondContact O-N 3.33Å; A299-L303 PolarHBondContact O-N 3.45Å
300S71.9Confident76.5Confident55 Ų5576.8 Ų76.839%0.38537%0.366SS..Hα-helixtrans-66.2-41.8179.5-57.10000111.9R296 S297 K302 L303 I304R296-S300 WeakPolarHBondContact O-CB 3.31Å; R296-S300 PolarHBondContact O-N 3.29Å; R296-S300 VanDerWaalsContact O-N 3.07Å; R296-S300 PolarHBondContact O-OG 2.96Å; S297-S300 PolarHBondContact O-N 3.39Å; S300-K302 PolarHBondContact O-N 3.37Å; S300-L303 PolarHBondContact O-N 3.47Å; S300-I304 WeakPolarHBondContact O-CG1 3.21Å; S300-I304 PolarHBondContact O-N 3.02Å
301R77.4Confident77.9Confident101 Ų10171 Ų7138%0.38134%0.336SS..Hα-helixtrans-62.4-39.9175.6-74.5-175.5-72.7-138.60.2113S297 R298 I304 K305S297-R301 WeakPolarHBondContact O-CG 3.37Å; S297-R301 PolarHBondContact O-N 2.88Å; R298-R301 PolarHBondContact O-N 2.96Å; R301-I304 PolarHBondContact O-N 2.75Å; R301-K305 WeakPolarHBondContact O-CB 3.48Å; R301-K305 PolarHBondContact O-N 3.12Å
302K79.8Confident79.1Confident92 Ų9269.5 Ų69.540%0.433%0.329SS..Hα-helixtrans-62.1-43.2175.7-73.3179.7-179.5-179.30111.9R298 A299 S300 K305 M306R298-K302 WeakPolarHBondContact O-CG 3.36Å; R298-K302 PolarHBondContact O-N 3.45Å; R298-K302 VanDerWaalsContact O-N 3.16Å; A299-K302 PolarHBondContact O-N 3.33Å; S300-K302 PolarHBondContact O-N 3.37Å; K302-K305 PolarHBondContact O-N 3.25Å; K302-M306 WeakPolarHBondContact O-CB 3.17Å; K302-M306 PolarHBondContact O-N 3.35Å
303L80.6Confident80.5Confident53 Ų5365.3 Ų65.328%0.27731%0.311SS..Hα-helixtrans-63.1-42.1175.8-69.5171.8000111.9A299 S300 M306 V307A299-L303 PolarHBondContact O-N 3.45Å; S300-L303 PolarHBondContact O-N 3.47Å; L303-M306 WeakPolarHBondContact O-CB 3.28Å; L303-M306 PolarHBondContact O-N 3Å; L303-V307 PolarHBondContact O-N 3.48Å; L303-V307 VanDerWaalsContact O-N 3.1Å
304I85.4Confident81.9Confident10 Ų1057.6 Ų57.65%0.05128%0.282CS..Hα-helixtrans-60.7-49.5175.7-70.3164.6000110.6R142 V146 I276 S300 R301 M306 V307 I308R142-I304 HydrophobicContact CB-CG1 4.37Å; R142-I304 HydrophobicContact CG-CG1 4.36Å; V146-I304 HydrophobicContact CG2-CD1 3.42Å; V146-I304 VanDerWaalsContact CG2-CD1 3.42Å; I276-I304 HydrophobicContact CG2-CD1 4.29Å; I276-I304 HydrophobicContact CG2-CG2 3.76Å; S300-I304 WeakPolarHBondContact O-CG1 3.21Å; S300-I304 PolarHBondContact O-N 3.02Å; R301-I304 PolarHBondContact O-N 2.75Å; I304-M306 VanDerWaalsContact C-N 3.27Å; I304-M306 PolarHBondContact O-N 3.32Å; I304-V307 VanDerWaalsContact O-CG2 3.22Å; I304-V307 WeakPolarHBondContact O-CG2 3.43Å; I304-V307 PolarHBondContact O-N 3.5Å; I304-I308 HydrophobicContact CG2-CD1 3.7Å; I304-I308 HydrophobicContact CG2-CG1 4.37Å; I304-I308 VanDerWaalsContact O-CG1 3.31Å; I304-I308 WeakPolarHBondContact O-CG1 3.44Å; I304-I308 PolarHBondContact O-N 2.9Å
305K88.6Confident83.2Confident121 Ų12155.3 Ų55.353%0.52627%0.273SS..Hα-helixtrans-57.2-42.7178.1-171.7176.4176.4-176.90111.6R301 K302 I308 I309 M365R301-K305 WeakPolarHBondContact O-CB 3.48Å; R301-K305 PolarHBondContact O-N 3.12Å; K302-K305 PolarHBondContact O-N 3.25Å; K305-I308 PolarHBondContact O-N 3.45Å; K305-I309 HydrophobicContact CG-CD1 4.04Å; K305-I309 WeakPolarHBondContact O-CD1 3.4Å; K305-I309 WeakPolarHBondContact O-CG1 3.04Å; K305-I309 PolarHBondContact O-N 3.15Å; K305-I309 VanDerWaalsContact O-N 3.12Å; K305-M365 HydrophobicContact CB-CE 4.38Å; K305-M365 HydrophobicContact CD-CE 3.52Å; K305-M365 HydrophobicContact CG-CE 3.76Å
306M87.8Confident84.7Confident6 Ų656.8 Ų56.83%0.0328%0.282CS..Hα-helixtrans-59-48.5177.6-164.4-178.790.300112.2K302 L303 I304 I309 V310 V361 Y362 M365K302-M306 WeakPolarHBondContact O-CB 3.17Å; K302-M306 PolarHBondContact O-N 3.35Å; L303-M306 WeakPolarHBondContact O-CB 3.28Å; L303-M306 PolarHBondContact O-N 3Å; I304-M306 VanDerWaalsContact C-N 3.27Å; I304-M306 PolarHBondContact O-N 3.32Å; M306-I309 PolarHBondContact O-N 3.43Å; M306-V310 WeakPolarHBondContact O-CG2 3.49Å; M306-V310 PolarHBondContact O-N 3.39Å; M306-V310 VanDerWaalsContact O-N 3.08Å; M306-V361 HydrophobicContact CB-CG1 4.44Å; M306-V361 HydrophobicContact CG-CG1 3.52Å; M306-Y362 HydrophobicContact CE-CD1 2.98Å; M306-Y362 HydrophobicContact CE-CE1 3.13Å; M306-Y362 HydrophobicContact CE-CG 3.92Å; M306-Y362 HydrophobicContact CG-CD1 3.87Å; M306-Y362 HydrophobicContact CG-CE1 4.27Å; M306-Y362 HydrophobicContact SD-CD1 3.41Å; M306-Y362 WeakPolarHBondContact SD-CD1 3.45Å; M306-Y362 HydrophobicContact SD-CE1 4.1Å; M306-Y362 HydrophobicContact SD-CG 4.25Å; M306-M365 HydrophobicContact CB-CB 4.46Å; M306-M365 HydrophobicContact CB-SD 4.38Å; M306-M365 HydrophobicContact CG-CB 4.2Å
307V89.3Confident86.2Confident7 Ų750 Ų504%0.04226%0.258CS..Hα-helixtrans-74-28.2-178.5-58.80000113.4I138 R142 Y273 L303 I304 A311I138-V307 HydrophobicContact CG2-CB 3.85Å; I138-V307 HydrophobicContact CG2-CG1 3.82Å; I138-V307 HydrophobicContact CG2-CG2 4.2Å; R142-V307 HydrophobicContact CG-CG2 3.56Å; Y273-V307 HydrophobicContact CE1-CG2 4.26Å; Y273-V307 PolarHBondContact OH-O 3.49Å; L303-V307 PolarHBondContact O-N 3.48Å; L303-V307 VanDerWaalsContact O-N 3.1Å; I304-V307 VanDerWaalsContact O-CG2 3.22Å; I304-V307 WeakPolarHBondContact O-CG2 3.43Å; I304-V307 PolarHBondContact O-N 3.5Å; V307-A311 VanDerWaalsContact O-CB 3.32Å; V307-A311 WeakPolarHBondContact O-CB 3.41Å; V307-A311 PolarHBondContact O-N 3.36Å
308I93.1Very high87.5Confident37 Ų3747.7 Ų47.719%0.1924%0.241CC..Hα-helixtrans-61.3-50.7170.9-70.2169.4000109.3Y273 I304 K305 V310 A311 S312Y273-I308 HydrophobicContact CD1-CD1 4.2Å; Y273-I308 HydrophobicContact CD1-CG1 3.58Å; Y273-I308 HydrophobicContact CD2-CG1 3.95Å; Y273-I308 HydrophobicContact CE1-CG1 3.69Å; Y273-I308 HydrophobicContact CE2-CB 4.43Å; Y273-I308 HydrophobicContact CE2-CG1 4.04Å; Y273-I308 HydrophobicContact CG-CD1 4.37Å; Y273-I308 HydrophobicContact CG-CG1 3.72Å; I304-I308 HydrophobicContact CG2-CD1 3.7Å; I304-I308 HydrophobicContact CG2-CG1 4.37Å; I304-I308 VanDerWaalsContact O-CG1 3.31Å; I304-I308 WeakPolarHBondContact O-CG1 3.44Å; I304-I308 PolarHBondContact O-N 2.9Å; K305-I308 PolarHBondContact O-N 3.45Å; I308-V310 PolarHBondContact O-N 2.85Å; I308-A311 PolarHBondContact O-N 3.4Å; I308-S312 WeakPolarHBondContact O-CB 3.33Å; I308-S312 PolarHBondContact O-N 3.14Å; I308-S312 PolarHBondContact O-OG 3.07Å; I308-S312 VanDerWaalsContact O-OG 3.08Å
309I94.7Very high88.6Confident42 Ų4243.8 Ų43.822%0.21523%0.231CC..Hα-helixtrans-60.2-46.5-179.8-69.4160.2000111.1K305 M306 A311 S312 L313 V361 W364 M365K305-I309 HydrophobicContact CG-CD1 4.04Å; K305-I309 WeakPolarHBondContact O-CD1 3.4Å; K305-I309 WeakPolarHBondContact O-CG1 3.04Å; K305-I309 PolarHBondContact O-N 3.15Å; K305-I309 VanDerWaalsContact O-N 3.12Å; M306-I309 PolarHBondContact O-N 3.43Å; I309-A311 PolarHBondContact O-N 3.26Å; I309-S312 PolarHBondContact O-N 3.5Å; I309-L313 HydrophobicContact CG2-CD1 3.85Å; I309-L313 HydrophobicContact CG2-CG 4.37Å; I309-L313 WeakPolarHBondContact O-CB 3.44Å; I309-L313 VanDerWaalsContact O-CG 3.32Å; I309-L313 WeakPolarHBondContact O-CG 3.47Å; I309-L313 PolarHBondContact O-N 2.87Å; I309-V361 HydrophobicContact CB-CG1 4.4Å; I309-V361 HydrophobicContact CG2-CG1 4.2Å; I309-V361 HydrophobicContact CG2-CG2 3.78Å; I309-W364 HydrophobicContact CD1-CZ3 4.01Å; I309-M365 HydrophobicContact CD1-CE 3.93Å; I309-M365 HydrophobicContact CD1-SD 3.38Å; I309-M365 WeakPolarHBondContact CD1-SD 3.2Å
310V93.6Very high89.9Confident4 Ų443 Ų432%0.02422%0.222CC..Hα-helixtrans-56.8-47.9176.6155.80000111.8L85 M306 I308 L313 Y314 N358 V361 Y362L85-V310 HydrophobicContact CD2-CG1 4.21Å; M306-V310 WeakPolarHBondContact O-CG2 3.49Å; M306-V310 PolarHBondContact O-N 3.39Å; M306-V310 VanDerWaalsContact O-N 3.08Å; I308-V310 PolarHBondContact O-N 2.85Å; V310-L313 PolarHBondContact O-N 2.91Å; V310-Y314 PolarHBondContact O-N 3.36Å; V310-N358 WeakPolarHBondContact CG1-OD1 3.36Å; V310-N358 WeakPolarHBondContact CG2-OD1 3.37Å; V310-V361 HydrophobicContact CG2-CB 3.86Å; V310-V361 HydrophobicContact CG2-CG1 3.79Å; V310-V361 HydrophobicContact CG2-CG2 4.19Å; V310-Y362 HydrophobicContact CG2-CE1 3.97Å
311A94.4Very high90.7Very high1 Ų141.4 Ų41.41%0.00821%0.207CC..Hα-helixtrans-67.4-38.1179.700000112.8I269 Y273 V307 I308 I309 Y314 A315I269-A311 HydrophobicContact CG2-CB 4.22Å; Y273-A311 HydrophobicContact CE2-CB 3.66Å; V307-A311 VanDerWaalsContact O-CB 3.32Å; V307-A311 WeakPolarHBondContact O-CB 3.41Å; V307-A311 PolarHBondContact O-N 3.36Å; I308-A311 PolarHBondContact O-N 3.4Å; I309-A311 PolarHBondContact O-N 3.26Å; A311-Y314 PolarHBondContact O-N 2.98Å; A311-A315 WeakPolarHBondContact O-CB 3.46Å; A311-A315 PolarHBondContact O-N 2.64Å
312S95.4Very high91.2Very high55 Ų5537.1 Ų37.139%0.38519%0.191SC..Hα-helixtrans-63.8-44.2175-63.20000111.7I308 I309 A315 I316I308-S312 WeakPolarHBondContact O-CB 3.33Å; I308-S312 PolarHBondContact O-N 3.14Å; I308-S312 PolarHBondContact O-OG 3.07Å; I308-S312 VanDerWaalsContact O-OG 3.08Å; I309-S312 PolarHBondContact O-N 3.5Å; S312-A315 PolarHBondContact O-N 2.89Å; S312-I316 WeakPolarHBondContact O-CB 3.41Å; S312-I316 VanDerWaalsContact O-CG1 3.27Å; S312-I316 WeakPolarHBondContact O-CG1 3.38Å; S312-I316 PolarHBondContact O-N 3.29Å
313L96Very high91.6Very high54 Ų5436.7 Ų36.728%0.28319%0.193SC..Hα-helixtrans-63.7-41.4177.2-71172.2000111.5I309 V310 S317 Y357 V361I309-L313 HydrophobicContact CG2-CD1 3.85Å; I309-L313 HydrophobicContact CG2-CG 4.37Å; I309-L313 WeakPolarHBondContact O-CB 3.44Å; I309-L313 VanDerWaalsContact O-CG 3.32Å; I309-L313 WeakPolarHBondContact O-CG 3.47Å; I309-L313 PolarHBondContact O-N 2.87Å; V310-L313 PolarHBondContact O-N 2.91Å; L313-S317 WeakPolarHBondContact O-CB 3.29Å; L313-S317 PolarHBondContact O-N 2.7Å; L313-S317 PolarHBondContact O-OG 2.97Å; L313-Y357 HydrophobicContact CB-CD2 3.72Å; L313-Y357 HydrophobicContact CB-CE2 4.4Å; L313-Y357 HydrophobicContact CB-CG 4.16Å; L313-Y357 HydrophobicContact CD1-CD1 4.36Å; L313-Y357 HydrophobicContact CD1-CD2 4.3Å; L313-Y357 HydrophobicContact CD1-CG 3.89Å; L313-Y357 HydrophobicContact CG-CD2 4.44Å; L313-V361 HydrophobicContact CD1-CG2 4.02Å
314Y95Very high91.8Very high19 Ų1934.7 Ų34.78%0.07518%0.182CC..Hα-helixtrans-58.6-50.7172.2175.8-97.7000111.7V128 C131 A132 H135 V310 A311 I316 S317 Q318 A354V128-Y314 PolarHBondContact O-OH 2.94Å; C131-Y314 HydrophobicContact CB-CE2 3.76Å; A132-Y314 HydrophobicContact CB-CE1 4.47Å; A132-Y314 PolarHBondContact N-OH 3.5Å; H135-Y314 AromaticContact CD2-CD1 3.54Å; H135-Y314 AromaticContact CD2-CE1 3.92Å; H135-Y314 AromaticContact CD2-CG 3.6Å; H135-Y314 AromaticContact NE2-CD1 3.88Å; H135-Y314 AromaticContact NE2-CD2 3.68Å; H135-Y314 AromaticContact NE2-CG 3.42Å; V310-Y314 PolarHBondContact O-N 3.36Å; A311-Y314 PolarHBondContact O-N 2.98Å; Y314-I316 PolarHBondContact O-N 3.39Å; Y314-S317 PolarHBondContact O-N 3.1Å; Y314-Q318 HydrophobicContact CD2-CG 4.06Å; Y314-Q318 HydrophobicContact CE1-CG 4.22Å; Y314-Q318 HydrophobicContact CE2-CG 3.73Å; Y314-Q318 HydrophobicContact CG-CG 4.44Å; Y314-Q318 WeakPolarHBondContact O-CB 3.49Å; Y314-Q318 VanDerWaalsContact O-CG 3.31Å; Y314-Q318 WeakPolarHBondContact O-CG 3.35Å; Y314-Q318 PolarHBondContact O-N 3.15Å; Y314-A354 HydrophobicContact CD2-CB 4.42Å
315A95Very high91.6Very high14 Ų1437.5 Ų37.512%0.11619%0.193CC..Hα-helixtrans-60.6-41.7-178.800000113.3Y262 L266 A311 S312 L319Y262-A315 WeakPolarHBondContact CE2-O 3.44Å; Y262-A315 PolarHBondContact OH-O 3.43Å; L266-A315 HydrophobicContact CD1-CB 3.71Å; A311-A315 WeakPolarHBondContact O-CB 3.46Å; A311-A315 PolarHBondContact O-N 2.64Å; S312-A315 PolarHBondContact O-N 2.89Å; A315-L319 PolarHBondContact O-N 3.04Å
316I95.2Very high91.3Very high113 Ų11334.8 Ų34.858%0.57918%0.184SC*.Hα-helixtrans-68.4-42.2177.6-67.9165.3000110.5S312 Y314 Q318 L319 P320S312-I316 WeakPolarHBondContact O-CB 3.41Å; S312-I316 VanDerWaalsContact O-CG1 3.27Å; S312-I316 WeakPolarHBondContact O-CG1 3.38Å; S312-I316 PolarHBondContact O-N 3.29Å; Y314-I316 PolarHBondContact O-N 3.39Å; I316-Q318 VanDerWaalsContact C-N 3.34Å; I316-Q318 PolarHBondContact O-N 2.94Å; I316-L319 WeakPolarHBondContact O-CB 3.44Å; I316-L319 PolarHBondContact O-N 3.43Å; I316-P320 VanDerWaalsContact O-CD 3.29Å; I316-P320 WeakPolarHBondContact O-CD 3.36Å
317S95.6Very high91Very high9 Ų938.5 Ų38.56%0.06320%0.203CC..Hα-helixtrans-73-27.9-174.6-57.80000113.3L313 Y314 S350 A351 Y357L313-S317 WeakPolarHBondContact O-CB 3.29Å; L313-S317 PolarHBondContact O-N 2.7Å; L313-S317 PolarHBondContact O-OG 2.97Å; Y314-S317 PolarHBondContact O-N 3.1Å; S317-S350 WeakPolarHBondContact CB-O 3.46Å; S317-S350 CarbonylContact O-C 3.59Å; S317-S350 WeakPolarHBondContact O-CB 3.41Å; S317-S350 PolarHBondContact O-OG 2.93Å; S317-A351 PolarHBondContact O-N 3.15Å; S317-Y357 VanDerWaalsContact OG-CE2 3.29Å; S317-Y357 WeakPolarHBondContact OG-CE2 3.37Å
318Q93.6Very high90.4Very high2 Ų238.8 Ų38.81%0.00920%0.204CC..Hα-helixtrans-85.6-20176.2-66.9-61.8-24.200113.2Y262 Y314 I316 R321 H322 A351Y262-Q318 HydrophobicContact CD2-CB 4.39Å; Y262-Q318 HydrophobicContact CE2-CB 4.19Å; Y314-Q318 HydrophobicContact CD2-CG 4.06Å; Y314-Q318 HydrophobicContact CE1-CG 4.22Å; Y314-Q318 HydrophobicContact CE2-CG 3.73Å; Y314-Q318 HydrophobicContact CG-CG 4.44Å; Y314-Q318 WeakPolarHBondContact O-CB 3.49Å; Y314-Q318 VanDerWaalsContact O-CG 3.31Å; Y314-Q318 WeakPolarHBondContact O-CG 3.35Å; Y314-Q318 PolarHBondContact O-N 3.15Å; I316-Q318 VanDerWaalsContact C-N 3.34Å; I316-Q318 PolarHBondContact O-N 2.94Å; Q318-R321 PolarHBondContact O-N 3.29Å; Q318-R321 VanDerWaalsContact OE1-CZ 3.27Å; Q318-H322 PolarHBondContact O-CD2 2.92Å; Q318-H322 VanDerWaalsContact O-CD2 3.23Å; Q318-H322 PolarHBondContact O-N 2.93Å; Q318-A351 PolarHBondContact NE2-O 2.93Å
319L92.9Very high89.4Confident69 Ų6939.6 Ų39.636%0.36121%0.208SC..Hα-helixtrans-55.3-47.6-177.2179.963.7000113.3Y262 A315 I316 R321 H322 I323Y262-L319 HydrophobicContact CE1-CD1 3.78Å; Y262-L319 WeakPolarHBondContact OH-CB 3.11Å; Y262-L319 WeakPolarHBondContact OH-CD1 3.23Å; A315-L319 PolarHBondContact O-N 3.04Å; I316-L319 WeakPolarHBondContact O-CB 3.44Å; I316-L319 PolarHBondContact O-N 3.43Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 3.46Å; L319-H322 PolarHBondContact O-N 3.25Å; L319-H322 VanDerWaalsContact O-N 3.15Å; L319-I323 HydrophobicContact CD1-CD1 3.83Å; L319-I323 HydrophobicContact CD1-CG1 3.97Å; L319-I323 HydrophobicContact CD2-CD1 4.23Å; L319-I323 HydrophobicContact CG-CD1 3.66Å; L319-I323 HydrophobicContact CG-CG1 4.22Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 3.12Å
320P92.3Very high88.4Confident39 Ų3942.5 Ų42.525%0.25322%0.224SC..Hα-helixtrans-57.9-42.2-178.1-25.935.9000112.7I316 H322 I323 I324 C347I316-P320 VanDerWaalsContact O-CD 3.29Å; I316-P320 WeakPolarHBondContact O-CD 3.36Å; P320-H322 PolarHBondContact O-N 3.05Å; P320-I323 PolarHBondContact O-N 2.93Å; P320-I324 PolarHBondContact O-N 3.11Å; P320-C347 HydrophobicContact CB-CB 4.34Å; P320-C347 VanDerWaalsContact CB-SG 3.53Å; P320-C347 PolarHBondContact O-SG 3.06Å; P320-C347 VanDerWaalsContact O-SG 3.34Å
321R88.9Confident87.6Confident22 Ų2248.9 Ų48.98%0.08325%0.251CS..Hα-helixtrans-58.8-46.8177.1-175.7175.659.789.113.7111.2Q318 L319 I323 I324 Y325 C347Q318-R321 PolarHBondContact O-N 3.29Å; Q318-R321 VanDerWaalsContact OE1-CZ 3.27Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 3.46Å; R321-I323 PolarHBondContact O-N 3.09Å; R321-I324 WeakPolarHBondContact O-CG2 3.38Å; R321-I324 PolarHBondContact O-N 3.41Å; R321-Y325 HydrophobicContact CG-CD2 3.87Å; R321-Y325 HydrophobicContact CG-CE2 3.7Å; R321-Y325 WeakPolarHBondContact O-CD2 3.37Å; R321-Y325 PolarHBondContact O-N 3.27Å; R321-Y325 VanDerWaalsContact O-N 3.14Å; R321-C347 HydrophobicContact CB-CB 4.18Å
322H88.1Confident86.5Confident10 Ų1053 Ų535%0.04628%0.278CS..Hα-helixtrans-68.5-34.2178.5-69.6-66.6000113.3Q261 Y262 Q318 L319 P320 L326Q261-H322 PolarHBondContact OE1-CE1 3.07Å; Y262-H322 AromaticContact CD2-CD2 3.35Å; Y262-H322 WeakPolarHBondContact CD2-CD2 3.35Å; Y262-H322 AromaticContact CD2-NE2 3.71Å; Y262-H322 AromaticContact CG-CD2 3.47Å; Y262-H322 VanDerWaalsContact CG-CD2 3.47Å; Y262-H322 AromaticContact CG-CG 3.97Å; Y262-H322 AromaticContact CG-NE2 3.87Å; Q318-H322 PolarHBondContact O-CD2 2.92Å; Q318-H322 VanDerWaalsContact O-CD2 3.23Å; Q318-H322 PolarHBondContact O-N 2.93Å; L319-H322 PolarHBondContact O-N 3.25Å; L319-H322 VanDerWaalsContact O-N 3.15Å; P320-H322 PolarHBondContact O-N 3.05Å; H322-L326 WeakPolarHBondContact O-CB 3.38Å; H322-L326 PolarHBondContact O-N 3.13Å
323I87.8Confident85.3Confident83 Ų8355.9 Ų55.943%0.42629%0.289SS..Hα-helixtrans-65-47.5175.1-68.9173.2000110.8L319 P320 R321 Y325 L326 I327L319-I323 HydrophobicContact CD1-CD1 3.83Å; L319-I323 HydrophobicContact CD1-CG1 3.97Å; L319-I323 HydrophobicContact CD2-CD1 4.23Å; L319-I323 HydrophobicContact CG-CD1 3.66Å; L319-I323 HydrophobicContact CG-CG1 4.22Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 3.12Å; P320-I323 PolarHBondContact O-N 2.93Å; R321-I323 PolarHBondContact O-N 3.09Å; I323-Y325 VanDerWaalsContact C-N 3.33Å; I323-Y325 PolarHBondContact O-N 3.08Å; I323-L326 PolarHBondContact O-N 3.45Å; I323-I327 HydrophobicContact CG2-CD1 3.76Å; I323-I327 HydrophobicContact CG2-CG1 4.4Å; I323-I327 WeakPolarHBondContact O-CG1 3.43Å; I323-I327 PolarHBondContact O-N 2.92Å
324I84.8Confident83.9Confident12 Ų1253.5 Ų53.56%0.06228%0.277CS..Hα-helixtrans-63.6-41.4-178.6-163.5166.6000110.9P320 R321 L326 I327 T328 I340 W344 C347P320-I324 PolarHBondContact O-N 3.11Å; R321-I324 WeakPolarHBondContact O-CG2 3.38Å; R321-I324 PolarHBondContact O-N 3.41Å; I324-L326 VanDerWaalsContact C-N 3.35Å; I324-L326 PolarHBondContact O-N 3.48Å; I324-I327 PolarHBondContact O-N 3.22Å; I324-T328 HydrophobicContact CG1-CG2 4.43Å; I324-T328 WeakPolarHBondContact O-CG2 3.1Å; I324-T328 PolarHBondContact O-N 3.27Å; I324-T328 PolarHBondContact O-OG1 2.96Å; I324-T328 VanDerWaalsContact O-OG1 3.11Å; I324-I340 HydrophobicContact CD1-CD1 3.89Å; I324-I340 HydrophobicContact CG1-CD1 4.14Å; I324-W344 HydrophobicContact CG2-CE3 4.33Å; I324-W344 HydrophobicContact CG2-CZ3 4.44Å; I324-C347 HydrophobicContact CG2-CB 4.31Å
325Y81.6Confident82.5Confident69 Ų6958.3 Ų58.327%0.27130%0.298SS..Hα-helixtrans-59.1-43.2173.1-85.7-67.4000112.4R321 I323 I327 T328 M329 W344R321-Y325 HydrophobicContact CG-CD2 3.87Å; R321-Y325 HydrophobicContact CG-CE2 3.7Å; R321-Y325 WeakPolarHBondContact O-CD2 3.37Å; R321-Y325 PolarHBondContact O-N 3.27Å; R321-Y325 VanDerWaalsContact O-N 3.14Å; I323-Y325 VanDerWaalsContact C-N 3.33Å; I323-Y325 PolarHBondContact O-N 3.08Å; Y325-I327 VanDerWaalsContact C-N 3.32Å; Y325-I327 PolarHBondContact O-N 2.96Å; Y325-T328 WeakPolarHBondContact CA-OG1 3.28Å; Y325-T328 PolarHBondContact O-N 2.79Å; Y325-T328 PolarHBondContact O-OG1 3.04Å; Y325-M329 WeakPolarHBondContact O-CB 3.42Å; Y325-M329 WeakPolarHBondContact O-CG 3.46Å; Y325-M329 PolarHBondContact O-N 3.2Å; Y325-W344 HydrophobicContact CE1-CH2 4.46Å; Y325-W344 HydrophobicContact CE1-CZ3 4.47Å; Y325-W344 HydrophobicContact CE2-CH2 4.19Å; Y325-W344 HydrophobicContact CE2-CZ3 4.13Å; Y325-W344 AromaticContact CZ-CH2 3.78Å; Y325-W344 AromaticContact CZ-CZ3 3.98Å; Y325-W344 WeakPolarHBondContact OH-CH2 3.37Å
326L82.7Confident81Confident64 Ų6464.6 Ų64.634%0.33533%0.326SS..Hα-helixtrans-64.3-37.1177.4-17469.8000112.2W255 I258 H322 I323 I324 N330W255-L326 HydrophobicContact CH2-CD1 3.61Å; W255-L326 HydrophobicContact CZ2-CD1 4.05Å; W255-L326 HydrophobicContact CZ3-CD1 4.07Å; I258-L326 HydrophobicContact CD1-CD1 4.35Å; H322-L326 WeakPolarHBondContact O-CB 3.38Å; H322-L326 PolarHBondContact O-N 3.13Å; I323-L326 PolarHBondContact O-N 3.45Å; I324-L326 VanDerWaalsContact C-N 3.35Å; I324-L326 PolarHBondContact O-N 3.48Å; L326-N330 PolarHBondContact O-N 3.34Å; L326-N330 PolarHBondContact O-ND2 3.47Å
327I82Confident79.8Confident84 Ų8466.2 Ų66.243%0.43132%0.324SS..Hα-helixtrans-67.7-47.5177.2-68.4167.8000110.3I323 I324 Y325 M329 N330 K331 A334I323-I327 HydrophobicContact CG2-CD1 3.76Å; I323-I327 HydrophobicContact CG2-CG1 4.4Å; I323-I327 WeakPolarHBondContact O-CG1 3.43Å; I323-I327 PolarHBondContact O-N 2.92Å; I324-I327 PolarHBondContact O-N 3.22Å; Y325-I327 VanDerWaalsContact C-N 3.32Å; Y325-I327 PolarHBondContact O-N 2.96Å; I327-M329 VanDerWaalsContact C-N 3.26Å; I327-M329 PolarHBondContact O-N 2.96Å; I327-N330 PolarHBondContact O-N 2.88Å; I327-K331 PolarHBondContact O-N 3.37Å; I327-A334 HydrophobicContact CG2-CB 4.12Å
328T75.8Confident78.6Confident12 Ų1270.7 Ų70.77%0.07435%0.348CS..Hα-helixtrans-64.8-31.7-178.1530000112.2I324 Y325 K331 F335 I340I324-T328 HydrophobicContact CG1-CG2 4.43Å; I324-T328 WeakPolarHBondContact O-CG2 3.1Å; I324-T328 PolarHBondContact O-N 3.27Å; I324-T328 PolarHBondContact O-OG1 2.96Å; I324-T328 VanDerWaalsContact O-OG1 3.11Å; Y325-T328 WeakPolarHBondContact CA-OG1 3.28Å; Y325-T328 PolarHBondContact O-N 2.79Å; Y325-T328 PolarHBondContact O-OG1 3.04Å; T328-K331 CarbonylContact O-C 3.56Å; T328-F335 HydrophobicContact CG2-CD2 4.23Å; T328-F335 HydrophobicContact CG2-CE1 3.93Å; T328-F335 HydrophobicContact CG2-CE2 3.55Å; T328-F335 HydrophobicContact CG2-CZ 3.37Å; T328-I340 HydrophobicContact CG2-CD1 4.5Å
329M71.9Confident77.9Confident54 Ų5474.5 Ų74.527%0.26637%0.371SS..Hα-helixtrans-69.2-36.9174.8-73.1-63.7107.300113.6N254 Y325 I327N254-M329 HydrophobicContact CB-CG 4.29Å; N254-M329 HydrophobicContact CB-SD 3.95Å; N254-M329 PolarHBondContact ND2-SD 3.45Å; Y325-M329 WeakPolarHBondContact O-CB 3.42Å; Y325-M329 WeakPolarHBondContact O-CG 3.46Å; Y325-M329 PolarHBondContact O-N 3.2Å; I327-M329 VanDerWaalsContact C-N 3.26Å; I327-M329 PolarHBondContact O-N 2.96Å
330N73.7Confident77.2Confident103 Ų10372.7 Ų72.755%0.55136%0.361SS*.Hα-helixtrans-89.4-21.1-177.3-70.4-57.1000113.3L326 I327L326-N330 PolarHBondContact O-N 3.34Å; L326-N330 PolarHBondContact O-ND2 3.47Å; I327-N330 PolarHBondContact O-N 2.88Å
331K77.4Confident76.6Confident139 Ų13971.9 Ų71.960%0.60436%0.355SS*.  trans-142.885.8-179.1-67.2-169.6179.5-1770109.6I327 T328 D333 A334I327-K331 PolarHBondContact O-N 3.37Å; T328-K331 CarbonylContact O-C 3.56Å; K331-D333 PolarHBondContact O-N 3.11Å; K331-A334 HydrophobicContact CB-CB 4.41Å; K331-A334 WeakPolarHBondContact O-CB 3.26Å; K331-A334 PolarHBondContact O-N 3.34Å
332P70.1Confident76.4Confident86 Ų8676.6 Ų76.656%0.55837%0.373SS*.G310 helixtrans-58.2-31.8178.122.9-32.7000112.1A334 F335P332-A334 PolarHBondContact O-N 3.23Å; P332-F335 WeakPolarHBondContact O-CD2 3.49Å; P332-F335 PolarHBondContact O-N 3.48Å; P332-F335 VanDerWaalsContact O-N 3.09Å
333D70.8Confident76.3Confident116 Ų11678.5 Ų78.562%0.6239%0.388SS*.G310 helixtrans-59.6-14.7175.1-48.5-20.2000113.7K331 F335 E336K331-D333 PolarHBondContact O-N 3.11Å; D333-F335 PolarHBondContact O-N 2.98Å; D333-E336 PolarHBondContact O-N 3.3Å; D333-E336 VanDerWaalsContact O-N 3.16Å
334A67.3Low76.2Confident4 Ų477.3 Ų77.33%0.03338%0.378CS..G310 helixtrans-62.8-23.217500000112.9I327 K331 P332 E336I327-A334 HydrophobicContact CG2-CB 4.12Å; K331-A334 HydrophobicContact CB-CB 4.41Å; K331-A334 WeakPolarHBondContact O-CB 3.26Å; K331-A334 PolarHBondContact O-N 3.34Å; P332-A334 PolarHBondContact O-N 3.23Å; A334-E336 PolarHBondContact O-N 3.31Å
335F64.1Low76.4Confident120 Ų12077.7 Ų77.753%0.52638%0.38SS..G310 helixtrans-68.4-19.9175.6-78.7-72.4000113.7T328 P332 D333 R337 I340T328-F335 HydrophobicContact CG2-CD2 4.23Å; T328-F335 HydrophobicContact CG2-CE1 3.93Å; T328-F335 HydrophobicContact CG2-CE2 3.55Å; T328-F335 HydrophobicContact CG2-CZ 3.37Å; P332-F335 WeakPolarHBondContact O-CD2 3.49Å; P332-F335 PolarHBondContact O-N 3.48Å; P332-F335 VanDerWaalsContact O-N 3.09Å; D333-F335 PolarHBondContact O-N 2.98Å; F335-R337 PolarHBondContact O-N 2.92Å; F335-I340 HydrophobicContact CD1-CG1 4.08Å; F335-I340 HydrophobicContact CE1-CG1 4.49Å
336E65.1Low76.9Confident147 Ų14779.8 Ų79.869%0.68740%0.395SS*.G310 helixtrans-76.9-11.6-178.6-59.9-16815800113.3D333 A334D333-E336 PolarHBondContact O-N 3.3Å; D333-E336 VanDerWaalsContact O-N 3.16Å; A334-E336 PolarHBondContact O-N 3.31Å
337R70.4Confident77.3Confident147 Ų14777.1 Ų77.156%0.55538%0.382SS*.SBendtrans-81.3132.1177.6-82.8-171.9-84.4-88.5-4111.5F335 T339 I340F335-R337 PolarHBondContact O-N 2.92Å; R337-T339 PolarHBondContact O-N 3.15Å; R337-I340 WeakPolarHBondContact O-CB 3.3Å; R337-I340 VanDerWaalsContact O-CG2 3.26Å; R337-I340 WeakPolarHBondContact O-CG2 3.21Å; R337-I340 PolarHBondContact O-N 3.45Å
338D69.7Low77.8Confident103 Ų10373.5 Ų73.555%0.55136%0.363SS*.THydrogen-bonded Turntrans-55-25.9175.9-67.1-23.3000113.6P4 I340 I341P4-D338 HydrophobicContact CB-CB 4.02Å; P4-D338 HydrophobicContact CG-CB 4.16Å; D338-I340 PolarHBondContact O-N 3.23Å; D338-I341 WeakPolarHBondContact O-CG2 3.41Å
339T77.6Confident78.6Confident82 Ų8274.3 Ų74.350%0.50337%0.367SS..Hα-helixtrans-68.9-16.9178.457.30000114.3R337 I341 Y342 S343R337-T339 PolarHBondContact O-N 3.15Å; T339-I341 VanDerWaalsContact C-N 3.33Å; T339-I341 PolarHBondContact O-N 3.33Å; T339-Y342 PolarHBondContact O-N 3.08Å; T339-S343 WeakPolarHBondContact O-CB 3.25Å; T339-S343 PolarHBondContact O-N 2.87Å; T339-S343 PolarHBondContact O-OG 2.83Å
340I79.9Confident79.7Confident30 Ų3072.7 Ų72.715%0.15436%0.361CS..Hα-helixtrans-66.1-36.7-175.2-160.469.2000111.4I324 T328 F335 R337 D338 Y342 S343 W344I324-I340 HydrophobicContact CD1-CD1 3.89Å; I324-I340 HydrophobicContact CG1-CD1 4.14Å; T328-I340 HydrophobicContact CG2-CD1 4.5Å; F335-I340 HydrophobicContact CD1-CG1 4.08Å; F335-I340 HydrophobicContact CE1-CG1 4.49Å; R337-I340 WeakPolarHBondContact O-CB 3.3Å; R337-I340 VanDerWaalsContact O-CG2 3.26Å; R337-I340 WeakPolarHBondContact O-CG2 3.21Å; R337-I340 PolarHBondContact O-N 3.45Å; D338-I340 PolarHBondContact O-N 3.23Å; I340-Y342 PolarHBondContact O-N 3.37Å; I340-S343 WeakPolarHBondContact O-CB 3.44Å; I340-S343 PolarHBondContact O-N 3.41Å; I340-W344 WeakPolarHBondContact O-CB 3.28Å; I340-W344 PolarHBondContact O-N 3.04Å
341I80Confident80.7Confident22 Ų2267.9 Ų67.911%0.11334%0.335CS..Hα-helixtrans-66.2-41-178.7-163.6166.9000111.7P4 I6 D338 T339 S343 W344 L345P4-I341 HydrophobicContact CG-CB 4.44Å; P4-I341 HydrophobicContact CG-CG2 3.96Å; I6-I341 HydrophobicContact CD1-CD1 3.77Å; I6-I341 HydrophobicContact CD1-CG1 4.08Å; I6-I341 HydrophobicContact CG1-CD1 3.68Å; I6-I341 HydrophobicContact CG1-CG1 4.31Å; D338-I341 WeakPolarHBondContact O-CG2 3.41Å; T339-I341 VanDerWaalsContact C-N 3.33Å; T339-I341 PolarHBondContact O-N 3.33Å; I341-S343 VanDerWaalsContact C-N 3.34Å; I341-W344 PolarHBondContact O-N 3.38Å; I341-L345 WeakPolarHBondContact O-CB 3.35Å; I341-L345 PolarHBondContact O-N 3.17Å
342Y84.6Confident81.5Confident122 Ų12261.3 Ų61.348%0.47831%0.307SS..Hα-helixtrans-69.2-35175.4-61.1-67.9000111.7T339 I340 L346T339-Y342 PolarHBondContact O-N 3.08Å; I340-Y342 PolarHBondContact O-N 3.37Å; Y342-L346 WeakPolarHBondContact O-CB 3.48Å; Y342-L346 PolarHBondContact O-N 3.17Å
343S85.4Confident82.7Confident49 Ų4958 Ų5834%0.34329%0.286SS..Hα-helixtrans-67.9-43.8175.5-55.60000111T339 I340 I341 L346 C347T339-S343 WeakPolarHBondContact O-CB 3.25Å; T339-S343 PolarHBondContact O-N 2.87Å; T339-S343 PolarHBondContact O-OG 2.83Å; I340-S343 WeakPolarHBondContact O-CB 3.44Å; I340-S343 PolarHBondContact O-N 3.41Å; I341-S343 VanDerWaalsContact C-N 3.34Å; S343-L346 PolarHBondContact O-N 3Å; S343-C347 PolarHBondContact O-N 3.47Å; S343-C347 PolarHBondContact O-SG 3.29Å
344W86.4Confident83.9Confident59 Ų5952.8 Ų52.822%0.22326%0.259CS..Hα-helixtrans-59.2-48.2173.5-176.4-111.7000111.3D104 F105 I324 Y325 I340 I341 L346 C347 Q348D104-W344 PolarHBondContact OD2-NE1 3.48Å; F105-W344 AromaticContact CE1-CD1 3.83Å; F105-W344 AromaticContact CZ-CD1 3.53Å; F105-W344 HydrophobicContact CZ-CG 4.49Å; I324-W344 HydrophobicContact CG2-CE3 4.33Å; I324-W344 HydrophobicContact CG2-CZ3 4.44Å; Y325-W344 HydrophobicContact CE1-CH2 4.46Å; Y325-W344 HydrophobicContact CE1-CZ3 4.47Å; Y325-W344 HydrophobicContact CE2-CH2 4.19Å; Y325-W344 HydrophobicContact CE2-CZ3 4.13Å; Y325-W344 AromaticContact CZ-CH2 3.78Å; Y325-W344 AromaticContact CZ-CZ3 3.98Å; Y325-W344 WeakPolarHBondContact OH-CH2 3.37Å; I340-W344 WeakPolarHBondContact O-CB 3.28Å; I340-W344 PolarHBondContact O-N 3.04Å; I341-W344 PolarHBondContact O-N 3.38Å; W344-L346 PolarHBondContact O-N 2.78Å; W344-C347 WeakPolarHBondContact O-CB 3.34Å; W344-C347 PolarHBondContact O-N 3.48Å; W344-C347 VanDerWaalsContact O-N 3.17Å; W344-Q348 HydrophobicContact CD2-CG 4.43Å; W344-Q348 WeakPolarHBondContact O-CG 3.29Å; W344-Q348 PolarHBondContact O-N 3.31Å
345L88.7Confident85.2Confident20 Ų2052.7 Ų52.711%0.10526%0.257CS..Hα-helixtrans-54.2-50174.1175.265000112I14 F105 I341 C347 Q348 L349I14-L345 HydrophobicContact CD1-CD1 4.03Å; I14-L345 HydrophobicContact CD1-CD2 3.52Å; I14-L345 HydrophobicContact CD1-CG 4.41Å; I14-L345 HydrophobicContact CG1-CD1 3.99Å; I14-L345 HydrophobicContact CG1-CD2 3.71Å; I14-L345 HydrophobicContact CG1-CG 4.5Å; I14-L345 HydrophobicContact CG2-CD1 3.73Å; F105-L345 HydrophobicContact CD1-CB 4.25Å; F105-L345 HydrophobicContact CD1-CD1 3.91Å; F105-L345 HydrophobicContact CD2-CD1 4.17Å; F105-L345 HydrophobicContact CE1-CB 3.55Å; F105-L345 HydrophobicContact CE1-CD1 3.77Å; F105-L345 HydrophobicContact CE1-CG 4.24Å; F105-L345 HydrophobicContact CE2-CD1 4.04Å; F105-L345 HydrophobicContact CG-CD1 4.13Å; F105-L345 HydrophobicContact CZ-CB 3.96Å; F105-L345 HydrophobicContact CZ-CD1 3.84Å; I341-L345 WeakPolarHBondContact O-CB 3.35Å; I341-L345 PolarHBondContact O-N 3.17Å; L345-C347 VanDerWaalsContact C-N 3.29Å; L345-C347 PolarHBondContact O-N 2.91Å; L345-Q348 PolarHBondContact O-N 3.45Å; L345-L349 HydrophobicContact CD1-CD1 3.84Å; L345-L349 HydrophobicContact CD1-CG 3.93Å; L345-L349 HydrophobicContact CG-CD1 3.91Å; L345-L349 HydrophobicContact CG-CG 4.33Å; L345-L349 WeakPolarHBondContact O-CB 3.09Å; L345-L349 VanDerWaalsContact O-CG 3.32Å; L345-L349 WeakPolarHBondContact O-CG 3.35Å; L345-L349 PolarHBondContact O-N 2.93Å
346L90.8Very high86.7Confident113 Ų11347.4 Ų47.459%0.59224%0.236SC*.Hα-helixtrans-60-41.5179.5-179.763.4000111.6Y342 S343 W344 S350Y342-L346 WeakPolarHBondContact O-CB 3.48Å; Y342-L346 PolarHBondContact O-N 3.17Å; S343-L346 PolarHBondContact O-N 3Å; W344-L346 PolarHBondContact O-N 2.78Å; L346-S350 VanDerWaalsContact O-CB 3.31Å; L346-S350 WeakPolarHBondContact O-CB 3.43Å; L346-S350 PolarHBondContact O-N 3.4Å; L346-S350 PolarHBondContact O-OG 2.91Å
347C91.9Very high88.2Confident7 Ų743.6 Ų43.65%0.04722%0.215CC..Hα-helixtrans-64.7-41.2177.6-65.40000112.4P320 R321 I324 S343 W344 L345 S350 A351P320-C347 HydrophobicContact CB-CB 4.34Å; P320-C347 VanDerWaalsContact CB-SG 3.53Å; P320-C347 PolarHBondContact O-SG 3.06Å; P320-C347 VanDerWaalsContact O-SG 3.34Å; R321-C347 HydrophobicContact CB-CB 4.18Å; I324-C347 HydrophobicContact CG2-CB 4.31Å; S343-C347 PolarHBondContact O-N 3.47Å; S343-C347 PolarHBondContact O-SG 3.29Å; W344-C347 WeakPolarHBondContact O-CB 3.34Å; W344-C347 PolarHBondContact O-N 3.48Å; W344-C347 VanDerWaalsContact O-N 3.17Å; L345-C347 VanDerWaalsContact C-N 3.29Å; L345-C347 PolarHBondContact O-N 2.91Å; C347-S350 PolarHBondContact O-OG 2.77Å; C347-A351 VanDerWaalsContact O-CB 3.29Å; C347-A351 WeakPolarHBondContact O-CB 3.26Å; C347-A351 PolarHBondContact O-N 3.44Å
348Q92.1Very high89.1Confident8 Ų836.8 Ų36.84%0.03719%0.19CC..Hα-helixtrans-69.3-44.8177.8-64.3-67.357.300111.3F105 W344 L345 S350 A351 W352F105-Q348 HydrophobicContact CE2-CB 4.32Å; F105-Q348 HydrophobicContact CE2-CG 4.31Å; F105-Q348 HydrophobicContact CZ-CB 4.35Å; F105-Q348 HydrophobicContact CZ-CG 4.12Å; W344-Q348 HydrophobicContact CD2-CG 4.43Å; W344-Q348 WeakPolarHBondContact O-CG 3.29Å; W344-Q348 PolarHBondContact O-N 3.31Å; L345-Q348 PolarHBondContact O-N 3.45Å; Q348-S350 PolarHBondContact O-N 3.45Å; Q348-A351 PolarHBondContact O-N 3.12Å; Q348-W352 HydrophobicContact CB-CE3 4.48Å; Q348-W352 HydrophobicContact CB-CH2 4.08Å; Q348-W352 HydrophobicContact CB-CZ2 4.11Å; Q348-W352 HydrophobicContact CB-CZ3 4.25Å; Q348-W352 WeakPolarHBondContact O-CB 3.35Å; Q348-W352 VanDerWaalsContact O-CG 3.26Å; Q348-W352 PolarHBondContact O-N 2.84Å
349L93.5Very high90.2Very high30 Ų3032.1 Ų32.116%0.15717%0.165CC..Hα-helixtrans-61.8-43175.7-70.7179000111.7I17 V18 L21 L345 W352 S353I17-L349 HydrophobicContact CG2-CD1 4.39Å; I17-L349 HydrophobicContact CG2-CD2 3.91Å; V18-L349 HydrophobicContact CG2-CD2 3.55Å; L21-L349 HydrophobicContact CD1-CD2 4.12Å; L345-L349 HydrophobicContact CD1-CD1 3.84Å; L345-L349 HydrophobicContact CD1-CG 3.93Å; L345-L349 HydrophobicContact CG-CD1 3.91Å; L345-L349 HydrophobicContact CG-CG 4.33Å; L345-L349 WeakPolarHBondContact O-CB 3.09Å; L345-L349 VanDerWaalsContact O-CG 3.32Å; L345-L349 WeakPolarHBondContact O-CG 3.35Å; L345-L349 PolarHBondContact O-N 2.93Å; L349-W352 HydrophobicContact CD2-CE3 4.35Å; L349-W352 PolarHBondContact O-N 3.44Å; L349-S353 VanDerWaalsContact O-CB 3.24Å; L349-S353 WeakPolarHBondContact O-CB 3.13Å; L349-S353 PolarHBondContact O-N 3.48Å; L349-S353 PolarHBondContact O-OG 3.25Å
350S94.4Very high91Very high20 Ų2032.8 Ų32.814%0.1417%0.165CC..Hα-helixtrans-61.9-47.9175.875.30000110.3S317 L346 C347 Q348 W352 S353 A354S317-S350 WeakPolarHBondContact CB-O 3.46Å; S317-S350 CarbonylContact O-C 3.59Å; S317-S350 WeakPolarHBondContact O-CB 3.41Å; S317-S350 PolarHBondContact O-OG 2.93Å; L346-S350 VanDerWaalsContact O-CB 3.31Å; L346-S350 WeakPolarHBondContact O-CB 3.43Å; L346-S350 PolarHBondContact O-N 3.4Å; L346-S350 PolarHBondContact O-OG 2.91Å; C347-S350 PolarHBondContact O-OG 2.77Å; Q348-S350 PolarHBondContact O-N 3.45Å; S350-W352 PolarHBondContact O-N 3.18Å; S350-S353 PolarHBondContact O-N 3.24Å; S350-S353 PolarHBondContact O-OG 3.01Å; S350-A354 PolarHBondContact O-N 2.93Å
351A93.9Very high91.6Very high2 Ų231.7 Ų31.72%0.01716%0.16CC..Hα-helixtrans-60.2-45.3178.700000112.9S317 Q318 C347 Q348 A354S317-A351 PolarHBondContact O-N 3.15Å; Q318-A351 PolarHBondContact NE2-O 2.93Å; C347-A351 VanDerWaalsContact O-CB 3.29Å; C347-A351 WeakPolarHBondContact O-CB 3.26Å; C347-A351 PolarHBondContact O-N 3.44Å; Q348-A351 PolarHBondContact O-N 3.12Å; A351-A354 WeakPolarHBondContact O-CB 3.37Å; A351-A354 PolarHBondContact O-N 2.72Å
352W94.7Very high92Very high1 Ų131 Ų310%0.00416%0.155CC..Hα-helixtrans-70.2-35.5178.8-63.3-24000112.8V18 L21 H92 I93 A97 T100 L101 F105 Q348 L349 S350 A354 T355V18-W352 HydrophobicContact CG1-CE3 4.26Å; V18-W352 HydrophobicContact CG1-CZ3 4.2Å; V18-W352 HydrophobicContact CG2-CE3 3.99Å; V18-W352 HydrophobicContact CG2-CZ3 3.74Å; L21-W352 HydrophobicContact CD1-CB 4.42Å; H92-W352 AromaticContact CD2-CD1 3.8Å; H92-W352 AromaticContact CD2-NE1 4Å; H92-W352 AromaticContact NE2-CD1 3.43Å; H92-W352 AromaticContact NE2-NE1 3.59Å; I93-W352 HydrophobicContact CD1-CB 4.07Å; I93-W352 HydrophobicContact CD1-CG 4.45Å; A97-W352 HydrophobicContact CB-CD2 3.78Å; A97-W352 HydrophobicContact CB-CE3 4.29Å; A97-W352 HydrophobicContact CB-CG 4.12Å; A97-W352 HydrophobicContact CB-CH2 4.47Å; A97-W352 HydrophobicContact CB-CZ2 4Å; T100-W352 HydrophobicContact CG2-CH2 4.17Å; T100-W352 HydrophobicContact CG2-CZ2 3.87Å; L101-W352 HydrophobicContact CB-CH2 4.42Å; F105-W352 HydrophobicContact CE2-CH2 4.29Å; Q348-W352 HydrophobicContact CB-CE3 4.48Å; Q348-W352 HydrophobicContact CB-CH2 4.08Å; Q348-W352 HydrophobicContact CB-CZ2 4.11Å; Q348-W352 HydrophobicContact CB-CZ3 4.25Å; Q348-W352 WeakPolarHBondContact O-CB 3.35Å; Q348-W352 VanDerWaalsContact O-CG 3.26Å; Q348-W352 PolarHBondContact O-N 2.84Å; L349-W352 HydrophobicContact CD2-CE3 4.35Å; L349-W352 PolarHBondContact O-N 3.44Å; S350-W352 PolarHBondContact O-N 3.18Å; W352-A354 PolarHBondContact O-N 2.88Å; W352-A354 VanDerWaalsContact O-N 3.16Å; W352-T355 WeakPolarHBondContact O-CB 3.17Å; W352-T355 WeakPolarHBondContact O-CG2 3.35Å; W352-T355 PolarHBondContact O-N 3.49Å; W352-T355 VanDerWaalsContact O-N 3.13Å; W352-T355 PolarHBondContact O-OG1 3.46Å
353S95.3Very high92.2Very high16 Ų1628.4 Ų28.411%0.11215%0.149CC..Hα-helixtrans-59.3-26175.675.60000112.9L349 S350 T355 C356 Y357L349-S353 VanDerWaalsContact O-CB 3.24Å; L349-S353 WeakPolarHBondContact O-CB 3.13Å; L349-S353 PolarHBondContact O-N 3.48Å; L349-S353 PolarHBondContact O-OG 3.25Å; S350-S353 PolarHBondContact O-N 3.24Å; S350-S353 PolarHBondContact O-OG 3.01Å; S353-T355 PolarHBondContact O-N 3.48Å; S353-T355 VanDerWaalsContact O-N 3.12Å; S353-C356 WeakPolarHBondContact O-CB 2.97Å; S353-C356 PolarHBondContact O-N 2.95Å; S353-Y357 WeakPolarHBondContact CB-OH 3.15Å; S353-Y357 WeakPolarHBondContact O-CE2 3.45Å; S353-Y357 PolarHBondContact OG-OH 3.13Å
354A95.2Very high92.3Very high7 Ų733.7 Ų33.76%0.05816%0.162CC..Hα-helixtrans-53.9-33.6176.200000113Y314 S350 A351 W352 C356 Y357Y314-A354 HydrophobicContact CD2-CB 4.42Å; S350-A354 PolarHBondContact O-N 2.93Å; A351-A354 WeakPolarHBondContact O-CB 3.37Å; A351-A354 PolarHBondContact O-N 2.72Å; W352-A354 PolarHBondContact O-N 2.88Å; W352-A354 VanDerWaalsContact O-N 3.16Å; A354-C356 PolarHBondContact O-N 3.42Å; A354-Y357 VanDerWaalsContact CA-CD2 3.47Å; A354-Y357 HydrophobicContact CB-CD2 4.49Å; A354-Y357 PolarHBondContact O-N 2.89Å
355T96Very high92.1Very high1 Ų132.3 Ų32.31%0.00616%0.158CC..Hα-helixtrans-68.9-21.4-179.868.60000113.3S25 N29 D89 H92 W352 S353S25-T355 VanDerWaalsContact CB-OG1 3.31Å; S25-T355 WeakPolarHBondContact CB-OG1 3.38Å; S25-T355 WeakPolarHBondContact OG-CB 3.26Å; S25-T355 PolarHBondContact OG-OG1 3.32Å; N29-T355 PolarHBondContact ND2-O 2.9Å; D89-T355 HydrophobicContact CB-CG2 4.06Å; H92-T355 HydrophobicContact CB-CG2 4.17Å; W352-T355 WeakPolarHBondContact O-CB 3.17Å; W352-T355 WeakPolarHBondContact O-CG2 3.35Å; W352-T355 PolarHBondContact O-N 3.49Å; W352-T355 VanDerWaalsContact O-N 3.13Å; W352-T355 PolarHBondContact O-OG1 3.46Å; S353-T355 PolarHBondContact O-N 3.48Å; S353-T355 VanDerWaalsContact O-N 3.12Å
356C95.9Very high91.6Very high10 Ų1032.4 Ų32.47%0.06816%0.161CC..Hα-helixtrans-83.1-27.5-179.9-63.80000112.7S353 A354 N358 P359 I360S353-C356 WeakPolarHBondContact O-CB 2.97Å; S353-C356 PolarHBondContact O-N 2.95Å; A354-C356 PolarHBondContact O-N 3.42Å; C356-N358 VanDerWaalsContact C-N 3.33Å; C356-N358 PolarHBondContact O-N 3.46Å; C356-P359 WeakPolarHBondContact O-CD 3.43Å; C356-I360 WeakPolarHBondContact O-CD1 3.35Å; C356-I360 WeakPolarHBondContact O-CG1 3.37Å
357Y94.7Very high90.8Very high66 Ų6633.8 Ų33.826%0.25916%0.158SC..Hα-helixtrans-68.5-31.4-172.2-58-43000113.4L313 S317 S353 A354 I360 V361L313-Y357 HydrophobicContact CB-CD2 3.72Å; L313-Y357 HydrophobicContact CB-CE2 4.4Å; L313-Y357 HydrophobicContact CB-CG 4.16Å; L313-Y357 HydrophobicContact CD1-CD1 4.36Å; L313-Y357 HydrophobicContact CD1-CD2 4.3Å; L313-Y357 HydrophobicContact CD1-CG 3.89Å; L313-Y357 HydrophobicContact CG-CD2 4.44Å; S317-Y357 VanDerWaalsContact OG-CE2 3.29Å; S317-Y357 WeakPolarHBondContact OG-CE2 3.37Å; S353-Y357 WeakPolarHBondContact CB-OH 3.15Å; S353-Y357 WeakPolarHBondContact O-CE2 3.45Å; S353-Y357 PolarHBondContact OG-OH 3.13Å; A354-Y357 VanDerWaalsContact CA-CD2 3.47Å; A354-Y357 HydrophobicContact CB-CD2 4.49Å; A354-Y357 PolarHBondContact O-N 2.89Å; Y357-I360 PolarHBondContact O-N 2.94Å; Y357-V361 WeakPolarHBondContact O-CB 3.48Å; Y357-V361 VanDerWaalsContact O-CG2 3.24Å; Y357-V361 WeakPolarHBondContact O-CG2 3.36Å; Y357-V361 PolarHBondContact O-N 3.37Å
358N91.3Very high89.7Confident5 Ų536.2 Ų36.23%0.02717%0.173CC..Hα-helixtrans-58-59.9-176.7-71.7-16.8000111.9L85 D89 V310 C356 I360 V361 Y362L85-N358 WeakPolarHBondContact CD2-ND2 3.2Å; L85-N358 WeakPolarHBondContact CG-ND2 3.39Å; D89-N358 PolarHBondContact OD2-ND2 2.98Å; V310-N358 WeakPolarHBondContact CG1-OD1 3.36Å; V310-N358 WeakPolarHBondContact CG2-OD1 3.37Å; C356-N358 VanDerWaalsContact C-N 3.33Å; C356-N358 PolarHBondContact O-N 3.46Å; N358-I360 VanDerWaalsContact C-N 3.32Å; N358-I360 PolarHBondContact O-N 3.28Å; N358-V361 PolarHBondContact O-N 3.38Å; N358-Y362 HydrophobicContact CB-CE2 4.15Å; N358-Y362 VanDerWaalsContact O-CD1 3.24Å; N358-Y362 WeakPolarHBondContact O-CD1 3.21Å; N358-Y362 VanDerWaalsContact O-CD2 3.24Å; N358-Y362 WeakPolarHBondContact O-CD2 3.41Å; N358-Y362 PolarHBondContact O-N 3.26Å
359P92.7Very high88.9Confident5 Ų536.3 Ų36.33%0.03217%0.173CC..Hα-helixtrans-54.2-44.1173.2-26.332.7000113.8G28 V32 C356 V361 Y362 I363G28-P359 VanDerWaalsContact CA-CG 3.42Å; V32-P359 HydrophobicContact CG2-CB 4.13Å; V32-P359 HydrophobicContact CG2-CG 4.07Å; C356-P359 WeakPolarHBondContact O-CD 3.43Å; P359-V361 PolarHBondContact O-N 2.96Å; P359-Y362 PolarHBondContact O-N 2.9Å; P359-I363 VanDerWaalsContact O-CG1 3.26Å; P359-I363 WeakPolarHBondContact O-CG1 3.3Å; P359-I363 PolarHBondContact O-N 3.07Å
360I93.5Very high88.5Confident96 Ų9640.5 Ų40.549%0.49219%0.187SC..Hα-helixtrans-59.7-49.3-178-66.7169.7000110.5C356 Y357 N358 Y362 I363 W364C356-I360 WeakPolarHBondContact O-CD1 3.35Å; C356-I360 WeakPolarHBondContact O-CG1 3.37Å; Y357-I360 PolarHBondContact O-N 2.94Å; N358-I360 VanDerWaalsContact C-N 3.32Å; N358-I360 PolarHBondContact O-N 3.28Å; I360-Y362 VanDerWaalsContact C-N 3.29Å; I360-Y362 PolarHBondContact O-N 2.87Å; I360-I363 PolarHBondContact O-N 2.96Å; I360-W364 WeakPolarHBondContact O-CB 3.35Å; I360-W364 PolarHBondContact O-N 2.94Å
361V92.8Very high87.6Confident7 Ų744.7 Ų44.74%0.04220%0.199CC..Hα-helixtrans-64.9-36.3179.9173.30000110.8M306 I309 V310 L313 Y357 N358 P359 W364 M365M306-V361 HydrophobicContact CB-CG1 4.44Å; M306-V361 HydrophobicContact CG-CG1 3.52Å; I309-V361 HydrophobicContact CB-CG1 4.4Å; I309-V361 HydrophobicContact CG2-CG1 4.2Å; I309-V361 HydrophobicContact CG2-CG2 3.78Å; V310-V361 HydrophobicContact CG2-CB 3.86Å; V310-V361 HydrophobicContact CG2-CG1 3.79Å; V310-V361 HydrophobicContact CG2-CG2 4.19Å; L313-V361 HydrophobicContact CD1-CG2 4.02Å; Y357-V361 WeakPolarHBondContact O-CB 3.48Å; Y357-V361 VanDerWaalsContact O-CG2 3.24Å; Y357-V361 WeakPolarHBondContact O-CG2 3.36Å; Y357-V361 PolarHBondContact O-N 3.37Å; N358-V361 PolarHBondContact O-N 3.38Å; P359-V361 PolarHBondContact O-N 2.96Å; V361-W364 PolarHBondContact O-N 3.31Å; V361-M365 HydrophobicContact CG1-CG 4.44Å; V361-M365 HydrophobicContact CG1-SD 4.25Å; V361-M365 WeakPolarHBondContact O-CB 3.33Å; V361-M365 WeakPolarHBondContact O-CG 3.42Å; V361-M365 PolarHBondContact O-N 3.42Å
362Y88.2Confident86.9Confident6 Ų645.1 Ų45.12%0.02420%0.201CC..Hα-helixtrans-67.8-43.8176.8-57.9-14.9000111.9V32 L82 M306 V310 N358 P359 I360 W364 S366V32-Y362 HydrophobicContact CB-CD2 4.47Å; V32-Y362 HydrophobicContact CG1-CD2 3.96Å; V32-Y362 HydrophobicContact CG1-CE2 3.91Å; V32-Y362 HydrophobicContact CG2-CD2 3.58Å; V32-Y362 HydrophobicContact CG2-CE2 4.08Å; L82-Y362 WeakPolarHBondContact CD2-OH 3.45Å; M306-Y362 HydrophobicContact CE-CD1 2.98Å; M306-Y362 HydrophobicContact CE-CE1 3.13Å; M306-Y362 HydrophobicContact CE-CG 3.92Å; M306-Y362 HydrophobicContact CG-CD1 3.87Å; M306-Y362 HydrophobicContact CG-CE1 4.27Å; M306-Y362 HydrophobicContact SD-CD1 3.41Å; M306-Y362 WeakPolarHBondContact SD-CD1 3.45Å; M306-Y362 HydrophobicContact SD-CE1 4.1Å; M306-Y362 HydrophobicContact SD-CG 4.25Å; V310-Y362 HydrophobicContact CG2-CE1 3.97Å; N358-Y362 HydrophobicContact CB-CE2 4.15Å; N358-Y362 VanDerWaalsContact O-CD1 3.24Å; N358-Y362 WeakPolarHBondContact O-CD1 3.21Å; N358-Y362 VanDerWaalsContact O-CD2 3.24Å; N358-Y362 WeakPolarHBondContact O-CD2 3.41Å; N358-Y362 PolarHBondContact O-N 3.26Å; P359-Y362 PolarHBondContact O-N 2.9Å; I360-Y362 VanDerWaalsContact C-N 3.29Å; I360-Y362 PolarHBondContact O-N 2.87Å; Y362-W364 VanDerWaalsContact C-N 3.35Å; Y362-S366 WeakPolarHBondContact O-CA 3.48Å; Y362-S366 WeakPolarHBondContact O-CB 3.42Å; Y362-S366 PolarHBondContact O-N 3.4Å
363I88.5Confident86.2Confident69 Ų6945.7 Ų45.735%0.35420%0.204SC..Hα-helixtrans-62.2-44.3174.9-67.4166.9000110.2P359 I360 F369 R370 L373P359-I363 VanDerWaalsContact O-CG1 3.26Å; P359-I363 WeakPolarHBondContact O-CG1 3.3Å; P359-I363 PolarHBondContact O-N 3.07Å; I360-I363 PolarHBondContact O-N 2.96Å; I363-F369 HydrophobicContact CD1-CE1 4.48Å; I363-F369 HydrophobicContact CG1-CD1 3.85Å; I363-F369 HydrophobicContact CG1-CE1 3.61Å; I363-R370 WeakPolarHBondContact O-CD 3.14Å; I363-R370 WeakPolarHBondContact O-CG 3.37Å; I363-L373 HydrophobicContact CD1-CD1 4.42Å; I363-L373 HydrophobicContact CG1-CD1 3.89Å
364W88.3Confident85.6Confident159 Ų15947.8 Ų47.860%0.60222%0.219SC*.Hα-helixtrans-66.8-45.3-177.6-178.854.5000112.6I309 I360 V361 Y362 R370I309-W364 HydrophobicContact CD1-CZ3 4.01Å; I360-W364 WeakPolarHBondContact O-CB 3.35Å; I360-W364 PolarHBondContact O-N 2.94Å; V361-W364 PolarHBondContact O-N 3.31Å; Y362-W364 VanDerWaalsContact C-N 3.35Å; W364-R370 PolarHBondContact O-NH1 2.92Å
365M81.4Confident84.8Confident31 Ų3150.3 Ų50.315%0.15323%0.229CC..Hα-helixtrans-106.4-25.6-167-55.3-162.587.300115.4K305 M306 I309 V361 R367K305-M365 HydrophobicContact CB-CE 4.38Å; K305-M365 HydrophobicContact CD-CE 3.52Å; K305-M365 HydrophobicContact CG-CE 3.76Å; M306-M365 HydrophobicContact CB-CB 4.46Å; M306-M365 HydrophobicContact CB-SD 4.38Å; M306-M365 HydrophobicContact CG-CB 4.2Å; I309-M365 HydrophobicContact CD1-CE 3.93Å; I309-M365 HydrophobicContact CD1-SD 3.38Å; I309-M365 WeakPolarHBondContact CD1-SD 3.2Å; V361-M365 HydrophobicContact CG1-CG 4.44Å; V361-M365 HydrophobicContact CG1-SD 4.25Å; V361-M365 WeakPolarHBondContact O-CB 3.33Å; V361-M365 WeakPolarHBondContact O-CG 3.42Å; V361-M365 PolarHBondContact O-N 3.42Å; M365-R367 PolarHBondContact O-N 3.17Å
366S77.9Confident84Confident22 Ų2251.3 Ų51.315%0.15424%0.235CC..  trans-91.398.6-176-175.20000110.7Y362 T368 F369 R370Y362-S366 WeakPolarHBondContact O-CA 3.48Å; Y362-S366 WeakPolarHBondContact O-CB 3.42Å; Y362-S366 PolarHBondContact O-N 3.4Å; S366-T368 PolarHBondContact O-N 3.11Å; S366-F369 WeakPolarHBondContact O-CB 3.09Å; S366-F369 PolarHBondContact O-N 3.05Å; S366-F369 WeakPolarHBondContact OG-CB 3.44Å; S366-F369 PolarHBondContact OG-N 3.14Å; S366-R370 PolarHBondContact O-N 3.45Å
367R73.4Confident83.3Confident142 Ų14256.4 Ų56.454%0.53626%0.256SS..Hα-helixtrans-54.8-37.6172.8-69.6-171.3-179.8-175.7-4112.1M365 R371M365-R367 PolarHBondContact O-N 3.17Å; R367-R371 PolarHBondContact O-N 3.4Å; R367-R371 VanDerWaalsContact O-N 3.08Å
368T70.7Confident82.4Confident58 Ų5857.1 Ų57.136%0.35626%0.264SS..Hα-helixtrans-62-47.3175.1-53.40000110.3S366 R370 R371 E372S366-T368 PolarHBondContact O-N 3.11Å; T368-R370 PolarHBondContact O-N 3.3Å; T368-R371 PolarHBondContact O-N 3.02Å; T368-E372 HydrophobicContact CG2-CG 4.41Å; T368-E372 VanDerWaalsContact O-CG 3.31Å; T368-E372 WeakPolarHBondContact O-CG 3.27Å; T368-E372 PolarHBondContact O-N 2.92Å
369F75.2Confident81.6Confident9 Ų961.5 Ų61.54%0.03929%0.288CS..Hα-helixtrans-59.3-48.1179.4-163.5-97.5000112V32 V35 I363 S366 R371 E372 L373V32-F369 HydrophobicContact CB-CE2 4.28Å; V32-F369 HydrophobicContact CB-CZ 4.29Å; V32-F369 HydrophobicContact CG1-CE2 4.43Å; V32-F369 HydrophobicContact CG2-CE2 3.98Å; V32-F369 HydrophobicContact CG2-CZ 3.66Å; V35-F369 HydrophobicContact CB-CD2 3.95Å; V35-F369 HydrophobicContact CB-CE2 3.54Å; V35-F369 HydrophobicContact CB-CZ 4.19Å; V35-F369 HydrophobicContact CG1-CD2 3.47Å; V35-F369 VanDerWaalsContact CG1-CD2 3.47Å; V35-F369 HydrophobicContact CG1-CE2 3.64Å; V35-F369 HydrophobicContact CG1-CG 4.28Å; V35-F369 HydrophobicContact CG2-CD2 4.28Å; V35-F369 HydrophobicContact CG2-CE2 3.82Å; V35-F369 HydrophobicContact CG2-CZ 3.99Å; I363-F369 HydrophobicContact CD1-CE1 4.48Å; I363-F369 HydrophobicContact CG1-CD1 3.85Å; I363-F369 HydrophobicContact CG1-CE1 3.61Å; S366-F369 WeakPolarHBondContact O-CB 3.09Å; S366-F369 PolarHBondContact O-N 3.05Å; S366-F369 WeakPolarHBondContact OG-CB 3.44Å; S366-F369 PolarHBondContact OG-N 3.14Å; F369-R371 VanDerWaalsContact C-N 3.32Å; F369-R371 PolarHBondContact O-N 2.93Å; F369-E372 PolarHBondContact O-N 3.46Å; F369-L373 HydrophobicContact CD1-CD1 3.5Å; F369-L373 HydrophobicContact CD1-CG 3.91Å; F369-L373 HydrophobicContact CE1-CD1 3.37Å; F369-L373 HydrophobicContact CE1-CD2 4.16Å; F369-L373 HydrophobicContact CE1-CG 3.77Å; F369-L373 HydrophobicContact CZ-CD1 4.4Å; F369-L373 HydrophobicContact CZ-CD2 4.47Å; F369-L373 HydrophobicContact CZ-CG 4.43Å; F369-L373 WeakPolarHBondContact O-CB 3.3Å; F369-L373 WeakPolarHBondContact O-CG 3.24Å; F369-L373 PolarHBondContact O-N 2.92Å
370R83.5Confident80.7Confident118 Ų11867.5 Ų67.545%0.44532%0.319SS..Hα-helixtrans-59.1-40.2177.3-67.4-164.2-64.2-14912.2113.4I363 W364 S366 T368 S374I363-R370 WeakPolarHBondContact O-CD 3.14Å; I363-R370 WeakPolarHBondContact O-CG 3.37Å; W364-R370 PolarHBondContact O-NH1 2.92Å; S366-R370 PolarHBondContact O-N 3.45Å; T368-R370 PolarHBondContact O-N 3.3Å; R370-S374 WeakPolarHBondContact O-CB 3.31Å; R370-S374 PolarHBondContact O-N 3.37Å
371R77Confident79.3Confident108 Ų10866.3 Ų66.341%0.40832%0.318SS..Hα-helixtrans-64.6-49.2177.7-172.5-173.967.6178.95.3111.3R367 T368 F369 L373 S374 E375R367-R371 PolarHBondContact O-N 3.4Å; R367-R371 VanDerWaalsContact O-N 3.08Å; T368-R371 PolarHBondContact O-N 3.02Å; F369-R371 VanDerWaalsContact C-N 3.32Å; F369-R371 PolarHBondContact O-N 2.93Å; R371-L373 VanDerWaalsContact C-N 3.31Å; R371-L373 PolarHBondContact O-N 3.32Å; R371-S374 PolarHBondContact O-N 3.37Å; R371-E375 PolarHBondContact O-N 2.98Å
372E77.7Confident77.2Confident12 Ų1274.7 Ų74.76%0.05635%0.354CS..Hα-helixtrans-64.1-38.2179.1-58.4-62.2139.900111.4V35 T368 F369 E375 I376V35-E372 HydrophobicContact CG1-CB 3.72Å; V35-E372 HydrophobicContact CG1-CG 4.14Å; V35-E372 HydrophobicContact CG2-CB 4.39Å; T368-E372 HydrophobicContact CG2-CG 4.41Å; T368-E372 VanDerWaalsContact O-CG 3.31Å; T368-E372 WeakPolarHBondContact O-CG 3.27Å; T368-E372 PolarHBondContact O-N 2.92Å; F369-E372 PolarHBondContact O-N 3.46Å; E372-E375 PolarHBondContact O-N 3.35Å; E372-I376 VanDerWaalsContact O-CG1 3.31Å; E372-I376 WeakPolarHBondContact O-CG1 3.17Å; E372-I376 PolarHBondContact O-N 3.17Å
373L81.8Confident75.4Confident13 Ų1379 Ų797%0.06838%0.384CS..Hα-helixtrans-59.6-48.5171.4-79-179.4000111.7L31 V35 I363 F369 R371 E375 I376 F377L31-L373 HydrophobicContact CB-CD2 4.35Å; L31-L373 HydrophobicContact CD2-CD2 4.08Å; V35-L373 HydrophobicContact CG2-CD2 3.67Å; V35-L373 HydrophobicContact CG2-CG 4.01Å; I363-L373 HydrophobicContact CD1-CD1 4.42Å; I363-L373 HydrophobicContact CG1-CD1 3.89Å; F369-L373 HydrophobicContact CD1-CD1 3.5Å; F369-L373 HydrophobicContact CD1-CG 3.91Å; F369-L373 HydrophobicContact CE1-CD1 3.37Å; F369-L373 HydrophobicContact CE1-CD2 4.16Å; F369-L373 HydrophobicContact CE1-CG 3.77Å; F369-L373 HydrophobicContact CZ-CD1 4.4Å; F369-L373 HydrophobicContact CZ-CD2 4.47Å; F369-L373 HydrophobicContact CZ-CG 4.43Å; F369-L373 WeakPolarHBondContact O-CB 3.3Å; F369-L373 WeakPolarHBondContact O-CG 3.24Å; F369-L373 PolarHBondContact O-N 2.92Å; R371-L373 VanDerWaalsContact C-N 3.31Å; R371-L373 PolarHBondContact O-N 3.32Å; L373-E375 VanDerWaalsContact C-N 3.26Å; L373-E375 PolarHBondContact O-N 2.77Å; L373-I376 WeakPolarHBondContact O-CA 3.46Å; L373-I376 WeakPolarHBondContact O-CB 3.29Å; L373-I376 PolarHBondContact O-N 3.09Å; L373-F377 HydrophobicContact CB-CD2 4.45Å; L373-F377 HydrophobicContact CB-CE2 4.48Å; L373-F377 HydrophobicContact CD2-CE2 4.49Å; L373-F377 WeakPolarHBondContact O-CD2 2.93Å; L373-F377 PolarHBondContact O-N 2.96Å
374S81Confident73.5Confident60 Ų6077 Ų7742%0.4238%0.376SS..Hα-helixtrans-58.5-39.4177.7178.10000111.6R370 R371 F377 N378R370-S374 WeakPolarHBondContact O-CB 3.31Å; R370-S374 PolarHBondContact O-N 3.37Å; R371-S374 PolarHBondContact O-N 3.37Å; S374-F377 PolarHBondContact O-N 3.26Å; S374-N378 VanDerWaalsContact O-CB 3.28Å; S374-N378 WeakPolarHBondContact O-CB 3.33Å; S374-N378 PolarHBondContact O-N 2.64Å; S374-N378 PolarHBondContact O-ND2 3.49Å
375E78.5Confident71.3Confident59 Ų5974.9 Ų74.928%0.27638%0.377SS..Hα-helixtrans-67.7-32.7174-66.5178.9-162.300113.6R38 R371 E372 L373 N379R38-E375 IonicContact CZ-OE2 3.54Å; R38-E375 IonicContact NE-OE2 3.84Å; R38-E375 PolarHBondContact NH1-O 3.22Å; R38-E375 VanDerWaalsContact NH2-CB 3.34Å; R38-E375 IonicContact NH2-OE2 2.79Å; R38-E375 PolarHBondContact NH2-OE2 3.2Å; R371-E375 PolarHBondContact O-N 2.98Å; E372-E375 PolarHBondContact O-N 3.35Å; L373-E375 VanDerWaalsContact C-N 3.26Å; L373-E375 PolarHBondContact O-N 2.77Å; E375-N379 WeakPolarHBondContact O-CB 3.48Å; E375-N379 PolarHBondContact O-N 3.32Å; E375-N379 VanDerWaalsContact O-N 3.11Å; E375-N379 PolarHBondContact O-ND2 2.75Å; E375-N379 PolarHBondContact O-OD1 3.34Å
376I79.1Confident69.7Low23 Ų2378.3 Ų78.312%0.11840%0.399CS..Hα-helixtrans-66.5-49.4173.2-68.1165.4000109.5V35 R38 E372 L373 N378 N379 L380V35-I376 HydrophobicContact CG2-CD1 3.8Å; R38-I376 VanDerWaalsContact NH1-CG1 3.29Å; E372-I376 VanDerWaalsContact O-CG1 3.31Å; E372-I376 WeakPolarHBondContact O-CG1 3.17Å; E372-I376 PolarHBondContact O-N 3.17Å; L373-I376 WeakPolarHBondContact O-CA 3.46Å; L373-I376 WeakPolarHBondContact O-CB 3.29Å; L373-I376 PolarHBondContact O-N 3.09Å; I376-N378 PolarHBondContact O-N 2.92Å; I376-N379 PolarHBondContact O-N 2.87Å; I376-L380 HydrophobicContact CG2-CD1 3.97Å; I376-L380 WeakPolarHBondContact O-CG 3.29Å; I376-L380 PolarHBondContact O-N 3.49Å
377F81.2Confident68.2Low116 Ų11681.5 Ų81.551%0.50941%0.411SS..Hα-helixtrans-62.9-40178.1-77.3-67.5000112.6L373 S374 N379 L380 C381L373-F377 HydrophobicContact CB-CD2 4.45Å; L373-F377 HydrophobicContact CB-CE2 4.48Å; L373-F377 HydrophobicContact CD2-CE2 4.49Å; L373-F377 WeakPolarHBondContact O-CD2 2.93Å; L373-F377 PolarHBondContact O-N 2.96Å; S374-F377 PolarHBondContact O-N 3.26Å; F377-N379 VanDerWaalsContact C-N 3.32Å; F377-N379 PolarHBondContact O-N 3.16Å; F377-L380 PolarHBondContact O-N 3.21Å; F377-C381 WeakPolarHBondContact O-CB 3.2Å; F377-C381 PolarHBondContact O-N 3.4Å
378N77.1Confident67Low82 Ų8278.8 Ų78.844%0.43941%0.407SS..Hα-helixtrans-63.9-38.3175.4-71.9-19000111.5S374 I376 L380 C381 S384S374-N378 VanDerWaalsContact O-CB 3.28Å; S374-N378 WeakPolarHBondContact O-CB 3.33Å; S374-N378 PolarHBondContact O-N 2.64Å; S374-N378 PolarHBondContact O-ND2 3.49Å; I376-N378 PolarHBondContact O-N 2.92Å; N378-L380 VanDerWaalsContact C-N 3.34Å; N378-C381 PolarHBondContact O-N 3.43Å; N378-S384 WeakPolarHBondContact O-CB 3.46Å; N378-S384 PolarHBondContact O-OG 3.49Å
379N73.1Confident65.8Low97 Ų9780.5 Ų80.552%0.51942%0.418SS..Hα-helixtrans-71.2-28.7176.4-72.1-8.5000113.1E375 I376 F377E375-N379 WeakPolarHBondContact O-CB 3.48Å; E375-N379 PolarHBondContact O-N 3.32Å; E375-N379 VanDerWaalsContact O-N 3.11Å; E375-N379 PolarHBondContact O-ND2 2.75Å; E375-N379 PolarHBondContact O-OD1 3.34Å; I376-N379 PolarHBondContact O-N 2.87Å; F377-N379 VanDerWaalsContact C-N 3.32Å; F377-N379 PolarHBondContact O-N 3.16Å
380L74.5Confident64.2Low131 Ų13182.5 Ų82.569%0.68643%0.431SS*.Hα-helixtrans-77.3-25.9174.6-69.5168.9000112.2I376 F377 N378 F382I376-L380 HydrophobicContact CG2-CD1 3.97Å; I376-L380 WeakPolarHBondContact O-CG 3.29Å; I376-L380 PolarHBondContact O-N 3.49Å; F377-L380 PolarHBondContact O-N 3.21Å; N378-L380 VanDerWaalsContact C-N 3.34Å; L380-F382 PolarHBondContact O-N 3.01Å
381C63.6Low62.6Low70 Ų7080.9 Ų80.947%0.47343%0.429SS..SBendtrans-78.8119.5177.5-157.30000110.6F377 N378 C383 S384F377-C381 WeakPolarHBondContact O-CB 3.2Å; F377-C381 PolarHBondContact O-N 3.4Å; N378-C381 PolarHBondContact O-N 3.43Å; C381-C383 PolarHBondContact O-N 3.35Å; C381-S384 PolarHBondContact O-N 2.99Å
382F48.9Very low61Low184 Ų18484.1 Ų84.181%0.80744%0.442SS*.THydrogen-bonded Turntrans-54.6-23.8-175.1-133.1-94.2000114L380 S384L380-F382 PolarHBondContact O-N 3.01Å; F382-S384 VanDerWaalsContact C-N 3.26Å; F382-S384 PolarHBondContact O-N 3.46Å
383C50.8Low59.4Low97 Ų9786.3 Ų86.366%0.65546%0.456SS*.THydrogen-bonded Turntrans-66.3-20.7178.6-58.70000114.3C381 V386C381-C383 PolarHBondContact O-N 3.35Å; C383-V386 PolarHBondContact O-N 3.45Å
384S47.9Very low57.8Low27 Ų2791.7 Ų91.719%0.18948%0.48CS..Hα-helixtrans-77.9-24-173.6-157.70000113.7N378 C381 F382 V386 H387 N388N378-S384 WeakPolarHBondContact O-CB 3.46Å; N378-S384 PolarHBondContact O-OG 3.49Å; C381-S384 PolarHBondContact O-N 2.99Å; F382-S384 VanDerWaalsContact C-N 3.26Å; F382-S384 PolarHBondContact O-N 3.46Å; S384-V386 PolarHBondContact O-N 2.93Å; S384-H387 PolarHBondContact O-N 3.34Å; S384-H387 VanDerWaalsContact O-N 3.14Å; S384-N388 PolarHBondContact O-N 3.32Å; S384-N388 VanDerWaalsContact O-N 3.09Å
385N43.5Very low56.5Low114 Ų11495.8 Ų95.861%0.6149%0.49SS*.Hα-helixtrans-63.3-28.5172.1-84.2-25.3000112.5T389N385-T389 PolarHBondContact O-OG1 2.91Å
386V46.4Very low55.3Low103 Ų10399 Ų9962%0.62450%0.504SS*.Hα-helixtrans-73.3-39.4174.6-1750000110.6C383 S384 T389 T390C383-V386 PolarHBondContact O-N 3.45Å; S384-V386 PolarHBondContact O-N 2.93Å; V386-T389 PolarHBondContact O-N 2.84Å; V386-T390 PolarHBondContact O-N 3.3Å; V386-T390 PolarHBondContact O-OG1 2.96Å
387H48.3Very low53.6Low88 Ų88100.7 Ų100.741%0.40752%0.518SS..Hα-helixtrans-71.8-36.7-176.2-138-68.9000113.2S384 T390 Q391 R428S384-H387 PolarHBondContact O-N 3.34Å; S384-H387 VanDerWaalsContact O-N 3.14Å; H387-T390 WeakPolarHBondContact CA-OG1 3.41Å; H387-T390 PolarHBondContact O-N 2.89Å; H387-T390 PolarHBondContact O-OG1 2.95Å; H387-Q391 PolarHBondContact O-N 3.21Å; H387-R428 PolarHBondContact NE2-NH1 3.14Å
388N47Very low52.4Low85 Ų8599.5 Ų99.546%0.45552%0.517SS..Hα-helixtrans-65.7-38.4177.1-79.7-24.7000112.2S384 Q391 Y392S384-N388 PolarHBondContact O-N 3.32Å; S384-N388 VanDerWaalsContact O-N 3.09Å; N388-Q391 PolarHBondContact O-N 3.36Å; N388-Y392 PolarHBondContact O-N 3.43Å; N388-Y392 VanDerWaalsContact O-N 3.11Å
389T45.1Very low51.1Low94 Ų94102.3 Ų102.358%0.57753%0.525SS*.Hα-helixtrans-63.6-43.6175.6-490000111.1N385 V386 Y392 T393N385-T389 PolarHBondContact O-OG1 2.91Å; V386-T389 PolarHBondContact O-N 2.84Å; T389-Y392 PolarHBondContact O-N 3.18Å; T389-T393 PolarHBondContact O-N 2.97Å; T389-T393 VanDerWaalsContact O-N 3.16Å; T389-T393 PolarHBondContact O-OG1 3.16Å
390T43.1Very low50Low52 Ų52103.2 Ų103.232%0.31953%0.526SS..Hα-helixtrans-68-33.2177.352.30000114.2V386 H387 Y392 T393 F394V386-T390 PolarHBondContact O-N 3.3Å; V386-T390 PolarHBondContact O-OG1 2.96Å; H387-T390 WeakPolarHBondContact CA-OG1 3.41Å; H387-T390 PolarHBondContact O-N 2.89Å; H387-T390 PolarHBondContact O-OG1 2.95Å; T390-Y392 VanDerWaalsContact C-N 3.35Å; T390-T393 WeakPolarHBondContact CA-OG1 3.37Å; T390-T393 PolarHBondContact O-OG1 3.21Å; T390-F394 WeakPolarHBondContact O-CB 3.02Å; T390-F394 PolarHBondContact O-N 3.24Å; T390-F394 VanDerWaalsContact O-N 3.08Å
391Q48.8Very low48.4Very low84 Ų84103.8 Ų103.839%0.39352%0.52SS..Hα-helixtrans-70.5-33.2173.4-91-169.8-100112.4H387 N388 K395H387-Q391 PolarHBondContact O-N 3.21Å; N388-Q391 PolarHBondContact O-N 3.36Å; Q391-K395 WeakPolarHBondContact O-CB 3.46Å; Q391-K395 PolarHBondContact O-N 2.83Å
392Y43.3Very low47.6Very low176 Ų176104.1 Ų104.169%0.6952%0.523SS*.Hα-helixtrans-67.4-45178.4-141.4-89.8000111.1N388 T389 T390 K395 Q396N388-Y392 PolarHBondContact O-N 3.43Å; N388-Y392 VanDerWaalsContact O-N 3.11Å; T389-Y392 PolarHBondContact O-N 3.18Å; T390-Y392 VanDerWaalsContact C-N 3.35Å; Y392-K395 PolarHBondContact O-N 2.98Å; Y392-Q396 WeakPolarHBondContact O-CB 3.03Å; Y392-Q396 PolarHBondContact O-N 3.04Å
393T44Very low47.4Very low57 Ų57104.7 Ų104.735%0.3552%0.52SS..Hα-helixtrans-64.2-41.2174.9480000112.1T389 T390 Q396 C397T389-T393 PolarHBondContact O-N 2.97Å; T389-T393 VanDerWaalsContact O-N 3.16Å; T389-T393 PolarHBondContact O-OG1 3.16Å; T390-T393 WeakPolarHBondContact CA-OG1 3.37Å; T390-T393 PolarHBondContact O-OG1 3.21Å; T393-Q396 WeakPolarHBondContact O-CB 3.45Å; T393-Q396 PolarHBondContact O-N 3.34Å; T393-C397 PolarHBondContact O-N 3.37Å; T393-C397 PolarHBondContact O-SG 3.4Å; T393-C397 VanDerWaalsContact O-SG 3.34Å
394F49.1Very low47.1Very low127 Ų127106.1 Ų106.156%0.55752%0.515SS*.Hα-helixtrans-62.6-46.3175.5-172.3-93.2000112.1T390 Q396 C397 D398T390-F394 WeakPolarHBondContact O-CB 3.02Å; T390-F394 PolarHBondContact O-N 3.24Å; T390-F394 VanDerWaalsContact O-N 3.08Å; F394-Q396 VanDerWaalsContact C-N 3.27Å; F394-Q396 PolarHBondContact O-N 3.09Å; F394-C397 PolarHBondContact O-N 2.9Å; F394-C397 VanDerWaalsContact O-N 3.16Å; F394-D398 PolarHBondContact O-N 2.94Å
395K52.6Low46.8Very low145 Ų145110.2 Ų110.263%0.6354%0.535SS*.Hα-helixtrans-62.3-34.4175.2-87.1-178.7176.9171.10112.6Q391 Y392 K399Q391-K395 WeakPolarHBondContact O-CB 3.46Å; Q391-K395 PolarHBondContact O-N 2.83Å; Y392-K395 PolarHBondContact O-N 2.98Å; K395-K399 WeakPolarHBondContact O-CB 3.35Å; K395-K399 PolarHBondContact O-N 3.22Å
396Q54.6Low46.4Very low126 Ų126115 Ų11559%0.58955%0.546SS*.Hα-helixtrans-65.2-44.6173.8-119.6169.9-14.100111.1Y392 T393 F394 K399 H400Y392-Q396 WeakPolarHBondContact O-CB 3.03Å; Y392-Q396 PolarHBondContact O-N 3.04Å; T393-Q396 WeakPolarHBondContact O-CB 3.45Å; T393-Q396 PolarHBondContact O-N 3.34Å; F394-Q396 VanDerWaalsContact C-N 3.27Å; F394-Q396 PolarHBondContact O-N 3.09Å; Q396-K399 PolarHBondContact O-N 3.33Å; Q396-H400 WeakPolarHBondContact O-CB 3.48Å; Q396-H400 PolarHBondContact O-N 3.4Å
397C43.6Very low45.9Very low59 Ų59116.5 Ų116.540%0.39955%0.55SS..Hα-helixtrans-62.7-45175.8-69.10000112T393 F394 H400 Y401T393-C397 PolarHBondContact O-N 3.37Å; T393-C397 PolarHBondContact O-SG 3.4Å; T393-C397 VanDerWaalsContact O-SG 3.34Å; F394-C397 PolarHBondContact O-N 2.9Å; F394-C397 VanDerWaalsContact O-N 3.16Å; C397-H400 WeakPolarHBondContact O-CA 3.27Å; C397-H400 WeakPolarHBondContact O-CB 3.38Å; C397-H400 PolarHBondContact O-N 3.4Å; C397-H400 VanDerWaalsContact O-N 3.11Å; C397-Y401 PolarHBondContact O-N 3.27Å
398D55Low45.1Very low91 Ų91122.5 Ų122.549%0.48757%0.57SS.*Hα-helixtrans-65.8-41.5179.1-170.436.4000112.1F394 H400 Y401 S402F394-D398 PolarHBondContact O-N 2.94Å; D398-H400 PolarHBondContact O-N 2.86Å; D398-Y401 PolarHBondContact O-N 3.19Å; D398-S402 PolarHBondContact O-N 2.85Å
399K50.3Low44.3Very low142 Ų142126.5 Ų126.562%0.61759%0.592SS**Hα-helixtrans-60-35.9171.3-116.6179.7178.11790112.2K395 Q396 R403K395-K399 WeakPolarHBondContact O-CB 3.35Å; K395-K399 PolarHBondContact O-N 3.22Å; Q396-K399 PolarHBondContact O-N 3.33Å; K399-R403 WeakPolarHBondContact O-CB 3.41Å; K399-R403 WeakPolarHBondContact O-CG 3.41Å; K399-R403 PolarHBondContact O-N 2.98Å
400H49.5Very low43.8Very low116 Ų116125.9 Ų125.954%0.53759%0.591SS.*Hα-helixtrans-72.5-35.1178.7-146.8-65.5000111.7Q396 C397 D398 K404Q396-H400 WeakPolarHBondContact O-CB 3.48Å; Q396-H400 PolarHBondContact O-N 3.4Å; C397-H400 WeakPolarHBondContact O-CA 3.27Å; C397-H400 WeakPolarHBondContact O-CB 3.38Å; C397-H400 PolarHBondContact O-N 3.4Å; C397-H400 VanDerWaalsContact O-N 3.11Å; D398-H400 PolarHBondContact O-N 2.86Å; H400-K404 PolarHBondContact O-N 2.92Å
401Y40.9Very low43.5Very low143 Ų143133.1 Ų133.156%0.56162%0.618SS**Hα-helixtrans-69-47.5175.6-153.8-95.7000111.5C397 D398 R403 K404 N405C397-Y401 PolarHBondContact O-N 3.27Å; D398-Y401 PolarHBondContact O-N 3.19Å; Y401-R403 VanDerWaalsContact C-N 3.28Å; Y401-R403 PolarHBondContact O-N 2.02Å; Y401-K404 PolarHBondContact O-N 3.35Å; Y401-N405 PolarHBondContact O-N 3.22Å
402S47.3Very low43Very low77 Ų77136.5 Ų136.554%0.53863%0.634SS.*Hα-helixtrans-68.9-22.7-179.3-170.50000113.9D398D398-S402 PolarHBondContact O-N 2.85Å
403R44.9Very low42.9Very low196 Ų196134.7 Ų134.774%0.7464%0.636SS**Hα-helixtrans-84.2-22.9176.3-83.5-177.8172.9178.9-4.6114K399 Y401K399-R403 WeakPolarHBondContact O-CB 3.41Å; K399-R403 WeakPolarHBondContact O-CG 3.41Å; K399-R403 PolarHBondContact O-N 2.98Å; Y401-R403 VanDerWaalsContact C-N 3.28Å; Y401-R403 PolarHBondContact O-N 2.02Å
404K43.7Very low43.1Very low127 Ų127137 Ų13755%0.55264%0.643SS**Hα-helixtrans-94.5-16.3-177.1-83.5-170.5169.2-174.90114.7H400 Y401 Y406 L407H400-K404 PolarHBondContact O-N 2.92Å; Y401-K404 PolarHBondContact O-N 3.35Å; K404-Y406 PolarHBondContact O-N 3.02Å; K404-L407 CarbonylContact O-C 3.57Å; K404-L407 PolarHBondContact O-N 3.19Å
405N41.1Very low43Very low113 Ų113136.5 Ų136.560%0.60465%0.646SS**THydrogen-bonded Turntrans-70.63.2-179.5-81.5-6.4000116.1Y401Y401-N405 PolarHBondContact O-N 3.22Å
406Y36.3Very low43Very low214 Ų214135.9 Ų135.984%0.83965%0.649SS**THydrogen-bonded Turntrans-104.2-1.4168.1-72.3-80.2000113.5K404K404-Y406 PolarHBondContact O-N 3.02Å
407L35.5Very low42.6Very low135 Ų135133 Ų13371%0.70764%0.642SS**SBendtrans-138.794.8-177-82.8155.2000110.6K404K404-L407 CarbonylContact O-C 3.57Å; K404-L407 PolarHBondContact O-N 3.19Å
408Y30.6Very low43Very low214 Ų214134 Ų13484%0.83964%0.643SS**  trans73.7126.6145.1-113.4-100.2000119.8S410Y408-S410 VanDerWaalsContact C-N 3.33Å; Y408-S410 PolarHBondContact O-N 3.36Å
409N30.4Very low42.9Very low168 Ų168138.1 Ų138.190%0.89865%0.652SS**  trans-38.989.5148-88.3-28.3000111.8
410S36.4Very low43.1Very low81 Ų81136.3 Ų136.357%0.56665%0.645SS**  trans-133.3110.1169.7178.40000109.8Y408 H412Y408-S410 VanDerWaalsContact C-N 3.33Å; Y408-S410 PolarHBondContact O-N 3.36Å; S410-H412 PolarHBondContact O-N 3.2Å
411K35.5Very low43.3Very low205 Ų205135.1 Ų135.189%0.89164%0.642SS**  trans-64.220.5-176.6-106.5176.9177.1176.90115.5
412H37.6Very low43.8Very low155 Ų155134.7 Ų134.772%0.71865%0.645SS**  trans-122.3127.7-173.9-75.1-73000112.9S410S410-H412 PolarHBondContact O-N 3.2Å
413N41.2Very low43.9Very low137 Ų137134.2 Ų134.273%0.73364%0.642SS**SBendtrans93.121.7170.4-100.9-9.8000120.6
414H48.3Very low44.2Very low106 Ų106129.7 Ų129.749%0.49163%0.629SS.*THydrogen-bonded Turntrans-75.2-24.4173.6-85.5-93.7000115.3L416 C417 D418H414-L416 VanDerWaalsContact C-N 3.29Å; H414-L416 PolarHBondContact O-N 3.25Å; H414-L416 VanDerWaalsContact O-N 3.13Å; H414-C417 PolarHBondContact O-N 3.32Å; H414-D418 PolarHBondContact O-N 3.35Å
415N48.8Very low44.2Very low117 Ų117128.2 Ų128.263%0.62663%0.627SS**Hα-helixtrans-66.2-21.2-170.5-69.5-11.5000115.6R419N415-R419 WeakPolarHBondContact O-CG 3.47Å; N415-R419 PolarHBondContact O-N 2.92Å
416L52.1Low44.2Very low132 Ų132131.2 Ų131.269%0.69164%0.637SS**Hα-helixtrans-83.6-37.5-179.4-91.5149.3000112.7H414 H420H414-L416 VanDerWaalsContact C-N 3.29Å; H414-L416 PolarHBondContact O-N 3.25Å; H414-L416 VanDerWaalsContact O-N 3.13Å; L416-H420 PolarHBondContact O-N 3.37Å
417C46.7Very low44.4Very low65 Ų65131.6 Ų131.644%0.43964%0.638SS.*Hα-helixtrans-74.1-38.5174.2-91.70000111.6H414 R419 H420 L421H414-C417 PolarHBondContact O-N 3.32Å; C417-R419 PolarHBondContact O-N 3.42Å; C417-H420 WeakPolarHBondContact O-CB 3.44Å; C417-H420 PolarHBondContact O-N 3.47Å; C417-H420 VanDerWaalsContact O-N 3.16Å; C417-L421 PolarHBondContact O-N 3.17Å
418D51.3Low44.5Very low79 Ų79132.8 Ų132.842%0.42263%0.632SS.*Hα-helixtrans-66.6-38.2-179.2-73.8-27.1000112.6H414 H420 L421 Q422H414-D418 PolarHBondContact O-N 3.35Å; D418-H420 VanDerWaalsContact C-N 3.31Å; D418-H420 PolarHBondContact O-N 2.74Å; D418-L421 PolarHBondContact O-N 2.73Å; D418-Q422 WeakPolarHBondContact O-CB 3.24Å; D418-Q422 WeakPolarHBondContact O-CG 3.5Å; D418-Q422 PolarHBondContact O-N 2.96Å
419R53.3Low44.4Very low179 Ų179134.2 Ų134.268%0.67564%0.638SS**Hα-helixtrans-64.6-36.1172.1-74.3-177.1-159.5176.45.4112.2N415 C417 S423N415-R419 WeakPolarHBondContact O-CG 3.47Å; N415-R419 PolarHBondContact O-N 2.92Å; C417-R419 PolarHBondContact O-N 3.42Å; R419-S423 PolarHBondContact O-N 3.19Å; R419-S423 VanDerWaalsContact O-N 3.11Å; R419-S423 PolarHBondContact O-OG 3.32Å
420H53.1Low44.6Very low104 Ų104132.1 Ų132.148%0.48162%0.621SS.*Hα-helixtrans-69.3-40.8176.4-156.980.1000111L416 C417 D418 S423 H424L416-H420 PolarHBondContact O-N 3.37Å; C417-H420 WeakPolarHBondContact O-CB 3.44Å; C417-H420 PolarHBondContact O-N 3.47Å; C417-H420 VanDerWaalsContact O-N 3.16Å; D418-H420 VanDerWaalsContact C-N 3.31Å; D418-H420 PolarHBondContact O-N 2.74Å; H420-S423 PolarHBondContact O-OG 3.44Å; H420-H424 PolarHBondContact O-N 3.07Å; H420-H424 VanDerWaalsContact O-N 3.16Å
421L53.8Low44.5Very low91 Ų91132.6 Ų132.648%0.47662%0.622SS.*Hα-helixtrans-66.3-41.3175.8-134.986.5000112.4C417 D418 H424 N425C417-L421 PolarHBondContact O-N 3.17Å; D418-L421 PolarHBondContact O-N 2.73Å; L421-H424 PolarHBondContact O-N 3.39Å; L421-N425 WeakPolarHBondContact O-CB 3.35Å; L421-N425 PolarHBondContact O-N 2.83Å
422Q52.7Low44.4Very low134 Ų134130 Ų13063%0.62661%0.608SS**Hα-helixtrans-64.8-40.4177.3-83.3178-17.100112.5D418 H424 N425D418-Q422 WeakPolarHBondContact O-CB 3.24Å; D418-Q422 WeakPolarHBondContact O-CG 3.5Å; D418-Q422 PolarHBondContact O-N 2.96Å; Q422-H424 VanDerWaalsContact C-N 3.29Å; Q422-H424 PolarHBondContact O-N 3.45Å; Q422-N425 PolarHBondContact O-N 3.49Å
423S49.5Very low44.3Very low67 Ų67125.5 Ų125.547%0.46959%0.594SS.*Hα-helixtrans-68.6-27.917563.10000113R419 H420R419-S423 PolarHBondContact O-N 3.19Å; R419-S423 VanDerWaalsContact O-N 3.11Å; R419-S423 PolarHBondContact O-OG 3.32Å; H420-S423 PolarHBondContact O-OG 3.44Å
424H49.6Very low43.8Very low101 Ų101127 Ų12747%0.46859%0.594SS.*Hα-helixtrans-78.4-36.9175.5-123.5-80.7000113H420 L421 Q422 Q426 R427H420-H424 PolarHBondContact O-N 3.07Å; H420-H424 VanDerWaalsContact O-N 3.16Å; L421-H424 PolarHBondContact O-N 3.39Å; Q422-H424 VanDerWaalsContact C-N 3.29Å; Q422-H424 PolarHBondContact O-N 3.45Å; H424-Q426 PolarHBondContact O-N 3.48Å; H424-R427 PolarHBondContact O-N 3.43Å
425N43.6Very low43.1Very low95 Ų95126 Ų12651%0.50860%0.604SS.*Hα-helixtrans-65.6-20.2179.1-81.1-17.5000113.6L421 Q422L421-N425 WeakPolarHBondContact O-CB 3.35Å; L421-N425 PolarHBondContact O-N 2.83Å; Q422-N425 PolarHBondContact O-N 3.49Å
426Q42.1Very low42.5Very low176 Ų176124.5 Ų124.582%0.82261%0.608SS**THydrogen-bonded Turntrans-86-10.7177.3-72.8-166.1-13.200114.7H424H424-Q426 PolarHBondContact O-N 3.48Å
427R40.3Very low41.6Very low223 Ų223123.2 Ų123.284%0.84261%0.606SS**THydrogen-bonded Turntrans-116.8-13.2-170.5-71.4-167-171.2-164.23.2117H424H424-R427 PolarHBondContact O-N 3.43Å
428R37Very low40.8Very low159 Ų159129.1 Ų129.160%0.662%0.62SS**SBendtrans-154.4126.6174.6-93.7172-154.2175.55.5110.8H387 F430H387-R428 PolarHBondContact NE2-NH1 3.14Å; R428-F430 HydrophobicContact CB-CD2 4.31Å; R428-F430 PolarHBondContact O-N 3.35Å
429Y29Very low39.8Very low244 Ų244131.3 Ų131.396%0.95763%0.632SS**  trans-42.4102.3161-88-105.5000110
430F35Very low38.8Very low125 Ų125128.9 Ų128.955%0.54864%0.641SS.*  trans-132.9115.6166.7-102.3-77.5000106.9R428 Y432R428-F430 HydrophobicContact CB-CD2 4.31Å; R428-F430 PolarHBondContact O-N 3.35Å; F430-Y432 AromaticContact CD1-CD2 3.78Å; F430-Y432 HydrophobicContact CD1-CD2 3.78Å; F430-Y432 HydrophobicContact CD1-CE2 4.18Å; F430-Y432 HydrophobicContact CE1-CD2 4.47Å; F430-Y432 HydrophobicContact CE1-CE2 4.44Å; F430-Y432 PolarHBondContact O-N 3.44Å
431P34.6Very low37.8Very low90 Ų90130.5 Ų130.558%0.58465%0.653SS**THydrogen-bonded Turntrans-73.316.8-178.619.6-17.8000114.3S433P431-S433 VanDerWaalsContact C-N 3.26Å; P431-S433 PolarHBondContact O-N 3.49Å
432Y33.7Very low36.8Very low150 Ų150130.5 Ų130.559%0.58866%0.661SS**Hα-helixtrans-69.4-14.7-175.6-94.7-98.5000114.8F430 F470F430-Y432 AromaticContact CD1-CD2 3.78Å; F430-Y432 HydrophobicContact CD1-CD2 3.78Å; F430-Y432 HydrophobicContact CD1-CE2 4.18Å; F430-Y432 HydrophobicContact CE1-CD2 4.47Å; F430-Y432 HydrophobicContact CE1-CE2 4.44Å; F430-Y432 PolarHBondContact O-N 3.44Å; Y432-F470 HydrophobicContact CE1-CE2 4.36Å; Y432-F470 HydrophobicContact CE1-CZ 4.22Å
433S33.8Very low35.9Very low62 Ų62129.5 Ų129.543%0.43467%0.669SS.*Hα-helixtrans-90.7-18-178.263.30000114.9P431 T437P431-S433 VanDerWaalsContact C-N 3.26Å; P431-S433 PolarHBondContact O-N 3.49Å; S433-T437 PolarHBondContact O-OG1 3.1Å
434K30.7Very low35.3Very low168 Ų168132.6 Ų132.673%0.7368%0.68SS**Hα-helixtrans-82.5-23.6179.6-95.2-177.8176.3178.30114.1T437K434-T437 PolarHBondContact O-OG1 2.87Å
435A33.7Very low34.6Very low84 Ų84135.4 Ų135.469%0.69470%0.699SS**Hα-helixtrans-80.9-27.1174.200000112.7
436A36.2Very low34.2Very low87 Ų87135.6 Ų135.672%0.71970%0.7SS**THydrogen-bonded Turntrans-84.5-8.7-179.700000114
437T33.1Very low34.1Very low104 Ų104133.7 Ų133.764%0.63869%0.694SS**THydrogen-bonded Turntrans-100.82.8178.838.20000113.5S433 K434 N439S433-T437 PolarHBondContact O-OG1 3.1Å; K434-T437 PolarHBondContact O-OG1 2.87Å; T437-N439 PolarHBondContact O-N 3.31Å
438Y29.8Very low33.9Very low189 Ų189127.2 Ų127.274%0.74168%0.683SS**  trans-7497.6169-97.1-87.1000110C440Y438-C440 PolarHBondContact O-N 2.89Å; Y438-C440 VanDerWaalsContact O-N 3.16Å
439N30.7Very low34Very low125 Ų125125.8 Ų125.867%0.66868%0.683SS**  trans-60.2110.3174.1-158.94.9000108.9T437 N441T437-N439 PolarHBondContact O-N 3.31Å; N439-N441 PolarHBondContact O-N 2.91Å
440C31.9Very low34.5Very low129 Ų129118.5 Ų118.587%0.87266%0.664SS**THydrogen-bonded Turntrans-6415.5179-81.40000114.9Y438Y438-C440 PolarHBondContact O-N 2.89Å; Y438-C440 VanDerWaalsContact O-N 3.16Å
441N32.1Very low34.5Very low137 Ų137119.2 Ų119.273%0.73367%0.666SS**THydrogen-bonded Turntrans-102.29.8-179.1-74.3-6.1000113.9N439N439-N441 PolarHBondContact O-N 2.91Å
442S34.7Very low34.4Very low91 Ų91118 Ų11864%0.63666%0.66SS**  trans-100.894.41741750000111N444S442-N444 PolarHBondContact O-N 3.11Å
443S33.4Very low34.5Very low114 Ų114114.7 Ų114.780%0.79766%0.655SS**  trans-67.756.8172.451.60000113.8
444N35.6Very low34.6Very low132 Ų132117.6 Ų117.671%0.70666%0.662SS**  trans-124.2109.6175.2-85.5-21.7000112.1S442 N446S442-N444 PolarHBondContact O-N 3.11Å; N444-N446 VanDerWaalsContact C-N 3.31Å; N444-N446 PolarHBondContact O-N 3.1Å
445N34.7Very low34.8Very low159 Ų159116.5 Ų116.585%0.8566%0.659SS**  trans-70.459.7-176.3-75.6-32.8000114.6
446N35.6Very low34.7Very low99 Ų99119.9 Ų119.953%0.52966%0.66SS.*  trans-105.383.4174-76-13.7000112.1N444 S448 Q449N444-N446 VanDerWaalsContact C-N 3.31Å; N444-N446 PolarHBondContact O-N 3.1Å; N446-S448 PolarHBondContact O-N 2.85Å; N446-Q449 PolarHBondContact O-N 2.78Å; N446-Q449 VanDerWaalsContact O-N 3.11Å
447I40.2Very low34.5Very low137 Ų137119.9 Ų119.970%0.70365%0.648SS**Hα-helixtrans-54.2-19.7174.6-69.1169.5000112.9
448S36.9Very low34.5Very low87 Ų87119 Ų11961%0.60864%0.642SS**Hα-helixtrans-70.2-30.5176.746.50000114N446N446-S448 PolarHBondContact O-N 2.85Å
449Q38.4Very low34.6Very low129 Ų129116.7 Ų116.760%0.60364%0.642SS**Hα-helixtrans-77.5-21.7-179.5-73.2-175.7-19.400113.3N446 S452 V453N446-Q449 PolarHBondContact O-N 2.78Å; N446-Q449 VanDerWaalsContact O-N 3.11Å; Q449-S452 PolarHBondContact O-OG 3.24Å; Q449-V453 WeakPolarHBondContact O-CG2 3.38Å
450V39.5Very low34.8Very low91 Ų91118 Ų11855%0.55265%0.645SS**Hα-helixtrans-73.2-36.2177.3-179.40000111.1V453 E454V450-V453 PolarHBondContact O-N 2.96Å; V450-E454 PolarHBondContact O-N 2.93Å; V450-E454 VanDerWaalsContact O-N 3.13Å
451K34.8Very low34.9Very low139 Ų139116.3 Ų116.360%0.60462%0.624SS**Hα-helixtrans-68-37.4-179.5-76.3-175.3174.7-177.70113.6V453 E454 E455K451-V453 VanDerWaalsContact C-N 3.27Å; K451-V453 PolarHBondContact O-N 3.06Å; K451-E454 PolarHBondContact O-N 2.84Å; K451-E455 PolarHBondContact O-N 3.02Å; K451-E455 VanDerWaalsContact O-N 3.13Å
452S32.5Very low34.8Very low64 Ų64119.2 Ų119.245%0.44863%0.626SS.*Hα-helixtrans-70-26.4178.363.20000112.8Q449 H456Q449-S452 PolarHBondContact O-OG 3.24Å; S452-H456 PolarHBondContact O-N 3.43Å
453V37Very low34.7Very low81 Ų81120.3 Ų120.349%0.49163%0.633SS.*Hα-helixtrans-78.2-35.9174.8177.80000110.7Q449 V450 K451 I457Q449-V453 WeakPolarHBondContact O-CG2 3.38Å; V450-V453 PolarHBondContact O-N 2.96Å; K451-V453 VanDerWaalsContact C-N 3.27Å; K451-V453 PolarHBondContact O-N 3.06Å; V453-I457 HydrophobicContact CG1-CD1 3.71Å; V453-I457 HydrophobicContact CG1-CG1 4.49Å; V453-I457 WeakPolarHBondContact O-CD1 3.44Å; V453-I457 WeakPolarHBondContact O-CG1 3.33Å; V453-I457 PolarHBondContact O-N 3.45Å
454E35.8Very low34.8Very low124 Ų124117.9 Ų117.958%0.57962%0.616SS**Hα-helixtrans-62.1-43.4172.5-78.5-177.7146.900112.2V450 K451 I457 V458V450-E454 PolarHBondContact O-N 2.93Å; V450-E454 VanDerWaalsContact O-N 3.13Å; K451-E454 PolarHBondContact O-N 2.84Å; E454-I457 PolarHBondContact O-N 3.17Å; E454-V458 WeakPolarHBondContact O-CG2 3.26Å; E454-V458 PolarHBondContact O-N 3.18Å
455E34.3Very low34.8Very low145 Ų145115.8 Ų115.868%0.67861%0.609SS**Hα-helixtrans-65.4-42.5179.1-80.4178.4161.200112.7K451 I457 V458K451-E455 PolarHBondContact O-N 3.02Å; K451-E455 VanDerWaalsContact O-N 3.13Å; E455-I457 VanDerWaalsContact C-N 3.28Å; E455-I457 PolarHBondContact O-N 2.87Å; E455-V458 PolarHBondContact O-N 3.44Å
456H32.1Very low34.9Very low154 Ų154113.3 Ų113.371%0.71360%0.595SS**Hα-helixtrans-68.2-25.6179.4-109.9-63.9000114S452S452-H456 PolarHBondContact O-N 3.43Å
457I32.1Very low34.9Very low88 Ų88111.1 Ų111.145%0.45159%0.585SS.*Hα-helixtrans-79.8-30.5177.6-68.5169.6000111.1V453 E454 E455 D459 E461V453-I457 HydrophobicContact CG1-CD1 3.71Å; V453-I457 HydrophobicContact CG1-CG1 4.49Å; V453-I457 WeakPolarHBondContact O-CD1 3.44Å; V453-I457 WeakPolarHBondContact O-CG1 3.33Å; V453-I457 PolarHBondContact O-N 3.45Å; E454-I457 PolarHBondContact O-N 3.17Å; E455-I457 VanDerWaalsContact C-N 3.28Å; E455-I457 PolarHBondContact O-N 2.87Å; I457-D459 PolarHBondContact O-N 3.36Å; I457-E461 HydrophobicContact CG2-CG 4.11Å; I457-E461 VanDerWaalsContact O-CB 3.31Å; I457-E461 WeakPolarHBondContact O-CB 3.39Å; I457-E461 WeakPolarHBondContact O-CG 3.36Å; I457-E461 PolarHBondContact O-N 3.28Å
458V33.4Very low34.5Very low86 Ų86111.9 Ų111.952%0.52159%0.586SS.*Hα-helixtrans-69.5-30.8-177.2170.10000112.6E454 E455E454-V458 WeakPolarHBondContact O-CG2 3.26Å; E454-V458 PolarHBondContact O-N 3.18Å; E455-V458 PolarHBondContact O-N 3.44Å
459D30.1Very low34.3Very low139 Ų139116.8 Ų116.874%0.74359%0.593SS**Hα-helixtrans-78.3-27-177.5-74.4-24.9000113.9I457I457-D459 PolarHBondContact O-N 3.36Å
460E35.1Very low34.1Very low154 Ų154115.5 Ų115.572%0.7259%0.585SS**Hα-helixtrans-91.7-10.7174.9-77.3-171.315000113.7Y462E460-Y462 VanDerWaalsContact C-N 3.31Å; E460-Y462 PolarHBondContact O-N 2.93Å
461E34.4Very low33.7Very low92 Ų92119.4 Ų119.443%0.4359%0.59SS.*G310 helixtrans-77.1-0.1-168.5-108-172.5151.500116.3I457 S463 T467I457-E461 HydrophobicContact CG2-CG 4.11Å; I457-E461 VanDerWaalsContact O-CB 3.31Å; I457-E461 WeakPolarHBondContact O-CB 3.39Å; I457-E461 WeakPolarHBondContact O-CG 3.36Å; I457-E461 PolarHBondContact O-N 3.28Å; E461-S463 VanDerWaalsContact C-N 3.31Å; E461-S463 PolarHBondContact O-N 3.42Å; E461-T467 HydrophobicContact CG-CG2 4.33Å
462Y30.4Very low33.7Very low199 Ų199119.2 Ų119.278%0.7859%0.593SS**G310 helixtrans-80.90.3-170.6-119.8-90.8000115.8E460E460-Y462 VanDerWaalsContact C-N 3.31Å; E460-Y462 PolarHBondContact O-N 2.93Å
463S32.6Very low33.9Very low113 Ų113122.2 Ų122.279%0.7960%0.598SS**G310 helixtrans-107.20.2-163.6-172.60000117.5E461E461-S463 VanDerWaalsContact C-N 3.31Å; E461-S463 PolarHBondContact O-N 3.42Å
464S34.7Very low34.1Very low63 Ų63122.9 Ų122.944%0.44160%0.598SS.*  trans-150.6128.9-169.3169.50000114.9N466 T467S464-N466 PolarHBondContact O-N 3.34Å; S464-T467 PolarHBondContact O-N 2.94Å; S464-T467 PolarHBondContact O-OG1 3.04Å
465T37.3Very low34.2Very low89 Ų89121.8 Ų121.855%0.54660%0.595SS.*THydrogen-bonded Turntrans-64.3-5.3-179.2-11.10000115.3
466N35.6Very low34.6Very low107 Ų107119.4 Ų119.457%0.57259%0.587SS**THydrogen-bonded Turntrans-83.4-8.8179.3-76-25.2000113.8S464 Q468S464-N466 PolarHBondContact O-N 3.34Å; N466-Q468 PolarHBondContact O-N 3.45Å
467T36Very low35.3Very low52 Ų52116.4 Ų116.432%0.31958%0.577SS.*Hα-helixtrans-70.1-22.1-176.8360000114.7E461 S464 Y469 F470 R471E461-T467 HydrophobicContact CG-CG2 4.33Å; S464-T467 PolarHBondContact O-N 2.94Å; S464-T467 PolarHBondContact O-OG1 3.04Å; T467-Y469 VanDerWaalsContact C-N 3.33Å; T467-Y469 PolarHBondContact O-N 3.12Å; T467-F470 PolarHBondContact O-N 3.24Å; T467-R471 PolarHBondContact O-N 3.47Å
468Q32.7Very low36.1Very low153 Ų153116 Ų11672%0.71558%0.578SS**Hα-helixtrans-66.9-32.7178.6-78.7-165.2-24.100113.4N466 M472N466-Q468 PolarHBondContact O-N 3.45Å; Q468-M472 PolarHBondContact O-N 3.49Å
469Y32.3Very low36.5Very low191 Ų191118.9 Ų118.975%0.74958%0.584SS**Hα-helixtrans-72.4-35.1176.7-149.5-93000111.3T467 K473T467-Y469 VanDerWaalsContact C-N 3.33Å; T467-Y469 PolarHBondContact O-N 3.12Å; Y469-K473 PolarHBondContact O-N 3.26Å
470F32.8Very low37.3Very low102 Ų102116.9 Ų116.945%0.44757%0.572SS.*Hα-helixtrans-69.4-39.9177.3-119.7-84.3000112.1Y432 T467 M472 K473 I474Y432-F470 HydrophobicContact CE1-CE2 4.36Å; Y432-F470 HydrophobicContact CE1-CZ 4.22Å; T467-F470 PolarHBondContact O-N 3.24Å; F470-M472 VanDerWaalsContact C-N 3.32Å; F470-M472 PolarHBondContact O-N 3.48Å; F470-K473 PolarHBondContact O-N 3.24Å; F470-I474 HydrophobicContact CD1-CD1 3.82Å; F470-I474 HydrophobicContact CD1-CG1 4.11Å; F470-I474 HydrophobicContact CE1-CD1 4.48Å; F470-I474 WeakPolarHBondContact O-CG1 3.32Å; F470-I474 PolarHBondContact O-N 3.37Å
471R32.4Very low38.2Very low172 Ų172114.4 Ų114.465%0.64956%0.563SS**Hα-helixtrans-60.1-39.2176.1-128-176.7-171.8-170.11.9112.8T467 L475T467-R471 PolarHBondContact O-N 3.47Å; R471-L475 WeakPolarHBondContact O-CB 3.48Å; R471-L475 WeakPolarHBondContact O-CD1 3.41Å; R471-L475 WeakPolarHBondContact O-CG 3.44Å; R471-L475 PolarHBondContact O-N 2.9Å; R471-L475 VanDerWaalsContact O-N 3.15Å
472M34.4Very low39.1Very low136 Ų136117 Ų11767%0.6757%0.573SS**Hα-helixtrans-66.3-43.2175.3-77.2179.584.300111.8Q468 F470 L475 D476Q468-M472 PolarHBondContact O-N 3.49Å; F470-M472 VanDerWaalsContact C-N 3.32Å; F470-M472 PolarHBondContact O-N 3.48Å; M472-L475 PolarHBondContact O-N 3.49Å; M472-D476 PolarHBondContact O-N 2.87Å
473K37Very low40Very low127 Ų127113.6 Ų113.655%0.55257%0.565SS**Hα-helixtrans-71.5-36.5-177.1-148177.9-175.1-173.70112.9Y469 F470 N477Y469-K473 PolarHBondContact O-N 3.26Å; F470-K473 PolarHBondContact O-N 3.24Å; K473-N477 PolarHBondContact O-N 3.3Å; K473-N477 VanDerWaalsContact O-N 3.09Å
474I41.1Very low41.1Very low95 Ų95112.5 Ų112.549%0.48755%0.55SS.*Hα-helixtrans-65.7-45.8174-68.2173.8000110F470 D476 N477 T478F470-I474 HydrophobicContact CD1-CD1 3.82Å; F470-I474 HydrophobicContact CD1-CG1 4.11Å; F470-I474 HydrophobicContact CE1-CD1 4.48Å; F470-I474 WeakPolarHBondContact O-CG1 3.32Å; F470-I474 PolarHBondContact O-N 3.37Å; I474-D476 PolarHBondContact O-N 3.47Å; I474-N477 PolarHBondContact O-N 3.37Å; I474-T478 PolarHBondContact O-N 3.29Å; I474-T478 PolarHBondContact O-OG1 3.36Å
475L37.7Very low42.4Very low100 Ų100113.7 Ų113.752%0.52455%0.552SS.*Hα-helixtrans-63.1-38.1178.9-76.4167.3000112.8R471 M472 T478 K479R471-L475 WeakPolarHBondContact O-CB 3.48Å; R471-L475 WeakPolarHBondContact O-CD1 3.41Å; R471-L475 WeakPolarHBondContact O-CG 3.44Å; R471-L475 PolarHBondContact O-N 2.9Å; R471-L475 VanDerWaalsContact O-N 3.15Å; M472-L475 PolarHBondContact O-N 3.49Å; L475-T478 WeakPolarHBondContact CA-OG1 3.19Å; L475-K479 WeakPolarHBondContact O-CB 3.49Å; L475-K479 WeakPolarHBondContact O-CG 3.17Å; L475-K479 PolarHBondContact O-N 2.74Å
476D43.5Very low43.6Very low95 Ų95113.9 Ų113.951%0.50855%0.55SS..Hα-helixtrans-64.3-45.4173.4-84.1-16.7000111.1M472 I474 T478 K479 I480M472-D476 PolarHBondContact O-N 2.87Å; I474-D476 PolarHBondContact O-N 3.47Å; D476-T478 PolarHBondContact O-N 3.4Å; D476-K479 PolarHBondContact O-N 2.97Å; D476-I480 VanDerWaalsContact O-CG1 3.23Å; D476-I480 WeakPolarHBondContact O-CG1 3.49Å; D476-I480 PolarHBondContact O-N 3.42Å
477N44.9Very low44.8Very low92 Ų92112.6 Ų112.649%0.49254%0.542SS..Hα-helixtrans-65.1-38.7177.4-76.8-5.8000112.6K473 I474 I480 I481K473-N477 PolarHBondContact O-N 3.3Å; K473-N477 VanDerWaalsContact O-N 3.09Å; I474-N477 PolarHBondContact O-N 3.37Å; N477-I480 PolarHBondContact O-N 2.94Å; N477-I481 VanDerWaalsContact O-CG1 3.27Å; N477-I481 WeakPolarHBondContact O-CG1 3.45Å; N477-I481 PolarHBondContact O-N 3.03Å
478T48.8Very low46.1Very low78 Ų78114.2 Ų114.248%0.47955%0.549SS..Hα-helixtrans-67.4-38.5176.81.20000111.4I474 L475 D476 I481 K482I474-T478 PolarHBondContact O-N 3.29Å; I474-T478 PolarHBondContact O-OG1 3.36Å; L475-T478 WeakPolarHBondContact CA-OG1 3.19Å; D476-T478 PolarHBondContact O-N 3.4Å; T478-I481 PolarHBondContact O-N 3.19Å; T478-K482 WeakPolarHBondContact O-CB 3.09Å; T478-K482 PolarHBondContact O-N 3.18Å
479K43Very low47.6Very low148 Ų148111.6 Ų111.664%0.64354%0.54SS*.Hα-helixtrans-63.5-43.6173.8-80.6-178.5177.1-1780111.8L475 D476 K482 M483L475-K479 WeakPolarHBondContact O-CB 3.49Å; L475-K479 WeakPolarHBondContact O-CG 3.17Å; L475-K479 PolarHBondContact O-N 2.74Å; D476-K479 PolarHBondContact O-N 2.97Å; K479-K482 PolarHBondContact O-N 3.22Å; K479-M483 WeakPolarHBondContact O-CB 3.49Å; K479-M483 PolarHBondContact O-N 3.41Å
480I47.5Very low49Very low97 Ų97109.5 Ų109.550%0.49754%0.537SS..Hα-helixtrans-62-43.9177.7-68.5165.9000110.9D476 N477 K482 M483 N484D476-I480 VanDerWaalsContact O-CG1 3.23Å; D476-I480 WeakPolarHBondContact O-CG1 3.49Å; D476-I480 PolarHBondContact O-N 3.42Å; N477-I480 PolarHBondContact O-N 2.94Å; I480-K482 PolarHBondContact O-N 2.89Å; I480-M483 PolarHBondContact O-N 3.18Å; I480-N484 PolarHBondContact O-N 3.31Å
481I52.2Low50.3Low102 Ų102111 Ų11152%0.52355%0.548SS..Hα-helixtrans-63.2-43.4177.4-67.7164.6000111N477 T478 N484 N485N477-I481 VanDerWaalsContact O-CG1 3.27Å; N477-I481 WeakPolarHBondContact O-CG1 3.45Å; N477-I481 PolarHBondContact O-N 3.03Å; T478-I481 PolarHBondContact O-N 3.19Å; I481-N484 PolarHBondContact O-N 3.06Å; I481-N485 PolarHBondContact O-N 3.34Å
482K53.9Low51.8Low147 Ų147111.4 Ų111.464%0.63956%0.555SS**Hα-helixtrans-65.1-41.6179.1-147.3175.5-173.5-176.90111.5T478 K479 I480 N485 D486T478-K482 WeakPolarHBondContact O-CB 3.09Å; T478-K482 PolarHBondContact O-N 3.18Å; K479-K482 PolarHBondContact O-N 3.22Å; I480-K482 PolarHBondContact O-N 2.89Å; K482-N485 PolarHBondContact O-N 3.03Å; K482-D486 PolarHBondContact O-N 3.43Å
483M50.4Low52.8Low126 Ų126114.6 Ų114.662%0.62157%0.573SS**Hα-helixtrans-65.1-40.7176.9-140.9172.589.800112K479 I480 D486 I487K479-M483 WeakPolarHBondContact O-CB 3.49Å; K479-M483 PolarHBondContact O-N 3.41Å; I480-M483 PolarHBondContact O-N 3.18Å; M483-D486 PolarHBondContact O-N 3.09Å; M483-I487 HydrophobicContact CE-CD1 4.48Å; M483-I487 WeakPolarHBondContact O-CB 3.42Å; M483-I487 WeakPolarHBondContact O-CD1 3.05Å; M483-I487 WeakPolarHBondContact O-CG1 3.42Å; M483-I487 PolarHBondContact O-N 3.46Å
484N54.6Low53.6Low90 Ų90114 Ų11448%0.48157%0.574SS.*Hα-helixtrans-66.1-37.2174.8-92.4-0.3000112.6I480 I481 N488I480-N484 PolarHBondContact O-N 3.31Å; I481-N484 PolarHBondContact O-N 3.06Å; N484-N488 WeakPolarHBondContact O-CB 3.29Å; N484-N488 VanDerWaalsContact O-CG 3.27Å; N484-N488 PolarHBondContact O-N 3.14Å; N484-N488 PolarHBondContact O-ND2 2.97Å
485N61.8Low54.3Low89 Ų89114.9 Ų114.948%0.47658%0.579SS.*Hα-helixtrans-69.2-39.3175.6-77.3-11.7000112I481 K482 N488 N489I481-N485 PolarHBondContact O-N 3.34Å; K482-N485 PolarHBondContact O-N 3.03Å; N485-N488 PolarHBondContact O-N 2.89Å; N485-N489 WeakPolarHBondContact O-CB 3.32Å; N485-N489 VanDerWaalsContact O-CG 3.29Å; N485-N489 PolarHBondContact O-N 2.7Å; N485-N489 PolarHBondContact O-ND2 3.22Å
486D62.7Low55.2Low93 Ų93115.8 Ų115.850%0.49758%0.582SS.*Hα-helixtrans-66.3-40.9175.7-70.5-21.3000111.3K482 M483 N489 Q490K482-D486 PolarHBondContact O-N 3.43Å; M483-D486 PolarHBondContact O-N 3.09Å; D486-N489 PolarHBondContact O-N 3.41Å; D486-Q490 WeakPolarHBondContact O-CB 3.43Å; D486-Q490 WeakPolarHBondContact O-CG 3.34Å; D486-Q490 PolarHBondContact O-N 3.2Å
487I61Low55.9Low79 Ų79117 Ų11741%0.40559%0.587SS.*Hα-helixtrans-63.8-44174.3-69.3165.9000111.2M483 N489 Q490 L491M483-I487 HydrophobicContact CE-CD1 4.48Å; M483-I487 WeakPolarHBondContact O-CB 3.42Å; M483-I487 WeakPolarHBondContact O-CD1 3.05Å; M483-I487 WeakPolarHBondContact O-CG1 3.42Å; M483-I487 PolarHBondContact O-N 3.46Å; I487-N489 VanDerWaalsContact C-N 3.31Å; I487-N489 PolarHBondContact O-N 2.65Å; I487-Q490 PolarHBondContact O-N 3.37Å; I487-L491 HydrophobicContact CG2-CD1 3.84Å; I487-L491 WeakPolarHBondContact O-CG 3.43Å; I487-L491 PolarHBondContact O-N 2.99Å
488N62.8Low56.6Low87 Ų87118.6 Ų118.647%0.46559%0.592SS.*Hα-helixtrans-67.2-30.3178-77.4-27.2000113.1N484 N485 K492N484-N488 WeakPolarHBondContact O-CB 3.29Å; N484-N488 VanDerWaalsContact O-CG 3.27Å; N484-N488 PolarHBondContact O-N 3.14Å; N484-N488 PolarHBondContact O-ND2 2.97Å; N485-N488 PolarHBondContact O-N 2.89Å; N488-K492 WeakPolarHBondContact O-CG 3.44Å; N488-K492 PolarHBondContact O-N 2.86Å
489N64.7Low57.1Low98 Ų98121.3 Ų121.352%0.52460%0.6SS.*Hα-helixtrans-76.2-34173.9-74.2-20.2000112N485 D486 I487 L491 K492N485-N489 WeakPolarHBondContact O-CB 3.32Å; N485-N489 VanDerWaalsContact O-CG 3.29Å; N485-N489 PolarHBondContact O-N 2.7Å; N485-N489 PolarHBondContact O-ND2 3.22Å; D486-N489 PolarHBondContact O-N 3.41Å; I487-N489 VanDerWaalsContact C-N 3.31Å; I487-N489 PolarHBondContact O-N 2.65Å; N489-L491 VanDerWaalsContact C-N 3.34Å; N489-K492 PolarHBondContact O-N 3.48Å
490Q60.8Low58.1Low147 Ų147119.4 Ų119.469%0.68760%0.597SS**Hα-helixtrans-70.1-28.1173.2-71.1-84.3-38.500112.7D486 I487 K492D486-Q490 WeakPolarHBondContact O-CB 3.43Å; D486-Q490 WeakPolarHBondContact O-CG 3.34Å; D486-Q490 PolarHBondContact O-N 3.2Å; I487-Q490 PolarHBondContact O-N 3.37Å; Q490-K492 VanDerWaalsContact C-N 3.35Å
491L60.1Low58.9Low133 Ų133121.1 Ų121.170%0.69661%0.605SS**THydrogen-bonded Turntrans-82.7-6.9174.9-77.3162.9000114I487 N489I487-L491 HydrophobicContact CG2-CD1 3.84Å; I487-L491 WeakPolarHBondContact O-CG 3.43Å; I487-L491 PolarHBondContact O-N 2.99Å; N489-L491 VanDerWaalsContact C-N 3.34Å
492K65.6Low59.5Low181 Ų181122.7 Ų122.779%0.78761%0.611SS**  trans-104.6-5.4178.2-80.2-176.1177.3-176.80114N488 N489 Q490N488-K492 WeakPolarHBondContact O-CG 3.44Å; N488-K492 PolarHBondContact O-N 2.86Å; N489-K492 PolarHBondContact O-N 3.48Å; Q490-K492 VanDerWaalsContact C-N 3.35Å
493L55.7Low60Low202 Ų202120.5 Ų120.5100%1.05861%0.609SS**  trans-98.80165.8-75.9163.5000108.3

Retrieved 493 of 493 residues in 765.1 ms (Link to these results)

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