A0A3Q0KRI8_SCHMA Loading...

Cilia-and flagella-associated protein

AlphaFold DB , UniProt , Accession A0A3Q0KRI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 675 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
1M56.2Low81.4Confident126 Ų12668.4 Ų68.462%0.62136%0.359SS*.  0-56.80-61.8-48.8-76.300112.2G3 L4 N96 H100M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 3.24Å; M1-G3 VanDerWaalsContact O-N 3.08Å; M1-L4 HydrophobicContact CE-CD1 3.64Å; M1-L4 WeakPolarHBondContact O-CB 3.26Å; M1-L4 VanDerWaalsContact O-CG 3.25Å; M1-L4 WeakPolarHBondContact O-CG 3.45Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-L4 HydrophobicContact SD-CD1 3.83Å; M1-N96 HydrophobicContact CE-CB 4.18Å; M1-H100 WeakPolarHBondContact CE-CE1 3.43Å; M1-H100 WeakPolarHBondContact CE-ND1 3.49Å
2E61.8Low82.4Confident193 Ų19363.8 Ų63.890%0.90234%0.336SS*.THydrogen-bonded Turntrans-51.5-37-169.4-61.3173.6146.700115.8L4 P5E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.42Å; E2-P5 VanDerWaalsContact O-CD 3.25Å; E2-P5 WeakPolarHBondContact O-CD 3.38Å
3G76.7Confident82.9Confident46 Ų4661.7 Ų61.747%0.47433%0.33SS..THydrogen-bonded Turntrans-75.6-5.4177.800000116.5M1 M6 L7M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 3.24Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-M6 PolarHBondContact O-N 3.43Å; G3-L7 WeakPolarHBondContact O-CB 3.37Å; G3-L7 PolarHBondContact O-N 2.79Å
4L82.8Confident83.3Confident24 Ų2457.3 Ų57.313%0.12631%0.306CS..Hα-helixtrans-61-41.2-176.6-70.4169.4000114M1 E2 L7 F8 F93 H100 F101M1-L4 HydrophobicContact CE-CD1 3.64Å; M1-L4 WeakPolarHBondContact O-CB 3.26Å; M1-L4 VanDerWaalsContact O-CG 3.25Å; M1-L4 WeakPolarHBondContact O-CG 3.45Å; M1-L4 PolarHBondContact O-N 2.92Å; M1-L4 HydrophobicContact SD-CD1 3.83Å; E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.42Å; L4-L7 PolarHBondContact O-N 3Å; L4-F8 WeakPolarHBondContact O-CB 3.37Å; L4-F8 PolarHBondContact O-N 3.21Å; L4-F93 HydrophobicContact CD2-CD1 4.25Å; L4-F93 HydrophobicContact CD2-CE1 4.33Å; L4-H100 HydrophobicContact CD1-CB 4.24Å; L4-F101 HydrophobicContact CB-CE1 4.22Å; L4-F101 HydrophobicContact CD2-CE1 4.12Å; L4-F101 HydrophobicContact CD2-CZ 3.74Å
5P83.5Confident83.9Confident50 Ų5053.5 Ų53.533%0.32529%0.286SS..Hα-helixtrans-67.8-34.8178.5-2235.9000113.5E2 Q9E2-P5 VanDerWaalsContact O-CD 3.25Å; E2-P5 WeakPolarHBondContact O-CD 3.38Å; P5-Q9 WeakPolarHBondContact O-CG 3.33Å; P5-Q9 PolarHBondContact O-N 3.39Å
6M85Confident84.3Confident113 Ų11358.8 Ų58.856%0.55731%0.306SS*.Hα-helixtrans-65.4-51.8172.2-81.5177.959.300110.7G3 F8 Q9 E10G3-M6 PolarHBondContact O-N 3.43Å; M6-F8 PolarHBondContact O-N 3.48Å; M6-Q9 PolarHBondContact O-N 3.11Å; M6-E10 WeakPolarHBondContact CE-OE1 3.47Å; M6-E10 WeakPolarHBondContact O-CG 3.2Å; M6-E10 PolarHBondContact O-N 3.46Å
7L87.5Confident84.4Confident27 Ų2762.1 Ų62.114%0.14132%0.319CS..Hα-helixtrans-57.5-35.5178.5173.8145.8000112.1G3 L4 T11 K41 L45 F81 F101G3-L7 WeakPolarHBondContact O-CB 3.37Å; G3-L7 PolarHBondContact O-N 2.79Å; L4-L7 PolarHBondContact O-N 3Å; L7-T11 WeakPolarHBondContact O-CB 3.45Å; L7-T11 WeakPolarHBondContact O-CG2 3.33Å; L7-T11 PolarHBondContact O-N 2.78Å; L7-T11 VanDerWaalsContact O-N 3.12Å; L7-T11 PolarHBondContact O-OG1 3.29Å; L7-K41 HydrophobicContact CD1-CB 4.25Å; L7-L45 HydrophobicContact CD1-CD2 4.43Å; L7-L45 HydrophobicContact CD2-CD2 3.64Å; L7-L45 HydrophobicContact CG-CD2 4.22Å; L7-F81 HydrophobicContact CD2-CZ 4.33Å; L7-F101 HydrophobicContact CD2-CE1 4.22Å; L7-F101 HydrophobicContact CD2-CZ 4.19Å
8F91.4Very high84.4Confident10 Ų1061.6 Ų61.64%0.04432%0.315CS..Hα-helixtrans-63.6-51170174.6-101.5000112.3L4 M6 T11 V12 E78 F81 F101 C104 M105L4-F8 WeakPolarHBondContact O-CB 3.37Å; L4-F8 PolarHBondContact O-N 3.21Å; M6-F8 PolarHBondContact O-N 3.48Å; F8-T11 PolarHBondContact O-OG1 3.3Å; F8-T11 VanDerWaalsContact O-OG1 3.1Å; F8-V12 HydrophobicContact CD2-CG2 4.06Å; F8-V12 HydrophobicContact CE1-CG2 4.26Å; F8-V12 HydrophobicContact CE2-CG2 3.78Å; F8-V12 HydrophobicContact CG-CG2 4.43Å; F8-V12 HydrophobicContact CZ-CG2 3.89Å; F8-V12 VanDerWaalsContact O-CB 3.22Å; F8-V12 WeakPolarHBondContact O-CB 3.46Å; F8-V12 WeakPolarHBondContact O-CG2 3.46Å; F8-V12 PolarHBondContact O-N 3.19Å; F8-E78 HydrophobicContact CZ-CB 4.26Å; F8-E78 HydrophobicContact CZ-CG 4.08Å; F8-F81 AromaticContact CD2-CD1 3.55Å; F8-F81 HydrophobicContact CD2-CD1 3.55Å; F8-F81 AromaticContact CD2-CE1 3.66Å; F8-F81 HydrophobicContact CD2-CE1 3.66Å; F8-F81 HydrophobicContact CD2-CG 4.08Å; F8-F81 HydrophobicContact CD2-CZ 4.26Å; F8-F81 AromaticContact CE2-CD1 3.78Å; F8-F81 HydrophobicContact CE2-CD1 3.78Å; F8-F81 HydrophobicContact CE2-CE1 4.31Å; F8-F81 HydrophobicContact CE2-CG 4.25Å; F8-F101 HydrophobicContact CB-CD1 3.89Å; F8-F101 HydrophobicContact CB-CE1 4.05Å; F8-F101 HydrophobicContact CD2-CD1 4.01Å; F8-F101 HydrophobicContact CG-CD1 4.25Å; F8-C104 HydrophobicContact CD1-CB 3.54Å; F8-C104 HydrophobicContact CE1-CB 3.56Å; F8-C104 HydrophobicContact CG-CB 4.19Å; F8-C104 HydrophobicContact CZ-CB 4.22Å; F8-M105 HydrophobicContact CZ-CG 3.91Å; F8-M105 HydrophobicContact CZ-SD 4.46Å
9Q90.1Very high84.6Confident135 Ų13558.4 Ų58.463%0.63130%0.299SS*.Hα-helixtrans-64.8-42.1-177.9-72.4-177.97.800112.7P5 M6 S13P5-Q9 WeakPolarHBondContact O-CG 3.33Å; P5-Q9 PolarHBondContact O-N 3.39Å; M6-Q9 PolarHBondContact O-N 3.11Å; Q9-S13 WeakPolarHBondContact O-CB 3.47Å; Q9-S13 PolarHBondContact O-N 2.74Å
10E89.7Confident84.6Confident28 Ų2860.2 Ų60.213%0.13130%0.302CS..Hα-helixtrans-65.5-47.4178.4-67174.9-129.400111.7M6 S13 L14 Y38 N39 A42M6-E10 WeakPolarHBondContact CE-OE1 3.47Å; M6-E10 WeakPolarHBondContact O-CG 3.2Å; M6-E10 PolarHBondContact O-N 3.46Å; E10-S13 VanDerWaalsContact O-CB 3.31Å; E10-S13 WeakPolarHBondContact O-CB 3.48Å; E10-S13 PolarHBondContact O-N 3.28Å; E10-L14 PolarHBondContact O-N 3.17Å; E10-L14 VanDerWaalsContact O-N 3.09Å; E10-Y38 HydrophobicContact CB-CD1 3.88Å; E10-Y38 HydrophobicContact CB-CE1 4.26Å; E10-Y38 HydrophobicContact CG-CD1 3.93Å; E10-Y38 HydrophobicContact CG-CE1 4.37Å; E10-N39 WeakPolarHBondContact OE2-CB 3.33Å; E10-N39 PolarHBondContact OE2-N 3.48Å; E10-A42 HydrophobicContact CB-CB 3.7Å
11T90.7Very high84.5Confident0 Ų059.7 Ų59.70%030%0.304CS..Hα-helixtrans-66-40.8176.550.30000112.8L7 F8 S13 L14 I15 A42 L45 F81L7-T11 WeakPolarHBondContact O-CB 3.45Å; L7-T11 WeakPolarHBondContact O-CG2 3.33Å; L7-T11 PolarHBondContact O-N 2.78Å; L7-T11 VanDerWaalsContact O-N 3.12Å; L7-T11 PolarHBondContact O-OG1 3.29Å; F8-T11 PolarHBondContact O-OG1 3.3Å; F8-T11 VanDerWaalsContact O-OG1 3.1Å; T11-S13 PolarHBondContact O-N 3.49Å; T11-L14 PolarHBondContact O-N 3.49Å; T11-I15 WeakPolarHBondContact O-CB 3.5Å; T11-I15 WeakPolarHBondContact O-CD1 3.4Å; T11-I15 WeakPolarHBondContact O-CG1 3.35Å; T11-I15 PolarHBondContact O-N 3.28Å; T11-A42 HydrophobicContact CG2-CB 3.97Å; T11-A42 VanDerWaalsContact CG2-O 3.3Å; T11-A42 WeakPolarHBondContact CG2-O 3.36Å; T11-L45 HydrophobicContact CG2-CB 4.19Å; T11-L45 HydrophobicContact CG2-CD2 4.04Å; T11-L45 HydrophobicContact CG2-CG 4.18Å; T11-F81 HydrophobicContact CG2-CE2 4.3Å; T11-F81 VanDerWaalsContact OG1-CD2 3.25Å; T11-F81 WeakPolarHBondContact OG1-CD2 3.46Å; T11-F81 WeakPolarHBondContact OG1-CE2 3.45Å
12V93.1Very high84.8Confident13 Ų1365.7 Ų65.78%0.07932%0.32CS..Hα-helixtrans-59.3-37.4174.2162.70000111.1F8 K16 E78 F81F8-V12 HydrophobicContact CD2-CG2 4.06Å; F8-V12 HydrophobicContact CE1-CG2 4.26Å; F8-V12 HydrophobicContact CE2-CG2 3.78Å; F8-V12 HydrophobicContact CG-CG2 4.43Å; F8-V12 HydrophobicContact CZ-CG2 3.89Å; F8-V12 VanDerWaalsContact O-CB 3.22Å; F8-V12 WeakPolarHBondContact O-CB 3.46Å; F8-V12 WeakPolarHBondContact O-CG2 3.46Å; F8-V12 PolarHBondContact O-N 3.19Å; V12-K16 WeakPolarHBondContact O-CB 3.46Å; V12-K16 PolarHBondContact O-N 3.18Å; V12-E78 HydrophobicContact CG1-CG 3.69Å; V12-E78 HydrophobicContact CG2-CG 4.09Å; V12-F81 HydrophobicContact CG2-CB 4.2Å
13S89.9Confident84.6Confident37 Ų3759.6 Ų59.626%0.25930%0.298SS..Hα-helixtrans-61.8-52.2173.8-160.40000111.7Q9 E10 T11 I15 K16 E17 Y38Q9-S13 WeakPolarHBondContact O-CB 3.47Å; Q9-S13 PolarHBondContact O-N 2.74Å; E10-S13 VanDerWaalsContact O-CB 3.31Å; E10-S13 WeakPolarHBondContact O-CB 3.48Å; E10-S13 PolarHBondContact O-N 3.28Å; T11-S13 PolarHBondContact O-N 3.49Å; S13-I15 PolarHBondContact O-N 3.32Å; S13-K16 WeakPolarHBondContact O-CB 3.42Å; S13-K16 PolarHBondContact O-N 3.33Å; S13-K16 VanDerWaalsContact O-N 3.13Å; S13-E17 PolarHBondContact O-N 3.41Å; S13-Y38 WeakPolarHBondContact CB-OH 3.49Å; S13-Y38 PolarHBondContact OG-OH 3.39Å
14L88.4Confident83.5Confident0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-58.1-43.6176.5-70.9169.9000112.8E10 T11 K16 E17 H18 F32 Y38 F46E10-L14 PolarHBondContact O-N 3.17Å; E10-L14 VanDerWaalsContact O-N 3.09Å; T11-L14 PolarHBondContact O-N 3.49Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.02Å; L14-E17 PolarHBondContact O-N 3.12Å; L14-H18 WeakPolarHBondContact O-CB 3.25Å; L14-H18 PolarHBondContact O-N 3Å; L14-F32 HydrophobicContact CD2-CD1 3.93Å; L14-F32 HydrophobicContact CD2-CE1 3.36Å; L14-F32 HydrophobicContact CD2-CZ 4.2Å; L14-Y38 HydrophobicContact CD1-CD2 4.26Å; L14-Y38 HydrophobicContact CD2-CD2 3.66Å; L14-Y38 HydrophobicContact CD2-CE2 3.44Å; L14-Y38 VanDerWaalsContact CD2-CE2 3.44Å; L14-Y38 HydrophobicContact CG-CD2 4.02Å; L14-Y38 HydrophobicContact CG-CE2 3.84Å; L14-F46 HydrophobicContact CB-CB 4.15Å; L14-F46 HydrophobicContact CB-CD1 3.95Å; L14-F46 HydrophobicContact CB-CD2 3.79Å; L14-F46 HydrophobicContact CB-CE1 4.35Å; L14-F46 HydrophobicContact CB-CE2 4.21Å; L14-F46 HydrophobicContact CB-CG 3.66Å; L14-F46 HydrophobicContact CB-CZ 4.48Å; L14-F46 HydrophobicContact CD1-CB 3.82Å; L14-F46 HydrophobicContact CD1-CD1 4.13Å; L14-F46 HydrophobicContact CD1-CG 4.05Å; L14-F46 HydrophobicContact CG-CD1 4.45Å; L14-F46 HydrophobicContact CG-CG 4.43Å
15I91.8Very high82.1Confident0 Ų065.6 Ų65.60%033%0.332CS..Hα-helixtrans-60.6-45175.9-68.2164.3000110.4T11 S13 E17 F19 F46 I49 V80 F81T11-I15 WeakPolarHBondContact O-CB 3.5Å; T11-I15 WeakPolarHBondContact O-CD1 3.4Å; T11-I15 WeakPolarHBondContact O-CG1 3.35Å; T11-I15 PolarHBondContact O-N 3.28Å; S13-I15 PolarHBondContact O-N 3.32Å; I15-E17 VanDerWaalsContact C-N 3.32Å; I15-E17 PolarHBondContact O-N 3.18Å; I15-F19 HydrophobicContact CB-CB 4.3Å; I15-F19 HydrophobicContact CG2-CB 3.68Å; I15-F19 HydrophobicContact CG2-CG 4.06Å; I15-F19 WeakPolarHBondContact O-CB 3.3Å; I15-F19 PolarHBondContact O-N 3.04Å; I15-F46 HydrophobicContact CG1-CD2 3.84Å; I15-F46 HydrophobicContact CG1-CE2 4.2Å; I15-I49 HydrophobicContact CD1-CD1 3.96Å; I15-I49 HydrophobicContact CD1-CG2 4.19Å; I15-I49 HydrophobicContact CG1-CG2 4.25Å; I15-V80 HydrophobicContact CD1-CG1 4.36Å; I15-V80 HydrophobicContact CG2-CB 3.9Å; I15-V80 HydrophobicContact CG2-CG1 3.94Å; I15-V80 HydrophobicContact CG2-CG2 4.29Å; I15-F81 HydrophobicContact CD1-CB 4Å; I15-F81 HydrophobicContact CD1-CD2 4.23Å
16K90Very high80.8Confident138 Ų13868.2 Ų68.260%0.636%0.358SS*.Hα-helixtrans-62.5-37.2-176.7-176.2177176.2-177.70112.8V12 S13 L14V12-K16 WeakPolarHBondContact O-CB 3.46Å; V12-K16 PolarHBondContact O-N 3.18Å; S13-K16 WeakPolarHBondContact O-CB 3.42Å; S13-K16 PolarHBondContact O-N 3.33Å; S13-K16 VanDerWaalsContact O-N 3.13Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.02Å
17E85.7Confident79.4Confident115 Ų11564.8 Ų64.854%0.53734%0.341SS..Hα-helixtrans-82.2-42.6179.5-62.9-169.6152.400112.6S13 L14 I15S13-E17 PolarHBondContact O-N 3.41Å; L14-E17 PolarHBondContact O-N 3.12Å; I15-E17 VanDerWaalsContact C-N 3.32Å; I15-E17 PolarHBondContact O-N 3.18Å
18H85.6Confident78.4Confident54 Ų5465.2 Ų65.225%0.2535%0.347CS..Hα-helixtrans-108.7-33.2-167.2-61.7-68.4000115.3L14 W20 S21 F32 F46L14-H18 WeakPolarHBondContact O-CB 3.25Å; L14-H18 PolarHBondContact O-N 3Å; H18-W20 PolarHBondContact O-N 3.44Å; H18-S21 PolarHBondContact O-N 3Å; H18-S21 VanDerWaalsContact O-N 3.08Å; H18-F32 AromaticContact CD2-CZ 3.87Å; H18-F32 AromaticContact NE2-CE1 3.68Å; H18-F32 AromaticContact NE2-CZ 3.53Å; H18-F46 HydrophobicContact CB-CE1 4.37Å; H18-F46 HydrophobicContact CB-CE2 4.41Å; H18-F46 HydrophobicContact CB-CZ 3.62Å
19F88.5Confident76.9Confident0 Ų068.4 Ų68.40%036%0.36CS..THydrogen-bonded Turntrans-62.5-21.7-171.1-175.2-88.9000113.9I15 I49 L50 R53 L56 K57 V80I15-F19 HydrophobicContact CB-CB 4.3Å; I15-F19 HydrophobicContact CG2-CB 3.68Å; I15-F19 HydrophobicContact CG2-CG 4.06Å; I15-F19 WeakPolarHBondContact O-CB 3.3Å; I15-F19 PolarHBondContact O-N 3.04Å; F19-I49 HydrophobicContact CD2-CG2 4.16Å; F19-I49 HydrophobicContact CE2-CG2 4.12Å; F19-L50 HydrophobicContact CD2-CD2 4.18Å; F19-R53 HydrophobicContact CD2-CG 4.25Å; F19-R53 HydrophobicContact CE1-CG 4.37Å; F19-R53 HydrophobicContact CE2-CB 3.81Å; F19-R53 HydrophobicContact CE2-CG 3.72Å; F19-R53 HydrophobicContact CZ-CB 4.16Å; F19-R53 HydrophobicContact CZ-CG 3.77Å; F19-R53 PolarHBondContact O-NE 3.32Å; F19-R53 PolarHBondContact O-NH2 3.49Å; F19-L56 HydrophobicContact CE2-CD1 4.46Å; F19-L56 HydrophobicContact CZ-CB 4.01Å; F19-K57 HydrophobicContact CE1-CB 4.39Å; F19-V80 HydrophobicContact CD1-CG1 4.28Å; F19-V80 HydrophobicContact CD1-CG2 3.83Å; F19-V80 HydrophobicContact CD2-CG1 3.9Å; F19-V80 HydrophobicContact CE1-CG1 4.03Å; F19-V80 HydrophobicContact CE1-CG2 3.56Å; F19-V80 HydrophobicContact CE2-CG1 3.6Å; F19-V80 HydrophobicContact CG-CG1 4.24Å; F19-V80 HydrophobicContact CG-CG2 4.5Å; F19-V80 HydrophobicContact CZ-CG1 3.68Å; F19-V80 HydrophobicContact CZ-CG2 4Å
20W84.3Confident75.7Confident95 Ų9569 Ų6936%0.3636%0.363SS..THydrogen-bonded Turntrans-97.6-8-179.9-6097.8000114.2H18 K57 V60 K76 V80H18-W20 PolarHBondContact O-N 3.44Å; W20-K57 HydrophobicContact CZ3-CG 4.06Å; W20-V60 HydrophobicContact CH2-CB 4.35Å; W20-V60 HydrophobicContact CH2-CG1 4.14Å; W20-V60 HydrophobicContact CZ2-CG1 4.23Å; W20-K76 HydrophobicContact CZ2-CB 4.13Å; W20-V80 HydrophobicContact CZ2-CG2 3.88Å
21S81.4Confident74.4Confident50 Ų5070.7 Ų70.735%0.3537%0.373SS..  trans-70.1137.3-179.6-171.80000112.8H18 S23 R53H18-S21 PolarHBondContact O-N 3Å; H18-S21 VanDerWaalsContact O-N 3.08Å; S21-S23 VanDerWaalsContact C-N 3.34Å; S21-S23 PolarHBondContact O-N 3.38Å; S21-S23 PolarHBondContact OG-OG 2.92Å; S21-R53 VanDerWaalsContact O-CZ 3.27Å; S21-R53 PolarHBondContact O-NH1 3.31Å; S21-R53 PolarHBondContact O-NH2 3.31Å
22R63.9Low72.8Confident252 Ų25271.4 Ų71.495%0.95138%0.376SS*.SBendtrans-63.7-40-178.9-80.3-172.8175.1-172-1.6112.4A24R22-A24 PolarHBondContact O-N 3.15Å
23S57.6Low71.3Confident65 Ų6576.9 Ų76.946%0.45540%0.399SS..  trans-72.1111174.951.70000110.1S21 L25S21-S23 VanDerWaalsContact C-N 3.34Å; S21-S23 PolarHBondContact O-N 3.38Å; S21-S23 PolarHBondContact OG-OG 2.92Å; S23-L25 VanDerWaalsContact C-N 3.27Å; S23-L25 PolarHBondContact O-N 3.49Å; S23-L25 VanDerWaalsContact O-N 3.09Å; S23-L25 WeakPolarHBondContact OG-CD1 3.25Å
24A53.8Low69.8Low91 Ų9183.3 Ų83.375%0.75243%0.425SS*.  trans-69.394.9150.800000106.6R22R22-A24 PolarHBondContact O-N 3.15Å
25L52.6Low68.2Low104 Ų10489.9 Ų89.955%0.54545%0.454SS..  trans-62.2145.7164.7-8280.4000107.5S23 L27S23-L25 VanDerWaalsContact C-N 3.27Å; S23-L25 PolarHBondContact O-N 3.49Å; S23-L25 VanDerWaalsContact O-N 3.09Å; S23-L25 WeakPolarHBondContact OG-CD1 3.25Å; L25-L27 HydrophobicContact CB-CD2 3.57Å; L25-L27 HydrophobicContact CB-CG 3.92Å; L25-L27 HydrophobicContact CD2-CD2 4.23Å; L25-L27 HydrophobicContact CG-CD2 4.44Å; L25-L27 PolarHBondContact O-N 3.37Å
26A55.8Low66.4Low105 Ų10592.5 Ų92.587%0.86847%0.467SS*.  trans-71.682160.600000107.4S28A26-S28 PolarHBondContact O-N 3.22Å
27L56.9Low65.2Low42 Ų4294.2 Ų94.222%0.2248%0.483CS..  trans-70.599.4-173.6-67.4171.1000109.7L25 F32 F46 L50L25-L27 HydrophobicContact CB-CD2 3.57Å; L25-L27 HydrophobicContact CB-CG 3.92Å; L25-L27 HydrophobicContact CD2-CD2 4.23Å; L25-L27 HydrophobicContact CG-CD2 4.44Å; L25-L27 PolarHBondContact O-N 3.37Å; L27-F32 HydrophobicContact CB-CE2 4.04Å; L27-F32 HydrophobicContact CD1-CE2 4.18Å; L27-F32 HydrophobicContact CD1-CZ 4.48Å; L27-F32 HydrophobicContact CD2-CE2 3.89Å; L27-F32 HydrophobicContact CD2-CZ 4.39Å; L27-F32 HydrophobicContact CG-CE2 4.23Å; L27-F46 HydrophobicContact CD1-CE1 4.17Å; L27-L50 HydrophobicContact CD1-CD1 3.86Å
28S64.7Low64.2Low36 Ų3691.8 Ų91.825%0.25247%0.469SS..  trans-62146.9171.4157.50000110.3A26 E30 D31A26-S28 PolarHBondContact O-N 3.22Å; S28-E30 PolarHBondContact O-N 3.02Å; S28-E30 WeakPolarHBondContact OG-CB 3.35Å; S28-E30 PolarHBondContact OG-N 3.3Å; S28-E30 PolarHBondContact OG-OE2 3.11Å; S28-D31 WeakPolarHBondContact O-CB 3.13Å; S28-D31 PolarHBondContact O-N 2.84Å; S28-D31 PolarHBondContact OG-N 2.95Å
29K61.3Low63.7Low76 Ų7692.8 Ų92.833%0.3348%0.477SS..Hα-helixtrans-70.4-21.2173.4-167.6159.8-175.6167.60112K33 D40 F43 D44K29-K33 WeakPolarHBondContact O-CG 3.32Å; K29-K33 PolarHBondContact O-N 3.19Å; K29-D40 WeakPolarHBondContact CE-OD1 3.48Å; K29-D40 IonicContact NZ-OD1 2.76Å; K29-D40 PolarHBondContact NZ-OD1 3.18Å; K29-F43 HydrophobicContact CB-CE1 3.86Å; K29-F43 HydrophobicContact CB-CZ 4.45Å; K29-F43 HydrophobicContact CD-CD1 3.96Å; K29-F43 HydrophobicContact CD-CE1 3.94Å; K29-F43 HydrophobicContact CG-CD1 3.87Å; K29-F43 HydrophobicContact CG-CE1 3.68Å; K29-D44 IonicContact NZ-OD1 2.62Å; K29-D44 PolarHBondContact NZ-OD1 2.94Å; K29-D44 IonicContact NZ-OD2 3.78Å; K29-D44 PolarHBondContact NZ-OD2 3.34Å
30E64.4Low63.2Low147 Ų14795.9 Ų95.969%0.68749%0.493SS*.Hα-helixtrans-77.1-40.7175.4-56.6142.9152.200110.7S28 F32 K33 E34S28-E30 PolarHBondContact O-N 3.02Å; S28-E30 WeakPolarHBondContact OG-CB 3.35Å; S28-E30 PolarHBondContact OG-N 3.3Å; S28-E30 PolarHBondContact OG-OE2 3.11Å; E30-F32 PolarHBondContact O-N 2.81Å; E30-F32 VanDerWaalsContact O-N 3.12Å; E30-K33 PolarHBondContact O-N 3.4Å; E30-E34 PolarHBondContact O-N 3.31Å; E30-E34 VanDerWaalsContact O-N 3.09Å
31D62.3Low63.2Low64 Ų6498.5 Ų98.534%0.34251%0.507SS..Hα-helixtrans-52.4-34.7176.3-121-33.4000112.5S28 K35S28-D31 WeakPolarHBondContact O-CB 3.13Å; S28-D31 PolarHBondContact O-N 2.84Å; S28-D31 PolarHBondContact OG-N 2.95Å; D31-K35 VanDerWaalsContact O-CD 3.3Å; D31-K35 WeakPolarHBondContact O-CD 3.49Å; D31-K35 WeakPolarHBondContact O-CG 3.3Å; D31-K35 IonicContact OD1-NZ 2.94Å; D31-K35 PolarHBondContact OD1-NZ 3.3Å
32F57.1Low63.4Low16 Ų1696.1 Ų96.17%0.0749%0.49CS..Hα-helixtrans-80.1-44.7172.9-83.8-88.8000113L14 H18 L27 E30 E34 K35 L36 F43L14-F32 HydrophobicContact CD2-CD1 3.93Å; L14-F32 HydrophobicContact CD2-CE1 3.36Å; L14-F32 HydrophobicContact CD2-CZ 4.2Å; H18-F32 AromaticContact CD2-CZ 3.87Å; H18-F32 AromaticContact NE2-CE1 3.68Å; H18-F32 AromaticContact NE2-CZ 3.53Å; L27-F32 HydrophobicContact CB-CE2 4.04Å; L27-F32 HydrophobicContact CD1-CE2 4.18Å; L27-F32 HydrophobicContact CD1-CZ 4.48Å; L27-F32 HydrophobicContact CD2-CE2 3.89Å; L27-F32 HydrophobicContact CD2-CZ 4.39Å; L27-F32 HydrophobicContact CG-CE2 4.23Å; E30-F32 PolarHBondContact O-N 2.81Å; E30-F32 VanDerWaalsContact O-N 3.12Å; F32-E34 PolarHBondContact O-N 3.49Å; F32-K35 PolarHBondContact O-N 2.88Å; F32-L36 HydrophobicContact CD1-CB 4.26Å; F32-L36 HydrophobicContact CD1-CD1 3.53Å; F32-L36 HydrophobicContact CE1-CD1 3.51Å; F32-L36 PolarHBondContact O-N 3.35Å; F32-F43 HydrophobicContact CB-CD2 4.25Å; F32-F43 HydrophobicContact CB-CE2 4.29Å; F32-F43 HydrophobicContact CD1-CD2 4.25Å; F32-F43 HydrophobicContact CD1-CE2 4.39Å; F32-F43 AromaticContact CD2-CD2 3.91Å; F32-F43 HydrophobicContact CD2-CD2 3.91Å; F32-F43 AromaticContact CD2-CE2 3.27Å; F32-F43 HydrophobicContact CD2-CE2 3.27Å; F32-F43 HydrophobicContact CD2-CZ 4.03Å; F32-F43 HydrophobicContact CE2-CD2 4.33Å; F32-F43 AromaticContact CE2-CE2 3.59Å; F32-F43 HydrophobicContact CE2-CE2 3.59Å; F32-F43 HydrophobicContact CE2-CZ 4.48Å; F32-F43 AromaticContact CG-CD2 3.85Å; F32-F43 HydrophobicContact CG-CD2 3.85Å; F32-F43 AromaticContact CG-CE2 3.71Å; F32-F43 HydrophobicContact CG-CE2 3.71Å; F32-F43 HydrophobicContact CZ-CE2 4.3Å
33K60.5Low64.4Low128 Ų12884.8 Ų84.856%0.55745%0.448SS*.Hα-helixtrans-62-27.5-176.9-75.2-169.4178.7-156.80114.1K29 E30 D40K29-K33 WeakPolarHBondContact O-CG 3.32Å; K29-K33 PolarHBondContact O-N 3.19Å; E30-K33 PolarHBondContact O-N 3.4Å; K33-D40 WeakPolarHBondContact CE-OD1 3.44Å; K33-D40 IonicContact NZ-OD1 2.87Å; K33-D40 PolarHBondContact NZ-OD1 2.83Å; K33-D40 IonicContact NZ-OD2 2.75Å; K33-D40 PolarHBondContact NZ-OD2 2.68Å
34E59.8Low65.7Low171 Ų17184.8 Ų84.880%0.79944%0.443SS*.THydrogen-bonded Turntrans-79.9-24.1172.4-68-159.2141.200114.4E30 F32E30-E34 PolarHBondContact O-N 3.31Å; E30-E34 VanDerWaalsContact O-N 3.09Å; F32-E34 PolarHBondContact O-N 3.49Å
35K54Low67.4Low138 Ų13881.4 Ų81.460%0.641%0.412SS*.THydrogen-bonded Turntrans-111.6-26.9-166-66.1173.8-168.8153.40114.1D31 F32D31-K35 VanDerWaalsContact O-CD 3.3Å; D31-K35 WeakPolarHBondContact O-CD 3.49Å; D31-K35 WeakPolarHBondContact O-CG 3.3Å; D31-K35 IonicContact OD1-NZ 2.94Å; D31-K35 PolarHBondContact OD1-NZ 3.3Å; F32-K35 PolarHBondContact O-N 2.88Å
36L54.4Low69.2Low55 Ų5576.4 Ų76.429%0.28839%0.386SS..  trans-145.4114.2-165.3-71.8163.9000111.3F32 Y38F32-L36 HydrophobicContact CD1-CB 4.26Å; F32-L36 HydrophobicContact CD1-CD1 3.53Å; F32-L36 HydrophobicContact CE1-CD1 3.51Å; F32-L36 PolarHBondContact O-N 3.35Å; L36-Y38 VanDerWaalsContact C-N 3.26Å; L36-Y38 HydrophobicContact CB-CD2 3.65Å; L36-Y38 HydrophobicContact CB-CE2 3.79Å; L36-Y38 HydrophobicContact CD1-CD2 4.47Å; L36-Y38 HydrophobicContact CD1-CE2 4.03Å; L36-Y38 HydrophobicContact CD2-CE2 3.92Å; L36-Y38 HydrophobicContact CG-CD2 4.45Å; L36-Y38 HydrophobicContact CG-CE2 4.12Å; L36-Y38 PolarHBondContact O-N 2.91Å
37D64.7Low70.6Confident175 Ų17573.2 Ų73.294%0.93636%0.356SS*.  trans-76.669.6-179.2-167.924000111.4
38Y64.2Low72.1Confident63 Ų6374.4 Ų74.425%0.24736%0.36CS..  trans-110.2152.9177.8-70.3-56.3000112.1E10 S13 L14 L36E10-Y38 HydrophobicContact CB-CD1 3.88Å; E10-Y38 HydrophobicContact CB-CE1 4.26Å; E10-Y38 HydrophobicContact CG-CD1 3.93Å; E10-Y38 HydrophobicContact CG-CE1 4.37Å; S13-Y38 WeakPolarHBondContact CB-OH 3.49Å; S13-Y38 PolarHBondContact OG-OH 3.39Å; L14-Y38 HydrophobicContact CD1-CD2 4.26Å; L14-Y38 HydrophobicContact CD2-CD2 3.66Å; L14-Y38 HydrophobicContact CD2-CE2 3.44Å; L14-Y38 VanDerWaalsContact CD2-CE2 3.44Å; L14-Y38 HydrophobicContact CG-CD2 4.02Å; L14-Y38 HydrophobicContact CG-CE2 3.84Å; L36-Y38 VanDerWaalsContact C-N 3.26Å; L36-Y38 HydrophobicContact CB-CD2 3.65Å; L36-Y38 HydrophobicContact CB-CE2 3.79Å; L36-Y38 HydrophobicContact CD1-CD2 4.47Å; L36-Y38 HydrophobicContact CD1-CE2 4.03Å; L36-Y38 HydrophobicContact CD2-CE2 3.92Å; L36-Y38 HydrophobicContact CG-CD2 4.45Å; L36-Y38 HydrophobicContact CG-CE2 4.12Å; L36-Y38 PolarHBondContact O-N 2.91Å
39N74.5Confident73.4Confident75 Ų7572.7 Ų72.740%0.40135%0.348SS..  trans-64.6132.2174.5-166.1-40.5000110.8E10 K41 A42 F43E10-N39 WeakPolarHBondContact OE2-CB 3.33Å; E10-N39 PolarHBondContact OE2-N 3.48Å; N39-K41 PolarHBondContact O-N 2.87Å; N39-K41 PolarHBondContact OD1-N 3.3Å; N39-A42 HydrophobicContact CB-CB 4.28Å; N39-A42 WeakPolarHBondContact O-CA 3.37Å; N39-A42 WeakPolarHBondContact O-CB 3.43Å; N39-A42 PolarHBondContact O-N 3.13Å; N39-F43 PolarHBondContact O-N 2.95Å; N39-F43 VanDerWaalsContact O-N 3.14Å
40D79.2Confident74.7Confident66 Ų6671.3 Ų71.335%0.35334%0.344SS..Hα-helixtrans-49.1-37.8177.6-93.5-53.7000112K29 K33 A42 F43 D44K29-D40 WeakPolarHBondContact CE-OD1 3.48Å; K29-D40 IonicContact NZ-OD1 2.76Å; K29-D40 PolarHBondContact NZ-OD1 3.18Å; K33-D40 WeakPolarHBondContact CE-OD1 3.44Å; K33-D40 IonicContact NZ-OD1 2.87Å; K33-D40 PolarHBondContact NZ-OD1 2.83Å; K33-D40 IonicContact NZ-OD2 2.75Å; K33-D40 PolarHBondContact NZ-OD2 2.68Å; D40-A42 PolarHBondContact O-N 2.7Å; D40-F43 PolarHBondContact O-N 3.41Å; D40-D44 VanDerWaalsContact O-CG 3.31Å; D40-D44 PolarHBondContact O-N 3.4Å
41K83.8Confident75.9Confident149 Ų14970 Ų7065%0.64834%0.337SS*.Hα-helixtrans-68.1-30.4178.3-64.4-179.7178.7179.40113.9L7 N39 L45L7-K41 HydrophobicContact CD1-CB 4.25Å; N39-K41 PolarHBondContact O-N 2.87Å; N39-K41 PolarHBondContact OD1-N 3.3Å; K41-L45 VanDerWaalsContact O-CB 3.29Å; K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.38Å
42A85.5Confident77.2Confident0 Ų069 Ų690%033%0.329CS..Hα-helixtrans-74.9-39.5174.900000110.6E10 T11 N39 D40 F46E10-A42 HydrophobicContact CB-CB 3.7Å; T11-A42 HydrophobicContact CG2-CB 3.97Å; T11-A42 VanDerWaalsContact CG2-O 3.3Å; T11-A42 WeakPolarHBondContact CG2-O 3.36Å; N39-A42 HydrophobicContact CB-CB 4.28Å; N39-A42 WeakPolarHBondContact O-CA 3.37Å; N39-A42 WeakPolarHBondContact O-CB 3.43Å; N39-A42 PolarHBondContact O-N 3.13Å; D40-A42 PolarHBondContact O-N 2.7Å; A42-F46 WeakPolarHBondContact O-CB 3.44Å; A42-F46 PolarHBondContact O-N 2.99Å
43F84.6Confident78.8Confident14 Ų1470.6 Ų70.66%0.06134%0.335CS..Hα-helixtrans-62.3-51.1173.2178.7-101.5000112K29 F32 N39 D40 L45 F46 T47K29-F43 HydrophobicContact CB-CE1 3.86Å; K29-F43 HydrophobicContact CB-CZ 4.45Å; K29-F43 HydrophobicContact CD-CD1 3.96Å; K29-F43 HydrophobicContact CD-CE1 3.94Å; K29-F43 HydrophobicContact CG-CD1 3.87Å; K29-F43 HydrophobicContact CG-CE1 3.68Å; F32-F43 HydrophobicContact CB-CD2 4.25Å; F32-F43 HydrophobicContact CB-CE2 4.29Å; F32-F43 HydrophobicContact CD1-CD2 4.25Å; F32-F43 HydrophobicContact CD1-CE2 4.39Å; F32-F43 AromaticContact CD2-CD2 3.91Å; F32-F43 HydrophobicContact CD2-CD2 3.91Å; F32-F43 AromaticContact CD2-CE2 3.27Å; F32-F43 HydrophobicContact CD2-CE2 3.27Å; F32-F43 HydrophobicContact CD2-CZ 4.03Å; F32-F43 HydrophobicContact CE2-CD2 4.33Å; F32-F43 AromaticContact CE2-CE2 3.59Å; F32-F43 HydrophobicContact CE2-CE2 3.59Å; F32-F43 HydrophobicContact CE2-CZ 4.48Å; F32-F43 AromaticContact CG-CD2 3.85Å; F32-F43 HydrophobicContact CG-CD2 3.85Å; F32-F43 AromaticContact CG-CE2 3.71Å; F32-F43 HydrophobicContact CG-CE2 3.71Å; F32-F43 HydrophobicContact CZ-CE2 4.3Å; N39-F43 PolarHBondContact O-N 2.95Å; N39-F43 VanDerWaalsContact O-N 3.14Å; D40-F43 PolarHBondContact O-N 3.41Å; F43-L45 VanDerWaalsContact C-N 3.35Å; F43-L45 PolarHBondContact O-N 2.93Å; F43-F46 WeakPolarHBondContact O-CA 3.35Å; F43-F46 WeakPolarHBondContact O-CB 3.3Å; F43-F46 PolarHBondContact O-N 3.43Å; F43-T47 HydrophobicContact CD1-CG2 4.21Å; F43-T47 HydrophobicContact CE1-CG2 3.67Å; F43-T47 HydrophobicContact CE2-CG2 3.97Å; F43-T47 HydrophobicContact CZ-CG2 3.54Å; F43-T47 PolarHBondContact O-N 3.29Å
44D85.8Confident80.1Confident65 Ų6566.6 Ų66.635%0.34832%0.323SS..Hα-helixtrans-59.8-44.9-177.9-68.9-30.9000111.4K29 D40 F46 T47 E48K29-D44 IonicContact NZ-OD1 2.62Å; K29-D44 PolarHBondContact NZ-OD1 2.94Å; K29-D44 IonicContact NZ-OD2 3.78Å; K29-D44 PolarHBondContact NZ-OD2 3.34Å; D40-D44 VanDerWaalsContact O-CG 3.31Å; D40-D44 PolarHBondContact O-N 3.4Å; D44-F46 VanDerWaalsContact C-N 3.34Å; D44-F46 PolarHBondContact O-N 2.94Å; D44-T47 PolarHBondContact O-N 3.01Å; D44-T47 VanDerWaalsContact O-N 3.12Å; D44-T47 PolarHBondContact O-OG1 3.16Å; D44-E48 PolarHBondContact O-N 3.03Å; D44-E48 VanDerWaalsContact O-N 3.11Å
45L89.3Confident81.6Confident20 Ų2058.5 Ų58.511%0.10529%0.285CS..Hα-helixtrans-62.1-37.7174-178.357.6000113.1L7 T11 K41 F43 T47 E48 I49 F81 Y84 F93L7-L45 HydrophobicContact CD1-CD2 4.43Å; L7-L45 HydrophobicContact CD2-CD2 3.64Å; L7-L45 HydrophobicContact CG-CD2 4.22Å; T11-L45 HydrophobicContact CG2-CB 4.19Å; T11-L45 HydrophobicContact CG2-CD2 4.04Å; T11-L45 HydrophobicContact CG2-CG 4.18Å; K41-L45 VanDerWaalsContact O-CB 3.29Å; K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.38Å; F43-L45 VanDerWaalsContact C-N 3.35Å; F43-L45 PolarHBondContact O-N 2.93Å; L45-T47 VanDerWaalsContact C-N 3.34Å; L45-E48 PolarHBondContact O-N 3.28Å; L45-I49 HydrophobicContact CD1-CD1 4.5Å; L45-I49 HydrophobicContact CG-CD1 4.23Å; L45-I49 VanDerWaalsContact O-CG1 3.32Å; L45-I49 WeakPolarHBondContact O-CG1 3.48Å; L45-I49 PolarHBondContact O-N 2.87Å; L45-F81 HydrophobicContact CD2-CE2 3.92Å; L45-F81 HydrophobicContact CD2-CZ 4.34Å; L45-Y84 HydrophobicContact CD1-CD1 4.34Å; L45-Y84 HydrophobicContact CD1-CE1 3.54Å; L45-F93 HydrophobicContact CD1-CE2 4.47Å; L45-F93 HydrophobicContact CD1-CZ 4.27Å; L45-F93 HydrophobicContact CD2-CZ 3.83Å
46F89.7Confident83.5Confident0 Ų052 Ų520%026%0.257CS..Hα-helixtrans-64.1-37.8173.3167.2-110.8000112L14 I15 H18 L27 A42 F43 D44 I49 L50L14-F46 HydrophobicContact CB-CB 4.15Å; L14-F46 HydrophobicContact CB-CD1 3.95Å; L14-F46 HydrophobicContact CB-CD2 3.79Å; L14-F46 HydrophobicContact CB-CE1 4.35Å; L14-F46 HydrophobicContact CB-CE2 4.21Å; L14-F46 HydrophobicContact CB-CG 3.66Å; L14-F46 HydrophobicContact CB-CZ 4.48Å; L14-F46 HydrophobicContact CD1-CB 3.82Å; L14-F46 HydrophobicContact CD1-CD1 4.13Å; L14-F46 HydrophobicContact CD1-CG 4.05Å; L14-F46 HydrophobicContact CG-CD1 4.45Å; L14-F46 HydrophobicContact CG-CG 4.43Å; I15-F46 HydrophobicContact CG1-CD2 3.84Å; I15-F46 HydrophobicContact CG1-CE2 4.2Å; H18-F46 HydrophobicContact CB-CE1 4.37Å; H18-F46 HydrophobicContact CB-CE2 4.41Å; H18-F46 HydrophobicContact CB-CZ 3.62Å; L27-F46 HydrophobicContact CD1-CE1 4.17Å; A42-F46 WeakPolarHBondContact O-CB 3.44Å; A42-F46 PolarHBondContact O-N 2.99Å; F43-F46 WeakPolarHBondContact O-CA 3.35Å; F43-F46 WeakPolarHBondContact O-CB 3.3Å; F43-F46 PolarHBondContact O-N 3.43Å; D44-F46 VanDerWaalsContact C-N 3.34Å; D44-F46 PolarHBondContact O-N 2.94Å; F46-I49 PolarHBondContact O-N 3.33Å; F46-L50 HydrophobicContact CD1-CD1 4.4Å; F46-L50 HydrophobicContact CD2-CG 4.45Å; F46-L50 HydrophobicContact CE1-CD1 3.63Å; F46-L50 HydrophobicContact CE1-CG 4.17Å; F46-L50 HydrophobicContact CE2-CD1 4.17Å; F46-L50 HydrophobicContact CE2-CD2 3.97Å; F46-L50 HydrophobicContact CE2-CG 3.82Å; F46-L50 HydrophobicContact CZ-CD1 3.47Å; F46-L50 VanDerWaalsContact CZ-CD1 3.47Å; F46-L50 HydrophobicContact CZ-CD2 3.88Å; F46-L50 HydrophobicContact CZ-CG 3.65Å; F46-L50 PolarHBondContact O-N 3.49Å
47T86.4Confident85.3Confident38 Ų3854.1 Ų54.123%0.23326%0.264CS..Hα-helixtrans-66.5-36175.268.50000113F43 D44 L45 L50 K51F43-T47 HydrophobicContact CD1-CG2 4.21Å; F43-T47 HydrophobicContact CE1-CG2 3.67Å; F43-T47 HydrophobicContact CE2-CG2 3.97Å; F43-T47 HydrophobicContact CZ-CG2 3.54Å; F43-T47 PolarHBondContact O-N 3.29Å; D44-T47 PolarHBondContact O-N 3.01Å; D44-T47 VanDerWaalsContact O-N 3.12Å; D44-T47 PolarHBondContact O-OG1 3.16Å; L45-T47 VanDerWaalsContact C-N 3.34Å; T47-L50 WeakPolarHBondContact O-CB 3.46Å; T47-L50 PolarHBondContact O-N 3.17Å; T47-K51 PolarHBondContact O-N 3.08Å
48E88Confident86.5Confident67 Ų6746.9 Ų46.931%0.31323%0.226SC..Hα-helixtrans-63.2-44.5171-65.3-55.8148.900111.6D44 L45 L50 K51 F52 Y84D44-E48 PolarHBondContact O-N 3.03Å; D44-E48 VanDerWaalsContact O-N 3.11Å; L45-E48 PolarHBondContact O-N 3.28Å; E48-L50 PolarHBondContact O-N 3.16Å; E48-K51 WeakPolarHBondContact O-CB 3.2Å; E48-K51 PolarHBondContact O-N 3.38Å; E48-K51 IonicContact OE1-NZ 3.15Å; E48-K51 PolarHBondContact OE1-NZ 2.89Å; E48-K51 WeakPolarHBondContact OE2-CD 3.42Å; E48-K51 VanDerWaalsContact OE2-CE 3.31Å; E48-K51 WeakPolarHBondContact OE2-CE 3.29Å; E48-K51 IonicContact OE2-NZ 3.83Å; E48-K51 PolarHBondContact OE2-NZ 3.46Å; E48-F52 VanDerWaalsContact O-CD2 3.29Å; E48-F52 WeakPolarHBondContact O-CD2 3.49Å; E48-F52 PolarHBondContact O-N 2.92Å; E48-Y84 HydrophobicContact CB-CE2 4.36Å
49I92.1Very high87.8Confident0 Ų043.9 Ų43.90%022%0.215CC..Hα-helixtrans-59.1-33.9175.9-70.7168.9000111.7I15 F19 L45 F46 R53 L56 V80 F81 Y84I15-I49 HydrophobicContact CD1-CD1 3.96Å; I15-I49 HydrophobicContact CD1-CG2 4.19Å; I15-I49 HydrophobicContact CG1-CG2 4.25Å; F19-I49 HydrophobicContact CD2-CG2 4.16Å; F19-I49 HydrophobicContact CE2-CG2 4.12Å; L45-I49 HydrophobicContact CD1-CD1 4.5Å; L45-I49 HydrophobicContact CG-CD1 4.23Å; L45-I49 VanDerWaalsContact O-CG1 3.32Å; L45-I49 WeakPolarHBondContact O-CG1 3.48Å; L45-I49 PolarHBondContact O-N 2.87Å; F46-I49 PolarHBondContact O-N 3.33Å; I49-R53 PolarHBondContact O-N 3.03Å; I49-L56 HydrophobicContact CG2-CD1 4.06Å; I49-V80 HydrophobicContact CG2-CG1 3.83Å; I49-F81 HydrophobicContact CD1-CD2 3.94Å; I49-F81 HydrophobicContact CD1-CE2 4.38Å; I49-Y84 HydrophobicContact CB-CD2 4.47Å; I49-Y84 HydrophobicContact CD1-CD1 4.09Å; I49-Y84 HydrophobicContact CD1-CG 4.16Å; I49-Y84 HydrophobicContact CG1-CD1 3.77Å; I49-Y84 HydrophobicContact CG1-CD2 3.64Å; I49-Y84 HydrophobicContact CG1-CE1 4.18Å; I49-Y84 HydrophobicContact CG1-CE2 4.04Å; I49-Y84 HydrophobicContact CG1-CG 3.48Å; I49-Y84 VanDerWaalsContact CG1-CG 3.48Å
50L88.7Confident88.7Confident46 Ų4640.4 Ų40.424%0.24120%0.196CC..Hα-helixtrans-68.4-32.6173.8-76-179.5000113.7F19 L27 F46 T47 E48 F52 R53F19-L50 HydrophobicContact CD2-CD2 4.18Å; L27-L50 HydrophobicContact CD1-CD1 3.86Å; F46-L50 HydrophobicContact CD1-CD1 4.4Å; F46-L50 HydrophobicContact CD2-CG 4.45Å; F46-L50 HydrophobicContact CE1-CD1 3.63Å; F46-L50 HydrophobicContact CE1-CG 4.17Å; F46-L50 HydrophobicContact CE2-CD1 4.17Å; F46-L50 HydrophobicContact CE2-CD2 3.97Å; F46-L50 HydrophobicContact CE2-CG 3.82Å; F46-L50 HydrophobicContact CZ-CD1 3.47Å; F46-L50 VanDerWaalsContact CZ-CD1 3.47Å; F46-L50 HydrophobicContact CZ-CD2 3.88Å; F46-L50 HydrophobicContact CZ-CG 3.65Å; F46-L50 PolarHBondContact O-N 3.49Å; T47-L50 WeakPolarHBondContact O-CB 3.46Å; T47-L50 PolarHBondContact O-N 3.17Å; E48-L50 PolarHBondContact O-N 3.16Å; L50-F52 VanDerWaalsContact C-N 3.31Å; L50-F52 PolarHBondContact O-N 3.4Å; L50-R53 WeakPolarHBondContact O-CB 3.4Å; L50-R53 PolarHBondContact O-N 3.19Å
51K88.2Confident89.3Confident121 Ų12140.3 Ų40.353%0.52620%0.198SC..Hα-helixtrans-63-39.3177.2-62.4178.2-162.4166.90111.6T47 E48 R53T47-K51 PolarHBondContact O-N 3.08Å; E48-K51 WeakPolarHBondContact O-CB 3.2Å; E48-K51 PolarHBondContact O-N 3.38Å; E48-K51 IonicContact OE1-NZ 3.15Å; E48-K51 PolarHBondContact OE1-NZ 2.89Å; E48-K51 WeakPolarHBondContact OE2-CD 3.42Å; E48-K51 VanDerWaalsContact OE2-CE 3.31Å; E48-K51 WeakPolarHBondContact OE2-CE 3.29Å; E48-K51 IonicContact OE2-NZ 3.83Å; E48-K51 PolarHBondContact OE2-NZ 3.46Å; K51-R53 VanDerWaalsContact C-N 3.33Å
52F90.3Very high89.6Confident43 Ų4335.5 Ų35.519%0.18918%0.177CC..THydrogen-bonded Turntrans-9314.5179.8-55.8-73.8000113.7E48 L50 S54 I55 L56 Y84 L88E48-F52 VanDerWaalsContact O-CD2 3.29Å; E48-F52 WeakPolarHBondContact O-CD2 3.49Å; E48-F52 PolarHBondContact O-N 2.92Å; L50-F52 VanDerWaalsContact C-N 3.31Å; L50-F52 PolarHBondContact O-N 3.4Å; F52-S54 PolarHBondContact O-N 2.9Å; F52-S54 VanDerWaalsContact O-N 3.12Å; F52-I55 HydrophobicContact CB-CD1 4.32Å; F52-I55 HydrophobicContact CD1-CD1 3.77Å; F52-I55 WeakPolarHBondContact O-CB 3.42Å; F52-I55 PolarHBondContact O-N 3.31Å; F52-L56 HydrophobicContact CB-CD1 4.28Å; F52-L56 HydrophobicContact CB-CG 4.46Å; F52-L56 WeakPolarHBondContact O-CG 3.19Å; F52-L56 PolarHBondContact O-N 3.32Å; F52-Y84 HydrophobicContact CD2-CD2 4.47Å; F52-Y84 HydrophobicContact CD2-CE2 4.01Å; F52-Y84 HydrophobicContact CE2-CE2 4.45Å; F52-L88 HydrophobicContact CB-CD1 3.77Å; F52-L88 HydrophobicContact CD1-CD1 3.82Å; F52-L88 HydrophobicContact CD2-CD1 3.58Å; F52-L88 HydrophobicContact CE1-CD1 4.28Å; F52-L88 HydrophobicContact CE1-CD2 4.46Å; F52-L88 HydrophobicContact CE2-CD1 4.08Å; F52-L88 HydrophobicContact CG-CD1 3.42Å; F52-L88 VanDerWaalsContact CG-CD1 3.42Å; F52-L88 HydrophobicContact CZ-CD1 4.39Å
53R90.3Very high89.9Confident48 Ų4835.5 Ų35.518%0.18118%0.177CC..Hα-helixtrans-52.6-35.1-179.6177.3178.4-167.8-148.3-3.8114.1F19 S21 I49 L50 K51 I55 K57F19-R53 HydrophobicContact CD2-CG 4.25Å; F19-R53 HydrophobicContact CE1-CG 4.37Å; F19-R53 HydrophobicContact CE2-CB 3.81Å; F19-R53 HydrophobicContact CE2-CG 3.72Å; F19-R53 HydrophobicContact CZ-CB 4.16Å; F19-R53 HydrophobicContact CZ-CG 3.77Å; F19-R53 PolarHBondContact O-NE 3.32Å; F19-R53 PolarHBondContact O-NH2 3.49Å; S21-R53 VanDerWaalsContact O-CZ 3.27Å; S21-R53 PolarHBondContact O-NH1 3.31Å; S21-R53 PolarHBondContact O-NH2 3.31Å; I49-R53 PolarHBondContact O-N 3.03Å; L50-R53 WeakPolarHBondContact O-CB 3.4Å; L50-R53 PolarHBondContact O-N 3.19Å; K51-R53 VanDerWaalsContact C-N 3.33Å; R53-I55 VanDerWaalsContact C-N 3.34Å; R53-K57 WeakPolarHBondContact O-CB 3.49Å; R53-K57 PolarHBondContact O-N 2.96Å; R53-K57 VanDerWaalsContact O-N 3.15Å
54S88.4Confident90.2Very high45 Ų4536.3 Ų36.332%0.31518%0.18SC..Hα-helixtrans-68.4-29.4177.4520000113.3F52 P58 Y134F52-S54 PolarHBondContact O-N 2.9Å; F52-S54 VanDerWaalsContact O-N 3.12Å; S54-P58 WeakPolarHBondContact O-CD 3.33Å; S54-P58 WeakPolarHBondContact O-CG 3.1Å; S54-Y134 WeakPolarHBondContact OG-CE2 3.2Å; S54-Y134 PolarHBondContact OG-OH 3.37Å; S54-Y134 VanDerWaalsContact OG-OH 3.11Å
55I91.4Very high90.3Very high1 Ų139.6 Ų39.61%0.00519%0.191CC..Hα-helixtrans-80.3-48.8176-53-177.8000110.3F52 R53 K57 P58 C59 L87 W130 Y134 L143F52-I55 HydrophobicContact CB-CD1 4.32Å; F52-I55 HydrophobicContact CD1-CD1 3.77Å; F52-I55 WeakPolarHBondContact O-CB 3.42Å; F52-I55 PolarHBondContact O-N 3.31Å; R53-I55 VanDerWaalsContact C-N 3.34Å; I55-K57 PolarHBondContact O-N 2.98Å; I55-P58 WeakPolarHBondContact O-CD 3.17Å; I55-C59 PolarHBondContact O-SG 2.99Å; I55-L87 HydrophobicContact CG2-CD1 4.49Å; I55-W130 HydrophobicContact CG2-CD2 4.18Å; I55-W130 HydrophobicContact CG2-CG 4.21Å; I55-W130 HydrophobicContact CG2-CZ2 4.15Å; I55-W130 VanDerWaalsContact CG2-NE1 3.3Å; I55-W130 PolarHBondContact O-NE1 3.15Å; I55-Y134 HydrophobicContact CD1-CD2 4.22Å; I55-Y134 HydrophobicContact CD1-CE2 3.69Å; I55-Y134 HydrophobicContact CG1-CD2 4.04Å; I55-Y134 HydrophobicContact CG1-CE2 3.37Å; I55-L143 HydrophobicContact CD1-CD1 3.96Å; I55-L143 HydrophobicContact CD1-CD2 3.9Å; I55-L143 HydrophobicContact CG2-CD1 4.14Å; I55-L143 HydrophobicContact CG2-CD2 4.39Å
56L93.6Very high90.1Very high0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-73-29.7-171.1-61.6170.3000113.5F19 I49 F52 C59 V60 V80 F83 Y84 L87F19-L56 HydrophobicContact CE2-CD1 4.46Å; F19-L56 HydrophobicContact CZ-CB 4.01Å; I49-L56 HydrophobicContact CG2-CD1 4.06Å; F52-L56 HydrophobicContact CB-CD1 4.28Å; F52-L56 HydrophobicContact CB-CG 4.46Å; F52-L56 WeakPolarHBondContact O-CG 3.19Å; F52-L56 PolarHBondContact O-N 3.32Å; L56-C59 WeakPolarHBondContact O-CB 3.2Å; L56-C59 PolarHBondContact O-N 3.16Å; L56-V60 PolarHBondContact O-N 3.44Å; L56-V60 VanDerWaalsContact O-N 3.16Å; L56-V80 HydrophobicContact CB-CG1 4.49Å; L56-V80 HydrophobicContact CD1-CG1 4.22Å; L56-F83 HydrophobicContact CD2-CB 3.72Å; L56-Y84 HydrophobicContact CD1-CD2 4.32Å; L56-L87 HydrophobicContact CD2-CD1 4.04Å
57K92Very high89.7Confident100 Ų10043 Ų4344%0.43521%0.206SC..Hα-helixtrans-67.8-44.3-179176.9179.1174-1680113.1F19 W20 R53 I55 T61F19-K57 HydrophobicContact CE1-CB 4.39Å; W20-K57 HydrophobicContact CZ3-CG 4.06Å; R53-K57 WeakPolarHBondContact O-CB 3.49Å; R53-K57 PolarHBondContact O-N 2.96Å; R53-K57 VanDerWaalsContact O-N 3.15Å; I55-K57 PolarHBondContact O-N 2.98Å; K57-T61 WeakPolarHBondContact O-CB 3.48Å; K57-T61 PolarHBondContact O-N 3.38Å; K57-T61 PolarHBondContact O-OG1 3.35Å
58P90.7Very high88.9Confident24 Ų2444.8 Ų44.816%0.15622%0.22CC..Hα-helixtrans-51-50.4164-30.735.2000113.1S54 I55 V60 T61 K62 E129S54-P58 WeakPolarHBondContact O-CD 3.33Å; S54-P58 WeakPolarHBondContact O-CG 3.1Å; I55-P58 WeakPolarHBondContact O-CD 3.17Å; P58-V60 PolarHBondContact O-N 3.49Å; P58-T61 CarbonylContact O-C 3.23Å; P58-T61 WeakPolarHBondContact O-CA 3.5Å; P58-T61 WeakPolarHBondContact O-CB 3.24Å; P58-T61 PolarHBondContact O-N 3.13Å; P58-K62 WeakPolarHBondContact O-CB 3.29Å; P58-K62 PolarHBondContact O-N 3.18Å; P58-E129 HydrophobicContact CB-CB 4.29Å
59C91.9Very high87.9Confident0 Ų051.5 Ų51.50%025%0.249CC..Hα-helixtrans-53.9-52.9-177.7-54.80000112.6I55 L56 T61 K62 L63 F83I55-C59 PolarHBondContact O-SG 2.99Å; L56-C59 WeakPolarHBondContact O-CB 3.2Å; L56-C59 PolarHBondContact O-N 3.16Å; C59-T61 VanDerWaalsContact C-N 3.34Å; C59-T61 PolarHBondContact O-N 3.46Å; C59-K62 PolarHBondContact O-N 2.9Å; C59-L63 WeakPolarHBondContact O-CB 3.41Å; C59-L63 PolarHBondContact O-N 3.12Å; C59-F83 HydrophobicContact CB-CB 4.41Å; C59-F83 HydrophobicContact CB-CD1 3.76Å; C59-F83 HydrophobicContact CB-CD2 3.65Å; C59-F83 HydrophobicContact CB-CE1 3.86Å; C59-F83 HydrophobicContact CB-CE2 3.75Å; C59-F83 HydrophobicContact CB-CG 3.68Å; C59-F83 HydrophobicContact CB-CZ 3.86Å
60V93Very high87.2Confident1 Ų154.3 Ų54.31%0.00627%0.266CS..Hα-helixtrans-65.3-38.1177.5178.10000111.5W20 L56 P58 K62 L63 Y64 K76 F79 V80 F83W20-V60 HydrophobicContact CH2-CB 4.35Å; W20-V60 HydrophobicContact CH2-CG1 4.14Å; W20-V60 HydrophobicContact CZ2-CG1 4.23Å; L56-V60 PolarHBondContact O-N 3.44Å; L56-V60 VanDerWaalsContact O-N 3.16Å; P58-V60 PolarHBondContact O-N 3.49Å; V60-K62 VanDerWaalsContact C-N 3.3Å; V60-K62 PolarHBondContact O-N 3.43Å; V60-L63 PolarHBondContact O-N 3.34Å; V60-Y64 HydrophobicContact CG1-CD2 3.88Å; V60-Y64 HydrophobicContact CG1-CE2 3.98Å; V60-Y64 WeakPolarHBondContact O-CD2 3.26Å; V60-Y64 PolarHBondContact O-N 3.12Å; V60-Y64 VanDerWaalsContact O-N 3.13Å; V60-K76 HydrophobicContact CG1-CB 4.31Å; V60-K76 HydrophobicContact CG1-CG 4.01Å; V60-F79 HydrophobicContact CG2-CB 4.1Å; V60-V80 HydrophobicContact CG2-CB 4.48Å; V60-V80 HydrophobicContact CG2-CG2 3.74Å; V60-F83 HydrophobicContact CG2-CD2 3.61Å; V60-F83 HydrophobicContact CG2-CE2 3.9Å
61T91Very high87.1Confident64 Ų6452.7 Ų52.739%0.39326%0.257SS..Hα-helixtrans-64.9-35.9177.9-560000111.8K57 P58 C59 K65K57-T61 WeakPolarHBondContact O-CB 3.48Å; K57-T61 PolarHBondContact O-N 3.38Å; K57-T61 PolarHBondContact O-OG1 3.35Å; P58-T61 CarbonylContact O-C 3.23Å; P58-T61 WeakPolarHBondContact O-CA 3.5Å; P58-T61 WeakPolarHBondContact O-CB 3.24Å; P58-T61 PolarHBondContact O-N 3.13Å; C59-T61 VanDerWaalsContact C-N 3.34Å; C59-T61 PolarHBondContact O-N 3.46Å; T61-K65 WeakPolarHBondContact O-CG 3.48Å; T61-K65 PolarHBondContact O-N 2.84Å
62K90.6Very high87Confident48 Ų4851.1 Ų51.121%0.20925%0.254CS..Hα-helixtrans-77.5-40.1177.8-168.873.2179.3-171.20112.1P58 C59 V60 Y64 K65 F66 F116 E125 L126P58-K62 WeakPolarHBondContact O-CB 3.29Å; P58-K62 PolarHBondContact O-N 3.18Å; C59-K62 PolarHBondContact O-N 2.9Å; V60-K62 VanDerWaalsContact C-N 3.3Å; V60-K62 PolarHBondContact O-N 3.43Å; K62-Y64 PolarHBondContact O-N 3.12Å; K62-K65 WeakPolarHBondContact O-CB 3.08Å; K62-K65 PolarHBondContact O-N 2.69Å; K62-F66 PolarHBondContact O-N 3.4Å; K62-F116 HydrophobicContact CB-CE2 4.3Å; K62-F116 HydrophobicContact CB-CZ 3.93Å; K62-F116 HydrophobicContact CG-CE2 3.99Å; K62-F116 HydrophobicContact CG-CZ 3.9Å; K62-E125 WeakPolarHBondContact CE-OE2 3.3Å; K62-E125 IonicContact NZ-OE1 2.78Å; K62-E125 PolarHBondContact NZ-OE1 2.79Å; K62-E125 IonicContact NZ-OE2 3.85Å; K62-E125 PolarHBondContact NZ-OE2 3.3Å; K62-L126 HydrophobicContact CB-CD2 4.32Å
63L91.5Very high86.7Confident0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-55.2-47.7173.2177.967.8000111.8C59 V60 K65 F66 C67 L71 F79 F83 F113 F116C59-L63 WeakPolarHBondContact O-CB 3.41Å; C59-L63 PolarHBondContact O-N 3.12Å; V60-L63 PolarHBondContact O-N 3.34Å; L63-K65 VanDerWaalsContact C-N 3.28Å; L63-K65 PolarHBondContact O-N 2.77Å; L63-F66 PolarHBondContact O-N 3.18Å; L63-C67 PolarHBondContact O-N 3.27Å; L63-L71 HydrophobicContact CD1-CD1 4.06Å; L63-L71 HydrophobicContact CD2-CD1 3.92Å; L63-L71 HydrophobicContact CG-CD1 3.67Å; L63-F79 HydrophobicContact CD2-CB 4.02Å; L63-F79 HydrophobicContact CD2-CD1 3.59Å; L63-F79 HydrophobicContact CD2-CD2 4.04Å; L63-F79 HydrophobicContact CD2-CE1 4Å; L63-F79 HydrophobicContact CD2-CE2 4.41Å; L63-F79 HydrophobicContact CD2-CG 3.61Å; L63-F79 HydrophobicContact CD2-CZ 4.38Å; L63-F83 HydrophobicContact CB-CE2 4.08Å; L63-F83 HydrophobicContact CB-CZ 4.03Å; L63-F83 HydrophobicContact CD2-CE2 3.78Å; L63-F83 HydrophobicContact CD2-CZ 4.05Å; L63-F83 HydrophobicContact CG-CE2 4.5Å; L63-F83 HydrophobicContact CG-CZ 4.46Å; L63-F113 HydrophobicContact CD2-CD2 4.31Å; L63-F116 VanDerWaalsContact CA-CE2 3.43Å; L63-F116 HydrophobicContact CB-CD1 4.48Å; L63-F116 HydrophobicContact CB-CD2 4.31Å; L63-F116 HydrophobicContact CB-CE1 4.3Å; L63-F116 HydrophobicContact CB-CE2 4.12Å; L63-F116 HydrophobicContact CB-CG 4.47Å; L63-F116 HydrophobicContact CB-CZ 4.11Å; L63-F116 HydrophobicContact CD1-CB 3.54Å; L63-F116 HydrophobicContact CD1-CD1 3.97Å; L63-F116 HydrophobicContact CD1-CD2 3.76Å; L63-F116 HydrophobicContact CD1-CE2 4.43Å; L63-F116 HydrophobicContact CD1-CG 3.49Å; L63-F116 VanDerWaalsContact CD1-CG 3.49Å
64Y90.7Very high86.6Confident31 Ų3154.3 Ų54.312%0.12229%0.287CS..Hα-helixtrans-70.9-18.5177.8-85.1-89.2000114V60 K62 S68 L71 L72 K76 F79V60-Y64 HydrophobicContact CG1-CD2 3.88Å; V60-Y64 HydrophobicContact CG1-CE2 3.98Å; V60-Y64 WeakPolarHBondContact O-CD2 3.26Å; V60-Y64 PolarHBondContact O-N 3.12Å; V60-Y64 VanDerWaalsContact O-N 3.13Å; K62-Y64 PolarHBondContact O-N 3.12Å; Y64-S68 WeakPolarHBondContact O-CA 3.44Å; Y64-S68 PolarHBondContact O-OG 2.71Å; Y64-L71 HydrophobicContact CD1-CB 4.03Å; Y64-L71 HydrophobicContact CE1-CB 3.58Å; Y64-L72 PolarHBondContact OH-O 3.5Å; Y64-K76 HydrophobicContact CD2-CG 4.1Å; Y64-K76 HydrophobicContact CE2-CB 4.46Å; Y64-K76 HydrophobicContact CE2-CD 4.39Å; Y64-K76 HydrophobicContact CE2-CG 3.4Å; Y64-F79 AromaticContact CE2-CD2 3.75Å; Y64-F79 HydrophobicContact CE2-CD2 3.75Å; Y64-F79 HydrophobicContact CE2-CE2 4.16Å
65K88.4Confident86.6Confident134 Ų13454.2 Ų54.258%0.58328%0.281SS*.Hα-helixtrans-75-48.2167.6-71.3171.9179.4179.50110.5T61 K62 L63 S68T61-K65 WeakPolarHBondContact O-CG 3.48Å; T61-K65 PolarHBondContact O-N 2.84Å; K62-K65 WeakPolarHBondContact O-CB 3.08Å; K62-K65 PolarHBondContact O-N 2.69Å; L63-K65 VanDerWaalsContact C-N 3.28Å; L63-K65 PolarHBondContact O-N 2.77Å; K65-S68 PolarHBondContact O-OG 3.4Å
66F86.2Confident86.6Confident86 Ų8657.9 Ų57.938%0.37730%0.297SS..Hα-helixtrans-64-45-178.7-168.7-100.1000112.5K62 L63 F116 V122K62-F66 PolarHBondContact O-N 3.4Å; L63-F66 PolarHBondContact O-N 3.18Å; F66-F116 HydrophobicContact CB-CD2 3.85Å; F66-F116 HydrophobicContact CB-CE2 4Å; F66-F116 AromaticContact CD1-CD2 3.9Å; F66-F116 HydrophobicContact CD1-CD2 3.9Å; F66-F116 AromaticContact CG-CD2 3.95Å; F66-F116 HydrophobicContact CG-CD2 3.95Å; F66-F116 HydrophobicContact CG-CE2 4.43Å; F66-V122 HydrophobicContact CD2-CG2 3.98Å; F66-V122 HydrophobicContact CE2-CG2 3.97Å
67C81.3Confident86.6Confident5 Ų558.1 Ų58.13%0.03430%0.298CS..THydrogen-bonded Turntrans-99.935.5-178.1-56.50000113.3L63 F69 T70 L71 E112L63-C67 PolarHBondContact O-N 3.27Å; C67-F69 PolarHBondContact O-N 3.35Å; C67-T70 PolarHBondContact O-N 3.11Å; C67-T70 PolarHBondContact O-OG1 2.82Å; C67-L71 HydrophobicContact CB-CD1 3.61Å; C67-L71 HydrophobicContact CB-CG 3.63Å; C67-L71 PolarHBondContact O-N 2.87Å; C67-E112 PolarHBondContact SG-OE2 3.15Å
68S67.7Low86.7Confident77 Ų7754.7 Ų54.754%0.53828%0.284SS..THydrogen-bonded Turntrans-49.8-27.4-166.9-76.80000116.7Y64 K65Y64-S68 WeakPolarHBondContact O-CA 3.44Å; Y64-S68 PolarHBondContact O-OG 2.71Å; K65-S68 PolarHBondContact O-OG 3.4Å
69F67.6Low86.9Confident208 Ų20853.6 Ų53.691%0.91228%0.277SS*.THydrogen-bonded Turntrans-106-9-176.7-61.5-70.7000115.1C67C67-F69 PolarHBondContact O-N 3.35Å
70T77.6Confident87.1Confident58 Ų5853.6 Ų53.636%0.35628%0.277SS..THydrogen-bonded Turntrans-111.5-21.8-172.353.20000114.4C67 Y109 E112C67-T70 PolarHBondContact O-N 3.11Å; C67-T70 PolarHBondContact O-OG1 2.82Å; T70-Y109 WeakPolarHBondContact O-CE1 3.36Å; T70-E112 VanDerWaalsContact CB-OE1 3.26Å; T70-E112 WeakPolarHBondContact CB-OE1 3.37Å; T70-E112 WeakPolarHBondContact CG2-OE1 3.46Å; T70-E112 PolarHBondContact OG1-OE1 2.91Å
71L85.9Confident87.2Confident12 Ų1253.5 Ų53.56%0.06328%0.276CS..  trans-100.2125-178.4-58.4-174.2000112.8L63 Y64 C67 F79 Y109 E112L63-L71 HydrophobicContact CD1-CD1 4.06Å; L63-L71 HydrophobicContact CD2-CD1 3.92Å; L63-L71 HydrophobicContact CG-CD1 3.67Å; Y64-L71 HydrophobicContact CD1-CB 4.03Å; Y64-L71 HydrophobicContact CE1-CB 3.58Å; C67-L71 HydrophobicContact CB-CD1 3.61Å; C67-L71 HydrophobicContact CB-CG 3.63Å; C67-L71 PolarHBondContact O-N 2.87Å; L71-F79 HydrophobicContact CD1-CE2 3.92Å; L71-F79 HydrophobicContact CD1-CZ 3.87Å; L71-F79 HydrophobicContact CD2-CE2 4.22Å; L71-F79 HydrophobicContact CD2-CZ 3.74Å; L71-F79 HydrophobicContact CG-CE2 4.44Å; L71-F79 HydrophobicContact CG-CZ 4.34Å; L71-Y109 HydrophobicContact CD2-CD1 3.55Å; L71-Y109 HydrophobicContact CD2-CE1 4.19Å; L71-Y109 HydrophobicContact CD2-CG 4.24Å; L71-E112 HydrophobicContact CD2-CB 3.9Å; L71-E112 HydrophobicContact CD2-CG 4.1Å
72L87.1Confident87.3Confident89 Ų8950.5 Ų50.547%0.46626%0.258SS..  trans-76.5132.3174.3-174.974.5000110.1Y64 S74 F75Y64-L72 PolarHBondContact OH-O 3.5Å; L72-S74 PolarHBondContact O-N 3.33Å; L72-F75 HydrophobicContact CB-CD2 3.99Å; L72-F75 HydrophobicContact CB-CE2 4.16Å; L72-F75 HydrophobicContact CD2-CD2 4.36Å; L72-F75 HydrophobicContact CD2-CE2 3.88Å; L72-F75 PolarHBondContact O-N 3.4Å
73P84.7Confident87.5Confident80 Ų8048.2 Ų48.252%0.51925%0.248SC..G310 helixtrans-59.4-16-177-2937000116.5F75 K76P73-F75 VanDerWaalsContact C-N 3.31Å; P73-F75 PolarHBondContact O-N 3.02Å; P73-K76 WeakPolarHBondContact O-CG 3.36Å
74S86.7Confident87.6Confident77 Ų7749.3 Ų49.354%0.53825%0.252SS..G310 helixtrans-66.3-28.5178.9-490000113.9L72 K76L72-S74 PolarHBondContact O-N 3.33Å; S74-K76 VanDerWaalsContact C-N 3.26Å; S74-K76 PolarHBondContact O-N 2.98Å
75F89Confident87.8Confident43 Ų4347.8 Ų47.819%0.18925%0.246CC..G310 helixtrans-8715.8-175-63.5-82.8000113.8L72 P73 S77 E78 F79 Y109L72-F75 HydrophobicContact CB-CD2 3.99Å; L72-F75 HydrophobicContact CB-CE2 4.16Å; L72-F75 HydrophobicContact CD2-CD2 4.36Å; L72-F75 HydrophobicContact CD2-CE2 3.88Å; L72-F75 PolarHBondContact O-N 3.4Å; P73-F75 VanDerWaalsContact C-N 3.31Å; P73-F75 PolarHBondContact O-N 3.02Å; F75-S77 VanDerWaalsContact C-N 3.29Å; F75-S77 PolarHBondContact O-N 2.99Å; F75-E78 VanDerWaalsContact C-OE2 3.31Å; F75-E78 WeakPolarHBondContact CA-OE2 3.21Å; F75-E78 HydrophobicContact CD1-CG 4.31Å; F75-E78 WeakPolarHBondContact CD1-OE1 3.45Å; F75-E78 WeakPolarHBondContact O-CB 3.38Å; F75-E78 PolarHBondContact O-N 2.78Å; F75-F79 HydrophobicContact CB-CD2 4.31Å; F75-F79 HydrophobicContact CB-CE2 3.97Å; F75-F79 WeakPolarHBondContact O-CD2 3.43Å; F75-F79 PolarHBondContact O-N 2.89Å; F75-F79 VanDerWaalsContact O-N 3.12Å; F75-Y109 HydrophobicContact CD1-CE2 4.34Å; F75-Y109 HydrophobicContact CD2-CD2 4.22Å; F75-Y109 AromaticContact CD2-CE2 3.5Å; F75-Y109 HydrophobicContact CD2-CE2 3.5Å; F75-Y109 VanDerWaalsContact CD2-CE2 3.5Å; F75-Y109 HydrophobicContact CE1-CE2 4.31Å; F75-Y109 HydrophobicContact CE2-CD2 4.45Å; F75-Y109 AromaticContact CE2-CE2 3.44Å; F75-Y109 HydrophobicContact CE2-CE2 3.44Å; F75-Y109 VanDerWaalsContact CE2-CE2 3.44Å; F75-Y109 AromaticContact CE2-CZ 3.98Å; F75-Y109 HydrophobicContact CG-CD2 4.28Å; F75-Y109 AromaticContact CG-CE2 3.98Å; F75-Y109 HydrophobicContact CG-CE2 3.98Å; F75-Y109 AromaticContact CZ-CE2 3.89Å; F75-Y109 HydrophobicContact CZ-CE2 3.89Å
76K92Very high87.9Confident79 Ų7941.5 Ų41.534%0.34322%0.219SC..Hα-helixtrans-60.5-36.6-177.9-82.7176.5178.8-176.30113W20 V60 Y64 P73 S74 F79 V80W20-K76 HydrophobicContact CZ2-CB 4.13Å; V60-K76 HydrophobicContact CG1-CB 4.31Å; V60-K76 HydrophobicContact CG1-CG 4.01Å; Y64-K76 HydrophobicContact CD2-CG 4.1Å; Y64-K76 HydrophobicContact CE2-CB 4.46Å; Y64-K76 HydrophobicContact CE2-CD 4.39Å; Y64-K76 HydrophobicContact CE2-CG 3.4Å; P73-K76 WeakPolarHBondContact O-CG 3.36Å; S74-K76 VanDerWaalsContact C-N 3.26Å; S74-K76 PolarHBondContact O-N 2.98Å; K76-F79 PolarHBondContact O-N 2.71Å; K76-V80 WeakPolarHBondContact O-CG2 3.31Å; K76-V80 PolarHBondContact O-N 3.33Å
77S93.3Very high88.1Confident4 Ų437.6 Ų37.63%0.02820%0.202CC..Hα-helixtrans-63.6-42.6177.221.70000112.2F75 V80 F81F75-S77 VanDerWaalsContact C-N 3.29Å; F75-S77 PolarHBondContact O-N 2.99Å; S77-V80 WeakPolarHBondContact O-CB 3.46Å; S77-V80 PolarHBondContact O-N 3.13Å; S77-F81 PolarHBondContact O-N 3.49Å
78E94.5Very high88.5Confident28 Ų2839.3 Ų39.313%0.13121%0.211CC..Hα-helixtrans-65.5-39.3178.4-62.586.9134.200110.8F8 V12 F75 F81 L82 M105F8-E78 HydrophobicContact CZ-CB 4.26Å; F8-E78 HydrophobicContact CZ-CG 4.08Å; V12-E78 HydrophobicContact CG1-CG 3.69Å; V12-E78 HydrophobicContact CG2-CG 4.09Å; F75-E78 VanDerWaalsContact C-OE2 3.31Å; F75-E78 WeakPolarHBondContact CA-OE2 3.21Å; F75-E78 HydrophobicContact CD1-CG 4.31Å; F75-E78 WeakPolarHBondContact CD1-OE1 3.45Å; F75-E78 WeakPolarHBondContact O-CB 3.38Å; F75-E78 PolarHBondContact O-N 2.78Å; E78-F81 PolarHBondContact O-N 3.1Å; E78-L82 PolarHBondContact O-N 3.27Å; E78-M105 HydrophobicContact CB-CE 3.77Å; E78-M105 HydrophobicContact CB-CG 4.5Å; E78-M105 HydrophobicContact CB-SD 3.73Å
79F94.6Very high89.5Confident1 Ų135.7 Ų35.70%0.00419%0.185CC..Hα-helixtrans-70.5-34.2172.3-66.5-59.1000113.6V60 L63 Y64 L71 F75 K76 F81 L82 F83 M105 Y109 F113V60-F79 HydrophobicContact CG2-CB 4.1Å; L63-F79 HydrophobicContact CD2-CB 4.02Å; L63-F79 HydrophobicContact CD2-CD1 3.59Å; L63-F79 HydrophobicContact CD2-CD2 4.04Å; L63-F79 HydrophobicContact CD2-CE1 4Å; L63-F79 HydrophobicContact CD2-CE2 4.41Å; L63-F79 HydrophobicContact CD2-CG 3.61Å; L63-F79 HydrophobicContact CD2-CZ 4.38Å; Y64-F79 AromaticContact CE2-CD2 3.75Å; Y64-F79 HydrophobicContact CE2-CD2 3.75Å; Y64-F79 HydrophobicContact CE2-CE2 4.16Å; L71-F79 HydrophobicContact CD1-CE2 3.92Å; L71-F79 HydrophobicContact CD1-CZ 3.87Å; L71-F79 HydrophobicContact CD2-CE2 4.22Å; L71-F79 HydrophobicContact CD2-CZ 3.74Å; L71-F79 HydrophobicContact CG-CE2 4.44Å; L71-F79 HydrophobicContact CG-CZ 4.34Å; F75-F79 HydrophobicContact CB-CD2 4.31Å; F75-F79 HydrophobicContact CB-CE2 3.97Å; F75-F79 WeakPolarHBondContact O-CD2 3.43Å; F75-F79 PolarHBondContact O-N 2.89Å; F75-F79 VanDerWaalsContact O-N 3.12Å; K76-F79 PolarHBondContact O-N 2.71Å; F79-F81 VanDerWaalsContact C-N 3.31Å; F79-F81 PolarHBondContact O-N 3.08Å; F79-L82 PolarHBondContact O-N 3.48Å; F79-F83 WeakPolarHBondContact O-CB 3.36Å; F79-F83 WeakPolarHBondContact O-CD2 3.22Å; F79-F83 PolarHBondContact O-N 3.3Å; F79-M105 HydrophobicContact CD1-CE 4.21Å; F79-M105 HydrophobicContact CE1-CE 3.79Å; F79-M105 HydrophobicContact CE2-CE 4.45Å; F79-M105 HydrophobicContact CZ-CE 3.93Å; F79-Y109 HydrophobicContact CZ-CG 4.37Å; F79-F113 HydrophobicContact CD1-CB 4.47Å; F79-F113 AromaticContact CD1-CD2 3.89Å; F79-F113 HydrophobicContact CD1-CD2 3.89Å; F79-F113 HydrophobicContact CD1-CG 4.47Å; F79-F113 HydrophobicContact CE1-CB 4.12Å; F79-F113 HydrophobicContact CE1-CD2 4.37Å
80V95.6Very high90.6Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-58.7-46.1170.4170.40000110.1I15 F19 W20 I49 L56 V60 K76 S77 F83 Y84I15-V80 HydrophobicContact CD1-CG1 4.36Å; I15-V80 HydrophobicContact CG2-CB 3.9Å; I15-V80 HydrophobicContact CG2-CG1 3.94Å; I15-V80 HydrophobicContact CG2-CG2 4.29Å; F19-V80 HydrophobicContact CD1-CG1 4.28Å; F19-V80 HydrophobicContact CD1-CG2 3.83Å; F19-V80 HydrophobicContact CD2-CG1 3.9Å; F19-V80 HydrophobicContact CE1-CG1 4.03Å; F19-V80 HydrophobicContact CE1-CG2 3.56Å; F19-V80 HydrophobicContact CE2-CG1 3.6Å; F19-V80 HydrophobicContact CG-CG1 4.24Å; F19-V80 HydrophobicContact CG-CG2 4.5Å; F19-V80 HydrophobicContact CZ-CG1 3.68Å; F19-V80 HydrophobicContact CZ-CG2 4Å; W20-V80 HydrophobicContact CZ2-CG2 3.88Å; I49-V80 HydrophobicContact CG2-CG1 3.83Å; L56-V80 HydrophobicContact CB-CG1 4.49Å; L56-V80 HydrophobicContact CD1-CG1 4.22Å; V60-V80 HydrophobicContact CG2-CB 4.48Å; V60-V80 HydrophobicContact CG2-CG2 3.74Å; K76-V80 WeakPolarHBondContact O-CG2 3.31Å; K76-V80 PolarHBondContact O-N 3.33Å; S77-V80 WeakPolarHBondContact O-CB 3.46Å; S77-V80 PolarHBondContact O-N 3.13Å; V80-F83 PolarHBondContact O-N 3.27Å; V80-Y84 PolarHBondContact O-N 3.08Å
81F95.5Very high91.1Very high0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-62.1-49.6177.6-174.1-83.1000111.8L7 F8 T11 V12 I15 L45 I49 S77 E78 F79 F83 Y84 V85 F101L7-F81 HydrophobicContact CD2-CZ 4.33Å; F8-F81 AromaticContact CD2-CD1 3.55Å; F8-F81 HydrophobicContact CD2-CD1 3.55Å; F8-F81 AromaticContact CD2-CE1 3.66Å; F8-F81 HydrophobicContact CD2-CE1 3.66Å; F8-F81 HydrophobicContact CD2-CG 4.08Å; F8-F81 HydrophobicContact CD2-CZ 4.26Å; F8-F81 AromaticContact CE2-CD1 3.78Å; F8-F81 HydrophobicContact CE2-CD1 3.78Å; F8-F81 HydrophobicContact CE2-CE1 4.31Å; F8-F81 HydrophobicContact CE2-CG 4.25Å; T11-F81 HydrophobicContact CG2-CE2 4.3Å; T11-F81 VanDerWaalsContact OG1-CD2 3.25Å; T11-F81 WeakPolarHBondContact OG1-CD2 3.46Å; T11-F81 WeakPolarHBondContact OG1-CE2 3.45Å; V12-F81 HydrophobicContact CG2-CB 4.2Å; I15-F81 HydrophobicContact CD1-CB 4Å; I15-F81 HydrophobicContact CD1-CD2 4.23Å; L45-F81 HydrophobicContact CD2-CE2 3.92Å; L45-F81 HydrophobicContact CD2-CZ 4.34Å; I49-F81 HydrophobicContact CD1-CD2 3.94Å; I49-F81 HydrophobicContact CD1-CE2 4.38Å; S77-F81 PolarHBondContact O-N 3.49Å; E78-F81 PolarHBondContact O-N 3.1Å; F79-F81 VanDerWaalsContact C-N 3.31Å; F79-F81 PolarHBondContact O-N 3.08Å; F81-F83 PolarHBondContact O-N 2.9Å; F81-Y84 PolarHBondContact O-N 3Å; F81-V85 HydrophobicContact CD1-CG2 3.91Å; F81-V85 HydrophobicContact CE1-CG2 3.44Å; F81-V85 VanDerWaalsContact CE1-CG2 3.44Å; F81-V85 HydrophobicContact CZ-CG2 3.93Å; F81-V85 PolarHBondContact O-N 3.41Å; F81-F101 HydrophobicContact CE1-CB 4.39Å; F81-F101 AromaticContact CE1-CD1 3.69Å; F81-F101 HydrophobicContact CE1-CD1 3.69Å; F81-F101 AromaticContact CE1-CD2 3.88Å; F81-F101 HydrophobicContact CE1-CD2 3.88Å; F81-F101 AromaticContact CE1-CE1 3.77Å; F81-F101 HydrophobicContact CE1-CE1 3.77Å; F81-F101 AromaticContact CE1-CE2 3.95Å; F81-F101 HydrophobicContact CE1-CE2 3.95Å; F81-F101 AromaticContact CE1-CG 3.74Å; F81-F101 HydrophobicContact CE1-CG 3.74Å; F81-F101 AromaticContact CE1-CZ 3.88Å; F81-F101 HydrophobicContact CE1-CZ 3.88Å; F81-F101 HydrophobicContact CZ-CD1 4.14Å; F81-F101 AromaticContact CZ-CE1 3.73Å; F81-F101 HydrophobicContact CZ-CE1 3.73Å; F81-F101 HydrophobicContact CZ-CE2 4.15Å; F81-F101 AromaticContact CZ-CZ 3.72Å; F81-F101 HydrophobicContact CZ-CZ 3.72Å
82L93.9Very high91.2Very high0 Ų033.8 Ų33.80%018%0.182CC..Hα-helixtrans-61.6-40.6178.2-73.6-170.6000112.5E78 F79 Y84 V85 S86 F101 L102 M105 F113E78-L82 PolarHBondContact O-N 3.27Å; F79-L82 PolarHBondContact O-N 3.48Å; L82-Y84 VanDerWaalsContact C-N 3.35Å; L82-Y84 PolarHBondContact O-N 3.35Å; L82-V85 PolarHBondContact O-N 2.88Å; L82-S86 WeakPolarHBondContact O-CB 3.31Å; L82-S86 PolarHBondContact O-N 2.9Å; L82-S86 PolarHBondContact O-OG 3.26Å; L82-F101 HydrophobicContact CD2-CB 3.96Å; L82-L102 HydrophobicContact CD1-CD2 3.95Å; L82-L102 HydrophobicContact CD2-CD2 4.34Å; L82-M105 HydrophobicContact CD1-SD 3.39Å; L82-M105 WeakPolarHBondContact CD1-SD 3.28Å; L82-M105 HydrophobicContact CG-SD 3.91Å; L82-F113 HydrophobicContact CB-CD1 4.42Å; L82-F113 HydrophobicContact CB-CD2 4.42Å; L82-F113 HydrophobicContact CB-CE1 3.83Å; L82-F113 HydrophobicContact CB-CE2 3.83Å; L82-F113 HydrophobicContact CB-CZ 3.51Å; L82-F113 HydrophobicContact CD1-CD1 3.93Å; L82-F113 HydrophobicContact CD1-CD2 4.48Å; L82-F113 HydrophobicContact CD1-CE1 4.11Å; L82-F113 HydrophobicContact CD1-CG 4.13Å; L82-F113 HydrophobicContact CD1-CZ 4.47Å
83F93.9Very high91.3Very high1 Ų131.9 Ų31.90%0.00417%0.17CC..Hα-helixtrans-62.3-40.9174.6-82.5-59.8000112.2L56 C59 V60 L63 F79 V80 F81 S86 L87 F113 F116 L117L56-F83 HydrophobicContact CD2-CB 3.72Å; C59-F83 HydrophobicContact CB-CB 4.41Å; C59-F83 HydrophobicContact CB-CD1 3.76Å; C59-F83 HydrophobicContact CB-CD2 3.65Å; C59-F83 HydrophobicContact CB-CE1 3.86Å; C59-F83 HydrophobicContact CB-CE2 3.75Å; C59-F83 HydrophobicContact CB-CG 3.68Å; C59-F83 HydrophobicContact CB-CZ 3.86Å; V60-F83 HydrophobicContact CG2-CD2 3.61Å; V60-F83 HydrophobicContact CG2-CE2 3.9Å; L63-F83 HydrophobicContact CB-CE2 4.08Å; L63-F83 HydrophobicContact CB-CZ 4.03Å; L63-F83 HydrophobicContact CD2-CE2 3.78Å; L63-F83 HydrophobicContact CD2-CZ 4.05Å; L63-F83 HydrophobicContact CG-CE2 4.5Å; L63-F83 HydrophobicContact CG-CZ 4.46Å; F79-F83 WeakPolarHBondContact O-CB 3.36Å; F79-F83 WeakPolarHBondContact O-CD2 3.22Å; F79-F83 PolarHBondContact O-N 3.3Å; V80-F83 PolarHBondContact O-N 3.27Å; F81-F83 PolarHBondContact O-N 2.9Å; F83-S86 PolarHBondContact O-N 3.1Å; F83-L87 HydrophobicContact CB-CD1 4.32Å; F83-L87 HydrophobicContact CD1-CD1 4.49Å; F83-L87 VanDerWaalsContact O-CB 3.26Å; F83-L87 WeakPolarHBondContact O-CB 3.27Å; F83-L87 WeakPolarHBondContact O-CD1 3.11Å; F83-L87 VanDerWaalsContact O-CG 3.32Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; F83-L87 PolarHBondContact O-N 3.26Å; F83-F113 AromaticContact CD1-CE2 3.7Å; F83-F113 HydrophobicContact CD1-CE2 3.7Å; F83-F113 HydrophobicContact CD1-CZ 4.12Å; F83-F113 HydrophobicContact CD2-CE2 4.03Å; F83-F113 HydrophobicContact CE1-CD2 4.39Å; F83-F113 AromaticContact CE1-CE2 3.63Å; F83-F113 HydrophobicContact CE1-CE2 3.63Å; F83-F113 HydrophobicContact CE1-CZ 4.32Å; F83-F113 HydrophobicContact CE2-CD2 4.44Å; F83-F113 AromaticContact CE2-CE2 3.97Å; F83-F113 HydrophobicContact CE2-CE2 3.97Å; F83-F113 AromaticContact CG-CE2 3.88Å; F83-F113 HydrophobicContact CG-CE2 3.88Å; F83-F113 HydrophobicContact CG-CZ 4.43Å; F83-F113 HydrophobicContact CZ-CD2 4.18Å; F83-F113 AromaticContact CZ-CE2 3.76Å; F83-F113 HydrophobicContact CZ-CE2 3.76Å; F83-F116 AromaticContact CE1-CD1 3.87Å; F83-F116 HydrophobicContact CE1-CD1 3.87Å; F83-F116 AromaticContact CE1-CE1 3.68Å; F83-F116 HydrophobicContact CE1-CE1 3.68Å; F83-F116 AromaticContact CZ-CD1 3.67Å; F83-F116 HydrophobicContact CZ-CD1 3.67Å; F83-F116 AromaticContact CZ-CE1 3.45Å; F83-F116 HydrophobicContact CZ-CE1 3.45Å; F83-F116 VanDerWaalsContact CZ-CE1 3.45Å; F83-F116 HydrophobicContact CZ-CZ 4.41Å; F83-L117 HydrophobicContact CD1-CD2 4.14Å; F83-L117 HydrophobicContact CE1-CD2 3.84Å
84Y94.4Very high91.5Very high22 Ų2229 Ų299%0.08616%0.155CC..Hα-helixtrans-60.7-48.3174.7173.7-92.2000111.3L45 E48 I49 F52 L56 V80 F81 L82 S86 L87 L88 G89 F93L45-Y84 HydrophobicContact CD1-CD1 4.34Å; L45-Y84 HydrophobicContact CD1-CE1 3.54Å; E48-Y84 HydrophobicContact CB-CE2 4.36Å; I49-Y84 HydrophobicContact CB-CD2 4.47Å; I49-Y84 HydrophobicContact CD1-CD1 4.09Å; I49-Y84 HydrophobicContact CD1-CG 4.16Å; I49-Y84 HydrophobicContact CG1-CD1 3.77Å; I49-Y84 HydrophobicContact CG1-CD2 3.64Å; I49-Y84 HydrophobicContact CG1-CE1 4.18Å; I49-Y84 HydrophobicContact CG1-CE2 4.04Å; I49-Y84 HydrophobicContact CG1-CG 3.48Å; I49-Y84 VanDerWaalsContact CG1-CG 3.48Å; F52-Y84 HydrophobicContact CD2-CD2 4.47Å; F52-Y84 HydrophobicContact CD2-CE2 4.01Å; F52-Y84 HydrophobicContact CE2-CE2 4.45Å; L56-Y84 HydrophobicContact CD1-CD2 4.32Å; V80-Y84 PolarHBondContact O-N 3.08Å; F81-Y84 PolarHBondContact O-N 3Å; L82-Y84 VanDerWaalsContact C-N 3.35Å; L82-Y84 PolarHBondContact O-N 3.35Å; Y84-S86 VanDerWaalsContact C-N 3.35Å; Y84-S86 PolarHBondContact O-N 3.03Å; Y84-L87 PolarHBondContact O-N 2.85Å; Y84-L88 HydrophobicContact CD2-CB 4.27Å; Y84-L88 HydrophobicContact CD2-CD1 3.95Å; Y84-L88 HydrophobicContact CE2-CB 4.14Å; Y84-L88 HydrophobicContact CE2-CD1 4.11Å; Y84-L88 PolarHBondContact O-N 3.1Å; Y84-G89 PolarHBondContact O-N 3.28Å; Y84-F93 HydrophobicContact CE1-CE2 4.49Å
85V93.4Very high91.7Very high0 Ų029.7 Ų29.70%015%0.15CC..Hα-helixtrans-61.1-43.9178.1176.60000111.2F81 L82 G89 M90 F93 L98 F101F81-V85 HydrophobicContact CD1-CG2 3.91Å; F81-V85 HydrophobicContact CE1-CG2 3.44Å; F81-V85 VanDerWaalsContact CE1-CG2 3.44Å; F81-V85 HydrophobicContact CZ-CG2 3.93Å; F81-V85 PolarHBondContact O-N 3.41Å; L82-V85 PolarHBondContact O-N 2.88Å; V85-G89 CarbonylContact O-C 3.55Å; V85-G89 VanDerWaalsContact O-C 3.23Å; V85-G89 WeakPolarHBondContact O-CA 3.47Å; V85-G89 PolarHBondContact O-N 2.99Å; V85-G89 VanDerWaalsContact O-N 3.15Å; V85-M90 WeakPolarHBondContact O-CG 3.45Å; V85-M90 PolarHBondContact O-N 2.88Å; V85-F93 HydrophobicContact CG1-CB 4.46Å; V85-F93 HydrophobicContact CG1-CD2 4.06Å; V85-F93 HydrophobicContact CG2-CD2 4.01Å; V85-F93 HydrophobicContact CG2-CE2 4.05Å; V85-L98 HydrophobicContact CG1-CD1 3.86Å; V85-F101 HydrophobicContact CG1-CD2 4.05Å; V85-F101 HydrophobicContact CG1-CE2 4.25Å; V85-F101 HydrophobicContact CG2-CD2 4.04Å; V85-F101 HydrophobicContact CG2-CE2 3.96Å
86S91.1Very high91.7Very high1 Ų132.7 Ų32.71%0.00717%0.168CC..Hα-helixtrans-73.4-28.3-177.6-57.90000114.8L82 F83 Y84 M90 F113L82-S86 WeakPolarHBondContact O-CB 3.31Å; L82-S86 PolarHBondContact O-N 2.9Å; L82-S86 PolarHBondContact O-OG 3.26Å; F83-S86 PolarHBondContact O-N 3.1Å; Y84-S86 VanDerWaalsContact C-N 3.35Å; Y84-S86 PolarHBondContact O-N 3.03Å; S86-M90 WeakPolarHBondContact O-CG 3.48Å; S86-F113 WeakPolarHBondContact OG-CE1 3.26Å
87L90.1Very high91.6Very high5 Ų529 Ų293%0.02615%0.152CC..Hα-helixtrans-91.6-40.5-179.9-70.9163.4000113.1I55 L56 F83 Y84 W130 L147I55-L87 HydrophobicContact CG2-CD1 4.49Å; L56-L87 HydrophobicContact CD2-CD1 4.04Å; F83-L87 HydrophobicContact CB-CD1 4.32Å; F83-L87 HydrophobicContact CD1-CD1 4.49Å; F83-L87 VanDerWaalsContact O-CB 3.26Å; F83-L87 WeakPolarHBondContact O-CB 3.27Å; F83-L87 WeakPolarHBondContact O-CD1 3.11Å; F83-L87 VanDerWaalsContact O-CG 3.32Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; F83-L87 PolarHBondContact O-N 3.26Å; Y84-L87 PolarHBondContact O-N 2.85Å; L87-W130 HydrophobicContact CD1-CH2 4.47Å; L87-W130 HydrophobicContact CD1-CZ2 4.08Å; L87-W130 HydrophobicContact CD2-CH2 3.54Å; L87-W130 HydrophobicContact CD2-CZ2 4Å; L87-W130 HydrophobicContact CD2-CZ3 4.46Å; L87-L147 HydrophobicContact CD2-CD1 3.52Å
88L90.6Very high91.5Very high41 Ų4128.9 Ų28.922%0.21515%0.151CC..THydrogen-bonded Turntrans-128.8-31.5-165.5-65.1161.8000112.4F52 Y84 L143F52-L88 HydrophobicContact CB-CD1 3.77Å; F52-L88 HydrophobicContact CD1-CD1 3.82Å; F52-L88 HydrophobicContact CD2-CD1 3.58Å; F52-L88 HydrophobicContact CE1-CD1 4.28Å; F52-L88 HydrophobicContact CE1-CD2 4.46Å; F52-L88 HydrophobicContact CE2-CD1 4.08Å; F52-L88 HydrophobicContact CG-CD1 3.42Å; F52-L88 VanDerWaalsContact CG-CD1 3.42Å; F52-L88 HydrophobicContact CZ-CD1 4.39Å; Y84-L88 HydrophobicContact CD2-CB 4.27Å; Y84-L88 HydrophobicContact CD2-CD1 3.95Å; Y84-L88 HydrophobicContact CE2-CB 4.14Å; Y84-L88 HydrophobicContact CE2-CD1 4.11Å; Y84-L88 PolarHBondContact O-N 3.1Å; L88-L143 HydrophobicContact CD2-CD2 3.97Å
89G88.9Confident91.3Very high0 Ų034.4 Ų34.40%017%0.171CC..SBendtrans-85.6-3.1-178.500000115.7Y84 V85 E91 T92 F93Y84-G89 PolarHBondContact O-N 3.28Å; V85-G89 CarbonylContact O-C 3.55Å; V85-G89 VanDerWaalsContact O-C 3.23Å; V85-G89 WeakPolarHBondContact O-CA 3.47Å; V85-G89 PolarHBondContact O-N 2.99Å; V85-G89 VanDerWaalsContact O-N 3.15Å; G89-E91 VanDerWaalsContact C-N 3.26Å; G89-E91 PolarHBondContact O-N 3.21Å; G89-T92 PolarHBondContact O-N 3.1Å; G89-T92 VanDerWaalsContact O-N 3.09Å; G89-T92 PolarHBondContact O-OG1 2.91Å; G89-T92 VanDerWaalsContact O-OG1 3.05Å; G89-F93 WeakPolarHBondContact O-CB 3.34Å; G89-F93 WeakPolarHBondContact O-CD2 3.48Å; G89-F93 PolarHBondContact O-N 2.96Å
90M90.1Very high91Very high5 Ų537.9 Ų37.93%0.02519%0.187CC..Hα-helixtrans-63.9-32.8-177-71.9-56.6-64.300112.4V85 S86 T92 G94 L98 W150 F154V85-M90 WeakPolarHBondContact O-CG 3.45Å; V85-M90 PolarHBondContact O-N 2.88Å; S86-M90 WeakPolarHBondContact O-CG 3.48Å; M90-T92 VanDerWaalsContact C-N 3.33Å; M90-G94 WeakPolarHBondContact O-CA 3.44Å; M90-G94 PolarHBondContact O-N 2.68Å; M90-L98 HydrophobicContact SD-CB 4.3Å; M90-L98 HydrophobicContact SD-CD1 3.91Å; M90-L98 HydrophobicContact SD-CG 4.48Å; M90-W150 VanDerWaalsContact CB-CD1 3.42Å; M90-W150 HydrophobicContact CB-CD2 3.91Å; M90-W150 HydrophobicContact CB-CG 3.77Å; M90-W150 HydrophobicContact CB-CZ2 4.39Å; M90-W150 HydrophobicContact CE-CB 4.24Å; M90-W150 HydrophobicContact CE-CD2 3.63Å; M90-W150 HydrophobicContact CE-CE3 3.47Å; M90-W150 VanDerWaalsContact CE-CE3 3.47Å; M90-W150 HydrophobicContact CE-CG 3.97Å; M90-W150 HydrophobicContact CE-CZ3 4.04Å; M90-W150 HydrophobicContact CG-CB 4.28Å; M90-W150 HydrophobicContact CG-CD2 4.33Å; M90-W150 HydrophobicContact CG-CG 3.93Å; M90-F154 HydrophobicContact CE-CE1 4.12Å; M90-F154 HydrophobicContact CE-CZ 4.38Å; M90-F154 HydrophobicContact CG-CE1 4.47Å; M90-F154 HydrophobicContact CG-CZ 4.01Å; M90-F154 HydrophobicContact SD-CE1 3.87Å; M90-F154 HydrophobicContact SD-CZ 4.02Å
91E87.6Confident90.9Very high130 Ų13037.9 Ų37.961%0.60719%0.187SC*.Hα-helixtrans-74.7-20.9176.3-58.3-166.9148.900113G89 R149G89-E91 VanDerWaalsContact C-N 3.26Å; G89-E91 PolarHBondContact O-N 3.21Å; E91-R149 IonicContact OE1-NH1 3.03Å; E91-R149 PolarHBondContact OE1-NH1 3.48Å
92T88Confident90.7Very high104 Ų10438.4 Ų38.464%0.63819%0.19SC*.Hα-helixtrans-100-30-179.160.30000114G89 M90G89-T92 PolarHBondContact O-N 3.1Å; G89-T92 VanDerWaalsContact O-N 3.09Å; G89-T92 PolarHBondContact O-OG1 2.91Å; G89-T92 VanDerWaalsContact O-OG1 3.05Å; M90-T92 VanDerWaalsContact C-N 3.33Å
93F89.4Confident90.4Very high48 Ų4843.3 Ų43.321%0.21122%0.223CC..Hα-helixtrans-107.4-26.5-178.8-63.8-66.7000113.8L4 L45 Y84 V85 G89 G97 F101L4-F93 HydrophobicContact CD2-CD1 4.25Å; L4-F93 HydrophobicContact CD2-CE1 4.33Å; L45-F93 HydrophobicContact CD1-CE2 4.47Å; L45-F93 HydrophobicContact CD1-CZ 4.27Å; L45-F93 HydrophobicContact CD2-CZ 3.83Å; Y84-F93 HydrophobicContact CE1-CE2 4.49Å; V85-F93 HydrophobicContact CG1-CB 4.46Å; V85-F93 HydrophobicContact CG1-CD2 4.06Å; V85-F93 HydrophobicContact CG2-CD2 4.01Å; V85-F93 HydrophobicContact CG2-CE2 4.05Å; G89-F93 WeakPolarHBondContact O-CB 3.34Å; G89-F93 WeakPolarHBondContact O-CD2 3.48Å; G89-F93 PolarHBondContact O-N 2.96Å; F93-G97 WeakPolarHBondContact O-CA 3.43Å; F93-G97 PolarHBondContact O-N 3.06Å; F93-F101 HydrophobicContact CB-CE2 4.25Å; F93-F101 AromaticContact CD1-CE2 3.82Å; F93-F101 HydrophobicContact CD1-CE2 3.82Å; F93-F101 AromaticContact CD1-CZ 3.95Å; F93-F101 HydrophobicContact CD1-CZ 3.95Å; F93-F101 HydrophobicContact CD2-CE2 4.14Å; F93-F101 HydrophobicContact CE1-CE2 4.17Å; F93-F101 AromaticContact CE1-CZ 3.92Å; F93-F101 HydrophobicContact CE1-CZ 3.92Å; F93-F101 HydrophobicContact CE2-CE2 4.46Å; F93-F101 AromaticContact CG-CE2 3.81Å; F93-F101 HydrophobicContact CG-CE2 3.81Å; F93-F101 HydrophobicContact CG-CZ 4.39Å; F93-F101 HydrophobicContact CZ-CE2 4.48Å; F93-F101 HydrophobicContact CZ-CZ 4.34Å
94G89.9Confident90.2Very high20 Ų2045.5 Ų45.521%0.20624%0.238CC..Hα-helixtrans61.6-177.8-176.500000115.1M90 N96 G97 L98M90-G94 WeakPolarHBondContact O-CA 3.44Å; M90-G94 PolarHBondContact O-N 2.68Å; G94-N96 VanDerWaalsContact C-N 3.29Å; G94-N96 PolarHBondContact O-N 3.25Å; G94-G97 PolarHBondContact O-N 3.29Å; G94-L98 PolarHBondContact O-N 3.31Å
95E90.1Very high90Very high92 Ų9245.4 Ų45.443%0.4324%0.239SC..Hα-helixtrans-53.1-44.7175.2178.3175.7172.300112.4G97 L98 R99 V153 F157E95-G97 PolarHBondContact O-N 3.24Å; E95-L98 PolarHBondContact O-N 2.96Å; E95-R99 WeakPolarHBondContact O-CB 3.36Å; E95-R99 PolarHBondContact O-N 2.94Å; E95-V153 HydrophobicContact CB-CG1 4.06Å; E95-V153 HydrophobicContact CG-CG1 3.72Å; E95-F157 HydrophobicContact CG-CE2 3.72Å; E95-F157 HydrophobicContact CG-CZ 3.53Å
96N89.5Confident89.7Confident105 Ų10551.5 Ų51.556%0.56127%0.265SS*.Hα-helixtrans-64.1-38.8-179.9-79.6-44.1000112.7M1 G94 H100M1-N96 HydrophobicContact CE-CB 4.18Å; G94-N96 VanDerWaalsContact C-N 3.29Å; G94-N96 PolarHBondContact O-N 3.25Å; N96-H100 PolarHBondContact O-N 3.33Å; N96-H100 PolarHBondContact O-ND1 3.47Å
97G88.9Confident89.6Confident2 Ų254.8 Ų54.82%0.02129%0.285CS..Hα-helixtrans-67.9-47.6175.500000112F93 G94 E95 R99 H100 F101F93-G97 WeakPolarHBondContact O-CA 3.43Å; F93-G97 PolarHBondContact O-N 3.06Å; G94-G97 PolarHBondContact O-N 3.29Å; E95-G97 PolarHBondContact O-N 3.24Å; G97-R99 VanDerWaalsContact C-N 3.28Å; G97-R99 PolarHBondContact O-N 2.87Å; G97-H100 PolarHBondContact O-N 3.27Å; G97-H100 VanDerWaalsContact O-N 3.08Å; G97-F101 WeakPolarHBondContact O-CD2 3.45Å; G97-F101 WeakPolarHBondContact O-CG 3.36Å; G97-F101 PolarHBondContact O-N 3.06Å; G97-F101 VanDerWaalsContact O-N 3.07Å
98L91.1Very high89.4Confident1 Ų159.3 Ų59.31%0.00531%0.306CS..Hα-helixtrans-54.4-44.7174.7-170.993.1000111.3V85 M90 G94 E95 H100 F101 L102 F154 F157V85-L98 HydrophobicContact CG1-CD1 3.86Å; M90-L98 HydrophobicContact SD-CB 4.3Å; M90-L98 HydrophobicContact SD-CD1 3.91Å; M90-L98 HydrophobicContact SD-CG 4.48Å; G94-L98 PolarHBondContact O-N 3.31Å; E95-L98 PolarHBondContact O-N 2.96Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.43Å; L98-F101 PolarHBondContact O-N 2.66Å; L98-L102 HydrophobicContact CD2-CD1 3.88Å; L98-L102 HydrophobicContact CG-CD1 4.04Å; L98-L102 HydrophobicContact CG-CG 4.31Å; L98-L102 WeakPolarHBondContact O-CG 3.43Å; L98-L102 PolarHBondContact O-N 3.12Å; L98-F154 HydrophobicContact CD1-CE1 4.32Å; L98-F154 HydrophobicContact CD2-CD1 3.98Å; L98-F154 HydrophobicContact CD2-CE1 3.92Å; L98-F157 HydrophobicContact CD2-CD2 3.6Å; L98-F157 HydrophobicContact CD2-CE2 3.59Å
99R90.1Very high89.4Confident145 Ų14558.7 Ų58.755%0.54730%0.301SS..Hα-helixtrans-55.1-45.6176.4-170.3176.3179.9175-0.1112.4E95 G97 L102 C103 F157E95-R99 WeakPolarHBondContact O-CB 3.36Å; E95-R99 PolarHBondContact O-N 2.94Å; G97-R99 VanDerWaalsContact C-N 3.28Å; G97-R99 PolarHBondContact O-N 2.87Å; R99-L102 PolarHBondContact O-N 2.85Å; R99-C103 PolarHBondContact O-N 2.97Å; R99-C103 PolarHBondContact O-SG 3.42Å; R99-F157 HydrophobicContact CB-CE1 3.83Å; R99-F157 HydrophobicContact CB-CZ 3.75Å; R99-F157 HydrophobicContact CG-CE1 3.83Å; R99-F157 HydrophobicContact CG-CZ 4.27Å
100H89.7Confident89.5Confident73 Ų7358.8 Ų58.834%0.33830%0.302SS..Hα-helixtrans-66.9-39.2179.6-74.470.3000112.1M1 L4 N96 G97 L98 C103 C104M1-H100 WeakPolarHBondContact CE-CE1 3.43Å; M1-H100 WeakPolarHBondContact CE-ND1 3.49Å; L4-H100 HydrophobicContact CD1-CB 4.24Å; N96-H100 PolarHBondContact O-N 3.33Å; N96-H100 PolarHBondContact O-ND1 3.47Å; G97-H100 PolarHBondContact O-N 3.27Å; G97-H100 VanDerWaalsContact O-N 3.08Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.43Å; H100-C103 PolarHBondContact O-N 3.4Å; H100-C104 PolarHBondContact O-N 2.97Å; H100-C104 PolarHBondContact O-SG 3.06Å
101F92.4Very high89.4Confident0 Ų061 Ų610%031%0.311CS..Hα-helixtrans-68.3-38.3175.9-59.8-49.5000112.7L4 L7 F8 F81 L82 V85 F93 G97 L98 C103 C104L4-F101 HydrophobicContact CB-CE1 4.22Å; L4-F101 HydrophobicContact CD2-CE1 4.12Å; L4-F101 HydrophobicContact CD2-CZ 3.74Å; L7-F101 HydrophobicContact CD2-CE1 4.22Å; L7-F101 HydrophobicContact CD2-CZ 4.19Å; F8-F101 HydrophobicContact CB-CD1 3.89Å; F8-F101 HydrophobicContact CB-CE1 4.05Å; F8-F101 HydrophobicContact CD2-CD1 4.01Å; F8-F101 HydrophobicContact CG-CD1 4.25Å; F81-F101 HydrophobicContact CE1-CB 4.39Å; F81-F101 AromaticContact CE1-CD1 3.69Å; F81-F101 HydrophobicContact CE1-CD1 3.69Å; F81-F101 AromaticContact CE1-CD2 3.88Å; F81-F101 HydrophobicContact CE1-CD2 3.88Å; F81-F101 AromaticContact CE1-CE1 3.77Å; F81-F101 HydrophobicContact CE1-CE1 3.77Å; F81-F101 AromaticContact CE1-CE2 3.95Å; F81-F101 HydrophobicContact CE1-CE2 3.95Å; F81-F101 AromaticContact CE1-CG 3.74Å; F81-F101 HydrophobicContact CE1-CG 3.74Å; F81-F101 AromaticContact CE1-CZ 3.88Å; F81-F101 HydrophobicContact CE1-CZ 3.88Å; F81-F101 HydrophobicContact CZ-CD1 4.14Å; F81-F101 AromaticContact CZ-CE1 3.73Å; F81-F101 HydrophobicContact CZ-CE1 3.73Å; F81-F101 HydrophobicContact CZ-CE2 4.15Å; F81-F101 AromaticContact CZ-CZ 3.72Å; F81-F101 HydrophobicContact CZ-CZ 3.72Å; L82-F101 HydrophobicContact CD2-CB 3.96Å; V85-F101 HydrophobicContact CG1-CD2 4.05Å; V85-F101 HydrophobicContact CG1-CE2 4.25Å; V85-F101 HydrophobicContact CG2-CD2 4.04Å; V85-F101 HydrophobicContact CG2-CE2 3.96Å; F93-F101 HydrophobicContact CB-CE2 4.25Å; F93-F101 AromaticContact CD1-CE2 3.82Å; F93-F101 HydrophobicContact CD1-CE2 3.82Å; F93-F101 AromaticContact CD1-CZ 3.95Å; F93-F101 HydrophobicContact CD1-CZ 3.95Å; F93-F101 HydrophobicContact CD2-CE2 4.14Å; F93-F101 HydrophobicContact CE1-CE2 4.17Å; F93-F101 AromaticContact CE1-CZ 3.92Å; F93-F101 HydrophobicContact CE1-CZ 3.92Å; F93-F101 HydrophobicContact CE2-CE2 4.46Å; F93-F101 AromaticContact CG-CE2 3.81Å; F93-F101 HydrophobicContact CG-CE2 3.81Å; F93-F101 HydrophobicContact CG-CZ 4.39Å; F93-F101 HydrophobicContact CZ-CE2 4.48Å; F93-F101 HydrophobicContact CZ-CZ 4.34Å; G97-F101 WeakPolarHBondContact O-CD2 3.45Å; G97-F101 WeakPolarHBondContact O-CG 3.36Å; G97-F101 PolarHBondContact O-N 3.06Å; G97-F101 VanDerWaalsContact O-N 3.07Å; L98-F101 PolarHBondContact O-N 2.66Å; F101-C103 VanDerWaalsContact C-N 3.33Å; F101-C103 PolarHBondContact O-N 3.35Å; F101-C104 WeakPolarHBondContact O-CB 3.42Å; F101-C104 PolarHBondContact O-N 3.23Å; F101-C104 VanDerWaalsContact O-N 3.09Å
102L91Very high89.5Confident12 Ų1255.1 Ų55.16%0.06328%0.284CS..Hα-helixtrans-64.2-36.3172.7-69.1173.6000112L82 L98 R99 C104 M105 C110 F113 L114 F157L82-L102 HydrophobicContact CD1-CD2 3.95Å; L82-L102 HydrophobicContact CD2-CD2 4.34Å; L98-L102 HydrophobicContact CD2-CD1 3.88Å; L98-L102 HydrophobicContact CG-CD1 4.04Å; L98-L102 HydrophobicContact CG-CG 4.31Å; L98-L102 WeakPolarHBondContact O-CG 3.43Å; L98-L102 PolarHBondContact O-N 3.12Å; R99-L102 PolarHBondContact O-N 2.85Å; L102-C104 PolarHBondContact O-N 3.39Å; L102-M105 PolarHBondContact O-N 3.35Å; L102-C110 HydrophobicContact CD2-CB 4.05Å; L102-C110 PolarHBondContact O-SG 2.96Å; L102-F113 HydrophobicContact CD2-CD1 4.48Å; L102-L114 HydrophobicContact CD1-CD1 4.16Å; L102-F157 HydrophobicContact CD1-CB 4.44Å; L102-F157 HydrophobicContact CD1-CD2 4.44Å; L102-F157 HydrophobicContact CD1-CG 4.27Å
103C89.2Confident89.7Confident102 Ų10250.2 Ų50.269%0.68925%0.253SS*.Hα-helixtrans-67.7-20.1172.3-69.10000113.8R99 H100 F101 M105R99-C103 PolarHBondContact O-N 2.97Å; R99-C103 PolarHBondContact O-SG 3.42Å; H100-C103 PolarHBondContact O-N 3.4Å; F101-C103 VanDerWaalsContact C-N 3.33Å; F101-C103 PolarHBondContact O-N 3.35Å; C103-M105 VanDerWaalsContact C-N 3.27Å
104C89.3Confident89.8Confident48 Ų4848 Ų4832%0.32424%0.244SC..THydrogen-bonded Turntrans-78.8-10.1173.5-63.20000113F8 H100 F101 L102F8-C104 HydrophobicContact CD1-CB 3.54Å; F8-C104 HydrophobicContact CE1-CB 3.56Å; F8-C104 HydrophobicContact CG-CB 4.19Å; F8-C104 HydrophobicContact CZ-CB 4.22Å; H100-C104 PolarHBondContact O-N 2.97Å; H100-C104 PolarHBondContact O-SG 3.06Å; F101-C104 WeakPolarHBondContact O-CB 3.42Å; F101-C104 PolarHBondContact O-N 3.23Å; F101-C104 VanDerWaalsContact O-N 3.09Å; L102-C104 PolarHBondContact O-N 3.39Å
105M89.6Confident89.8Confident20 Ų2051.9 Ų51.910%0.09925%0.252CS..SBendtrans-110.7164177.6-73.5-167.570.400112.2F8 E78 F79 L82 L102 C103 V107 Y109F8-M105 HydrophobicContact CZ-CG 3.91Å; F8-M105 HydrophobicContact CZ-SD 4.46Å; E78-M105 HydrophobicContact CB-CE 3.77Å; E78-M105 HydrophobicContact CB-CG 4.5Å; E78-M105 HydrophobicContact CB-SD 3.73Å; F79-M105 HydrophobicContact CD1-CE 4.21Å; F79-M105 HydrophobicContact CE1-CE 3.79Å; F79-M105 HydrophobicContact CE2-CE 4.45Å; F79-M105 HydrophobicContact CZ-CE 3.93Å; L82-M105 HydrophobicContact CD1-SD 3.39Å; L82-M105 WeakPolarHBondContact CD1-SD 3.28Å; L82-M105 HydrophobicContact CG-SD 3.91Å; L102-M105 PolarHBondContact O-N 3.35Å; C103-M105 VanDerWaalsContact C-N 3.27Å; M105-V107 PolarHBondContact O-N 2.97Å; M105-Y109 HydrophobicContact CE-CD2 4.4Å
106K88.4Confident89.9Confident128 Ų12847.5 Ų47.556%0.55723%0.232SC*.  trans-69.8130.4176.6-62.1-173-178.4-178.60110.2Q108 Y109 C110K106-Q108 PolarHBondContact O-N 3.06Å; K106-Y109 HydrophobicContact CB-CD2 3.87Å; K106-Y109 HydrophobicContact CB-CE2 4.2Å; K106-Y109 HydrophobicContact CB-CG 4.38Å; K106-Y109 HydrophobicContact CD-CD2 4.39Å; K106-Y109 HydrophobicContact CD-CE2 3.87Å; K106-Y109 HydrophobicContact CG-CD2 4.32Å; K106-Y109 HydrophobicContact CG-CE2 4.28Å; K106-Y109 WeakPolarHBondContact O-CA 3.43Å; K106-Y109 WeakPolarHBondContact O-CB 3.22Å; K106-Y109 PolarHBondContact O-N 3.1Å; K106-C110 PolarHBondContact O-N 3.01Å; K106-C110 PolarHBondContact O-SG 3.29Å
107V87.3Confident89.9Confident70 Ų7042.8 Ų42.842%0.42421%0.207SC..Hα-helixtrans-39.8-45.3177.7173.10000113.8M105 Y109 C110 K111 L161M105-V107 PolarHBondContact O-N 2.97Å; V107-Y109 PolarHBondContact O-N 3.26Å; V107-C110 PolarHBondContact O-N 2.93Å; V107-K111 HydrophobicContact CG1-CD 4.15Å; V107-K111 WeakPolarHBondContact O-CG 3.34Å; V107-K111 PolarHBondContact O-N 3.24Å; V107-L161 HydrophobicContact CG1-CD2 4.25Å
108Q87.6Confident89.8Confident99 Ų9944.4 Ų44.446%0.46322%0.217SC..Hα-helixtrans-62-38.4178.7-176.459.725.700113.4K106 E112K106-Q108 PolarHBondContact O-N 3.06Å; Q108-E112 WeakPolarHBondContact O-CG 3.27Å; Q108-E112 PolarHBondContact O-N 3.01Å; Q108-E112 VanDerWaalsContact O-N 3.11Å
109Y89.9Confident89.7Confident29 Ų2945.2 Ų45.211%0.11422%0.223CC..Hα-helixtrans-73.9-33.1178.1-59.8-24.3000111.5T70 L71 F75 F79 M105 K106 V107 E112 F113T70-Y109 WeakPolarHBondContact O-CE1 3.36Å; L71-Y109 HydrophobicContact CD2-CD1 3.55Å; L71-Y109 HydrophobicContact CD2-CE1 4.19Å; L71-Y109 HydrophobicContact CD2-CG 4.24Å; F75-Y109 HydrophobicContact CD1-CE2 4.34Å; F75-Y109 HydrophobicContact CD2-CD2 4.22Å; F75-Y109 AromaticContact CD2-CE2 3.5Å; F75-Y109 HydrophobicContact CD2-CE2 3.5Å; F75-Y109 VanDerWaalsContact CD2-CE2 3.5Å; F75-Y109 HydrophobicContact CE1-CE2 4.31Å; F75-Y109 HydrophobicContact CE2-CD2 4.45Å; F75-Y109 AromaticContact CE2-CE2 3.44Å; F75-Y109 HydrophobicContact CE2-CE2 3.44Å; F75-Y109 VanDerWaalsContact CE2-CE2 3.44Å; F75-Y109 AromaticContact CE2-CZ 3.98Å; F75-Y109 HydrophobicContact CG-CD2 4.28Å; F75-Y109 AromaticContact CG-CE2 3.98Å; F75-Y109 HydrophobicContact CG-CE2 3.98Å; F75-Y109 AromaticContact CZ-CE2 3.89Å; F75-Y109 HydrophobicContact CZ-CE2 3.89Å; F79-Y109 HydrophobicContact CZ-CG 4.37Å; M105-Y109 HydrophobicContact CE-CD2 4.4Å; K106-Y109 HydrophobicContact CB-CD2 3.87Å; K106-Y109 HydrophobicContact CB-CE2 4.2Å; K106-Y109 HydrophobicContact CB-CG 4.38Å; K106-Y109 HydrophobicContact CD-CD2 4.39Å; K106-Y109 HydrophobicContact CD-CE2 3.87Å; K106-Y109 HydrophobicContact CG-CD2 4.32Å; K106-Y109 HydrophobicContact CG-CE2 4.28Å; K106-Y109 WeakPolarHBondContact O-CA 3.43Å; K106-Y109 WeakPolarHBondContact O-CB 3.22Å; K106-Y109 PolarHBondContact O-N 3.1Å; V107-Y109 PolarHBondContact O-N 3.26Å; Y109-E112 PolarHBondContact O-N 3.27Å; Y109-F113 VanDerWaalsContact O-CB 3.3Å; Y109-F113 WeakPolarHBondContact O-CB 3.4Å; Y109-F113 PolarHBondContact O-N 3.38Å
110C90.4Very high89.5Confident2 Ų242.1 Ų42.11%0.01422%0.223CC..Hα-helixtrans-65.6-42.1172.7-54.90000111.3L102 K106 V107 F113 L114 L161L102-C110 HydrophobicContact CD2-CB 4.05Å; L102-C110 PolarHBondContact O-SG 2.96Å; K106-C110 PolarHBondContact O-N 3.01Å; K106-C110 PolarHBondContact O-SG 3.29Å; V107-C110 PolarHBondContact O-N 2.93Å; C110-F113 PolarHBondContact O-N 2.85Å; C110-L114 WeakPolarHBondContact O-CB 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.13Å; C110-L114 PolarHBondContact O-N 3.08Å; C110-L161 HydrophobicContact CB-CD1 3.95Å
111K88.8Confident89.3Confident50 Ų5045.5 Ų45.522%0.21724%0.239CC..Hα-helixtrans-58.7-45.8172.7-73175.3179.6-169.50111.8V107 R115 L161 E164V107-K111 HydrophobicContact CG1-CD 4.15Å; V107-K111 WeakPolarHBondContact O-CG 3.34Å; V107-K111 PolarHBondContact O-N 3.24Å; K111-R115 WeakPolarHBondContact O-CB 3.18Å; K111-R115 PolarHBondContact O-N 2.94Å; K111-L161 VanDerWaalsContact CE-C 3.41Å; K111-L161 WeakPolarHBondContact CE-O 3.39Å; K111-L161 HydrophobicContact CG-CB 3.89Å; K111-L161 PolarHBondContact NZ-O 3.1Å; K111-E164 PolarHBondContact NZ-O 3.2Å
112E89.3Confident89Confident8 Ų845.6 Ų45.64%0.03724%0.24CC..Hα-helixtrans-65.9-44.1177.5-71.8-72.3-167.200113.2C67 T70 L71 Q108 Y109 R115 F116C67-E112 PolarHBondContact SG-OE2 3.15Å; T70-E112 VanDerWaalsContact CB-OE1 3.26Å; T70-E112 WeakPolarHBondContact CB-OE1 3.37Å; T70-E112 WeakPolarHBondContact CG2-OE1 3.46Å; T70-E112 PolarHBondContact OG1-OE1 2.91Å; L71-E112 HydrophobicContact CD2-CB 3.9Å; L71-E112 HydrophobicContact CD2-CG 4.1Å; Q108-E112 WeakPolarHBondContact O-CG 3.27Å; Q108-E112 PolarHBondContact O-N 3.01Å; Q108-E112 VanDerWaalsContact O-N 3.11Å; Y109-E112 PolarHBondContact O-N 3.27Å; E112-R115 VanDerWaalsContact CD-NH2 3.33Å; E112-R115 PolarHBondContact O-N 3.19Å; E112-R115 IonicContact OE1-NH2 3.43Å; E112-R115 PolarHBondContact OE1-NH2 3.11Å; E112-R115 IonicContact OE2-CZ 2.71Å; E112-R115 VanDerWaalsContact OE2-CZ 3.26Å; E112-R115 IonicContact OE2-NE 3.64Å; E112-R115 PolarHBondContact OE2-NE 2.82Å; E112-R115 IonicContact OE2-NH2 2.71Å; E112-R115 PolarHBondContact OE2-NH2 3.08Å; E112-F116 PolarHBondContact O-N 2.85Å
113F92.4Very high88.8Confident0 Ų046.1 Ų46.10%024%0.242CC..Hα-helixtrans-62.2-46178.4178.7-103.5000112.5L63 F79 L82 F83 S86 L102 Y109 C110 F116 L117L63-F113 HydrophobicContact CD2-CD2 4.31Å; F79-F113 HydrophobicContact CD1-CB 4.47Å; F79-F113 AromaticContact CD1-CD2 3.89Å; F79-F113 HydrophobicContact CD1-CD2 3.89Å; F79-F113 HydrophobicContact CD1-CG 4.47Å; F79-F113 HydrophobicContact CE1-CB 4.12Å; F79-F113 HydrophobicContact CE1-CD2 4.37Å; L82-F113 HydrophobicContact CB-CD1 4.42Å; L82-F113 HydrophobicContact CB-CD2 4.42Å; L82-F113 HydrophobicContact CB-CE1 3.83Å; L82-F113 HydrophobicContact CB-CE2 3.83Å; L82-F113 HydrophobicContact CB-CZ 3.51Å; L82-F113 HydrophobicContact CD1-CD1 3.93Å; L82-F113 HydrophobicContact CD1-CD2 4.48Å; L82-F113 HydrophobicContact CD1-CE1 4.11Å; L82-F113 HydrophobicContact CD1-CG 4.13Å; L82-F113 HydrophobicContact CD1-CZ 4.47Å; F83-F113 AromaticContact CD1-CE2 3.7Å; F83-F113 HydrophobicContact CD1-CE2 3.7Å; F83-F113 HydrophobicContact CD1-CZ 4.12Å; F83-F113 HydrophobicContact CD2-CE2 4.03Å; F83-F113 HydrophobicContact CE1-CD2 4.39Å; F83-F113 AromaticContact CE1-CE2 3.63Å; F83-F113 HydrophobicContact CE1-CE2 3.63Å; F83-F113 HydrophobicContact CE1-CZ 4.32Å; F83-F113 HydrophobicContact CE2-CD2 4.44Å; F83-F113 AromaticContact CE2-CE2 3.97Å; F83-F113 HydrophobicContact CE2-CE2 3.97Å; F83-F113 AromaticContact CG-CE2 3.88Å; F83-F113 HydrophobicContact CG-CE2 3.88Å; F83-F113 HydrophobicContact CG-CZ 4.43Å; F83-F113 HydrophobicContact CZ-CD2 4.18Å; F83-F113 AromaticContact CZ-CE2 3.76Å; F83-F113 HydrophobicContact CZ-CE2 3.76Å; S86-F113 WeakPolarHBondContact OG-CE1 3.26Å; L102-F113 HydrophobicContact CD2-CD1 4.48Å; Y109-F113 VanDerWaalsContact O-CB 3.3Å; Y109-F113 WeakPolarHBondContact O-CB 3.4Å; Y109-F113 PolarHBondContact O-N 3.38Å; C110-F113 PolarHBondContact O-N 2.85Å; F113-F116 WeakPolarHBondContact O-CB 3.32Å; F113-F116 PolarHBondContact O-N 3.12Å; F113-L117 HydrophobicContact CD1-CD1 4.05Å; F113-L117 HydrophobicContact CE1-CD1 3.37Å; F113-L117 HydrophobicContact CE1-CG 4.15Å; F113-L117 HydrophobicContact CE2-CD1 4.46Å; F113-L117 HydrophobicContact CZ-CD1 3.6Å; F113-L117 HydrophobicContact CZ-CD2 4.48Å; F113-L117 HydrophobicContact CZ-CG 4.1Å; F113-L117 PolarHBondContact O-N 3.33Å
114L91.7Very high88.7Confident1 Ų147.1 Ų47.11%0.00524%0.237CC..Hα-helixtrans-71.7-30.7177.2-67.6165.6000112.2L102 C110 F116 C118 F154 F157 R158 L161L102-L114 HydrophobicContact CD1-CD1 4.16Å; C110-L114 WeakPolarHBondContact O-CB 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.13Å; C110-L114 PolarHBondContact O-N 3.08Å; L114-F116 VanDerWaalsContact C-N 3.29Å; L114-F116 PolarHBondContact O-N 3.03Å; L114-C118 WeakPolarHBondContact O-CB 3.48Å; L114-C118 PolarHBondContact O-N 3.3Å; L114-C118 PolarHBondContact O-SG 2.69Å; L114-C118 VanDerWaalsContact O-SG 3.34Å; L114-F154 HydrophobicContact CD2-CB 4.05Å; L114-F154 HydrophobicContact CD2-CD1 4.21Å; L114-F154 HydrophobicContact CD2-CG 4.49Å; L114-F157 HydrophobicContact CD1-CB 3.78Å; L114-R158 HydrophobicContact CB-CB 4.09Å; L114-R158 HydrophobicContact CB-CG 4.43Å; L114-L161 HydrophobicContact CD1-CD1 3.62Å
115R90Very high88.7Confident103 Ų10349.1 Ų49.139%0.38924%0.241SC..Hα-helixtrans-62.3-37.4169.9-179.2169.376140.4-3.2111.9K111 E112K111-R115 WeakPolarHBondContact O-CB 3.18Å; K111-R115 PolarHBondContact O-N 2.94Å; E112-R115 VanDerWaalsContact CD-NH2 3.33Å; E112-R115 PolarHBondContact O-N 3.19Å; E112-R115 IonicContact OE1-NH2 3.43Å; E112-R115 PolarHBondContact OE1-NH2 3.11Å; E112-R115 IonicContact OE2-CZ 2.71Å; E112-R115 VanDerWaalsContact OE2-CZ 3.26Å; E112-R115 IonicContact OE2-NE 3.64Å; E112-R115 PolarHBondContact OE2-NE 2.82Å; E112-R115 IonicContact OE2-NH2 2.71Å; E112-R115 PolarHBondContact OE2-NH2 3.08Å
116F91.3Very high88.7Confident0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-71.8-48.6176.2-180-91.5000112.3K62 L63 F66 F83 E112 F113 L114 C118 S119 V122 L126K62-F116 HydrophobicContact CB-CE2 4.3Å; K62-F116 HydrophobicContact CB-CZ 3.93Å; K62-F116 HydrophobicContact CG-CE2 3.99Å; K62-F116 HydrophobicContact CG-CZ 3.9Å; L63-F116 VanDerWaalsContact CA-CE2 3.43Å; L63-F116 HydrophobicContact CB-CD1 4.48Å; L63-F116 HydrophobicContact CB-CD2 4.31Å; L63-F116 HydrophobicContact CB-CE1 4.3Å; L63-F116 HydrophobicContact CB-CE2 4.12Å; L63-F116 HydrophobicContact CB-CG 4.47Å; L63-F116 HydrophobicContact CB-CZ 4.11Å; L63-F116 HydrophobicContact CD1-CB 3.54Å; L63-F116 HydrophobicContact CD1-CD1 3.97Å; L63-F116 HydrophobicContact CD1-CD2 3.76Å; L63-F116 HydrophobicContact CD1-CE2 4.43Å; L63-F116 HydrophobicContact CD1-CG 3.49Å; L63-F116 VanDerWaalsContact CD1-CG 3.49Å; F66-F116 HydrophobicContact CB-CD2 3.85Å; F66-F116 HydrophobicContact CB-CE2 4Å; F66-F116 AromaticContact CD1-CD2 3.9Å; F66-F116 HydrophobicContact CD1-CD2 3.9Å; F66-F116 AromaticContact CG-CD2 3.95Å; F66-F116 HydrophobicContact CG-CD2 3.95Å; F66-F116 HydrophobicContact CG-CE2 4.43Å; F83-F116 AromaticContact CE1-CD1 3.87Å; F83-F116 HydrophobicContact CE1-CD1 3.87Å; F83-F116 AromaticContact CE1-CE1 3.68Å; F83-F116 HydrophobicContact CE1-CE1 3.68Å; F83-F116 AromaticContact CZ-CD1 3.67Å; F83-F116 HydrophobicContact CZ-CD1 3.67Å; F83-F116 AromaticContact CZ-CE1 3.45Å; F83-F116 HydrophobicContact CZ-CE1 3.45Å; F83-F116 VanDerWaalsContact CZ-CE1 3.45Å; F83-F116 HydrophobicContact CZ-CZ 4.41Å; E112-F116 PolarHBondContact O-N 2.85Å; F113-F116 WeakPolarHBondContact O-CB 3.32Å; F113-F116 PolarHBondContact O-N 3.12Å; L114-F116 VanDerWaalsContact C-N 3.29Å; L114-F116 PolarHBondContact O-N 3.03Å; F116-C118 VanDerWaalsContact C-N 3.33Å; F116-C118 PolarHBondContact O-N 3.02Å; F116-S119 WeakPolarHBondContact O-CB 3.48Å; F116-S119 PolarHBondContact O-N 3.06Å; F116-V122 HydrophobicContact CD1-CG1 4.07Å; F116-V122 HydrophobicContact CD2-CG1 3.82Å; F116-V122 HydrophobicContact CD2-CG2 4.22Å; F116-V122 HydrophobicContact CE1-CG1 3.62Å; F116-V122 HydrophobicContact CE2-CB 4.4Å; F116-V122 HydrophobicContact CE2-CG1 3.34Å; F116-V122 HydrophobicContact CE2-CG2 4.14Å; F116-V122 HydrophobicContact CG-CG1 4.17Å; F116-V122 HydrophobicContact CZ-CG1 3.24Å; F116-L126 HydrophobicContact CE1-CD1 4.04Å; F116-L126 HydrophobicContact CZ-CD1 4.25Å
117L88.7Confident88.8Confident6 Ų644.5 Ų44.53%0.03122%0.221CC..Hα-helixtrans-61-38.2177.9-74.8-178.3000113.2F83 F113 S119 L147 F154F83-L117 HydrophobicContact CD1-CD2 4.14Å; F83-L117 HydrophobicContact CE1-CD2 3.84Å; F113-L117 HydrophobicContact CD1-CD1 4.05Å; F113-L117 HydrophobicContact CE1-CD1 3.37Å; F113-L117 HydrophobicContact CE1-CG 4.15Å; F113-L117 HydrophobicContact CE2-CD1 4.46Å; F113-L117 HydrophobicContact CZ-CD1 3.6Å; F113-L117 HydrophobicContact CZ-CD2 4.48Å; F113-L117 HydrophobicContact CZ-CG 4.1Å; F113-L117 PolarHBondContact O-N 3.33Å; L117-S119 PolarHBondContact O-N 3Å; L117-L147 HydrophobicContact CD2-CD1 4.34Å; L117-F154 HydrophobicContact CD1-CD1 4.42Å; L117-F154 HydrophobicContact CD1-CG 4.44Å
118C87.8Confident88.9Confident36 Ų3645.3 Ų45.324%0.24323%0.229CC..THydrogen-bonded Turntrans-83.115.7179.5-61.60000113.8L114 F116 I155L114-C118 WeakPolarHBondContact O-CB 3.48Å; L114-C118 PolarHBondContact O-N 3.3Å; L114-C118 PolarHBondContact O-SG 2.69Å; L114-C118 VanDerWaalsContact O-SG 3.34Å; F116-C118 VanDerWaalsContact C-N 3.33Å; F116-C118 PolarHBondContact O-N 3.02Å; C118-I155 HydrophobicContact CB-CG1 4.48Å
119S89.4Confident89Confident18 Ų1845.6 Ų45.613%0.12623%0.23CC..  trans-101113176.8-177.60000111.5F116 L117 E121 V122 M123F116-S119 WeakPolarHBondContact O-CB 3.48Å; F116-S119 PolarHBondContact O-N 3.06Å; L117-S119 PolarHBondContact O-N 3Å; S119-E121 VanDerWaalsContact C-N 3.3Å; S119-E121 PolarHBondContact O-N 2.92Å; S119-V122 PolarHBondContact O-N 2.82Å; S119-M123 PolarHBondContact O-N 2.87Å; S119-M123 VanDerWaalsContact O-N 3.08Å
120S85.7Confident89.1Confident79 Ų7944.3 Ų44.355%0.55223%0.225SC*.Hα-helixtrans-61.4-39.1-179.3-156.40000112.2V122 M123 H124S120-V122 PolarHBondContact O-N 3Å; S120-M123 PolarHBondContact O-N 2.74Å; S120-M123 VanDerWaalsContact O-N 3.16Å; S120-H124 PolarHBondContact O-CD2 3.47Å; S120-H124 PolarHBondContact O-N 3.46Å; S120-H124 PolarHBondContact OG-NE2 3.25Å
121E86.1Confident89.2Confident144 Ų14447.1 Ų47.167%0.67324%0.24SC*.Hα-helixtrans-54.1-51.6176.6-62.7164.2-172.800111.1S119 M123 H124 E125S119-E121 VanDerWaalsContact C-N 3.3Å; S119-E121 PolarHBondContact O-N 2.92Å; E121-M123 VanDerWaalsContact C-N 3.33Å; E121-M123 PolarHBondContact O-N 2.84Å; E121-H124 PolarHBondContact O-N 2.94Å; E121-E125 PolarHBondContact O-N 3.15Å
122V86.1Confident89.2Confident2 Ų253 Ų531%0.01227%0.268CS..Hα-helixtrans-62.7-39.6178.4170.20000111.3F66 F116 S119 S120 E125 L126F66-V122 HydrophobicContact CD2-CG2 3.98Å; F66-V122 HydrophobicContact CE2-CG2 3.97Å; F116-V122 HydrophobicContact CD1-CG1 4.07Å; F116-V122 HydrophobicContact CD2-CG1 3.82Å; F116-V122 HydrophobicContact CD2-CG2 4.22Å; F116-V122 HydrophobicContact CE1-CG1 3.62Å; F116-V122 HydrophobicContact CE2-CB 4.4Å; F116-V122 HydrophobicContact CE2-CG1 3.34Å; F116-V122 HydrophobicContact CE2-CG2 4.14Å; F116-V122 HydrophobicContact CG-CG1 4.17Å; F116-V122 HydrophobicContact CZ-CG1 3.24Å; S119-V122 PolarHBondContact O-N 2.82Å; S120-V122 PolarHBondContact O-N 3Å; V122-E125 PolarHBondContact O-N 3.19Å; V122-L126 HydrophobicContact CG1-CD1 4.05Å; V122-L126 HydrophobicContact CG1-CG 4.42Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 3.12Å
123M85Confident89.1Confident24 Ų2456.2 Ų56.212%0.11829%0.288CS..Hα-helixtrans-66.1-36.8179.5-74.8-55.4-45.600112.9S119 S120 E121 L126 K127 W130 L147S119-M123 PolarHBondContact O-N 2.87Å; S119-M123 VanDerWaalsContact O-N 3.08Å; S120-M123 PolarHBondContact O-N 2.74Å; S120-M123 VanDerWaalsContact O-N 3.16Å; E121-M123 VanDerWaalsContact C-N 3.33Å; E121-M123 PolarHBondContact O-N 2.84Å; M123-L126 PolarHBondContact O-N 3.25Å; M123-L126 HydrophobicContact SD-CD1 4.36Å; M123-K127 PolarHBondContact O-N 3Å; M123-W130 HydrophobicContact CE-CH2 3.98Å; M123-W130 HydrophobicContact CE-CZ3 4.11Å; M123-L147 HydrophobicContact CE-CD1 3.87Å; M123-L147 HydrophobicContact CE-CD2 3.77Å; M123-L147 HydrophobicContact CE-CG 4.39Å; M123-L147 HydrophobicContact CG-CD2 4.4Å; M123-L147 HydrophobicContact SD-CD1 3.93Å; M123-L147 HydrophobicContact SD-CD2 3.9Å
124H87.5Confident89Confident123 Ų12359 Ų5957%0.56930%0.299SS*.Hα-helixtrans-66.2-41.9173.2-64.9-60.5000111.8S120 E121 L126 K127 S128S120-H124 PolarHBondContact O-CD2 3.47Å; S120-H124 PolarHBondContact O-N 3.46Å; S120-H124 PolarHBondContact OG-NE2 3.25Å; E121-H124 PolarHBondContact O-N 2.94Å; H124-L126 VanDerWaalsContact C-N 3.31Å; H124-L126 PolarHBondContact O-N 3.14Å; H124-K127 PolarHBondContact O-N 3.33Å; H124-S128 PolarHBondContact O-N 3.48Å; H124-S128 VanDerWaalsContact O-N 3.13Å; H124-S128 PolarHBondContact O-OG 2.7Å
125E89.3Confident89Confident90 Ų9064 Ų6442%0.42133%0.325SS..Hα-helixtrans-64-35.7175.8-64.8-175.710500112.5K62 E121 V122 S128 E129K62-E125 WeakPolarHBondContact CE-OE2 3.3Å; K62-E125 IonicContact NZ-OE1 2.78Å; K62-E125 PolarHBondContact NZ-OE1 2.79Å; K62-E125 IonicContact NZ-OE2 3.85Å; K62-E125 PolarHBondContact NZ-OE2 3.3Å; E121-E125 PolarHBondContact O-N 3.15Å; V122-E125 PolarHBondContact O-N 3.19Å; E125-S128 PolarHBondContact O-N 3.48Å; E125-E129 WeakPolarHBondContact O-CG 3.49Å; E125-E129 PolarHBondContact O-N 2.89Å; E125-E129 VanDerWaalsContact O-N 3.16Å
126L89.8Confident89Confident4 Ų464 Ų642%0.02133%0.329CS..Hα-helixtrans-70.6-37.9173.7-69.9175.5000112.5K62 F116 V122 M123 H124 S128 E129 W130K62-L126 HydrophobicContact CB-CD2 4.32Å; F116-L126 HydrophobicContact CE1-CD1 4.04Å; F116-L126 HydrophobicContact CZ-CD1 4.25Å; V122-L126 HydrophobicContact CG1-CD1 4.05Å; V122-L126 HydrophobicContact CG1-CG 4.42Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 3.12Å; M123-L126 PolarHBondContact O-N 3.25Å; M123-L126 HydrophobicContact SD-CD1 4.36Å; H124-L126 VanDerWaalsContact C-N 3.31Å; H124-L126 PolarHBondContact O-N 3.14Å; L126-S128 VanDerWaalsContact C-N 3.28Å; L126-S128 PolarHBondContact O-N 2.79Å; L126-E129 PolarHBondContact O-N 2.93Å; L126-W130 HydrophobicContact CB-CD2 4.4Å; L126-W130 HydrophobicContact CB-CH2 4.02Å; L126-W130 HydrophobicContact CB-CZ2 3.85Å; L126-W130 HydrophobicContact CB-CZ3 4.36Å; L126-W130 HydrophobicContact CD1-CH2 4.48Å; L126-W130 HydrophobicContact CD1-CZ2 4.2Å; L126-W130 HydrophobicContact CG-CZ2 4.44Å; L126-W130 VanDerWaalsContact O-CD2 3.23Å; L126-W130 PolarHBondContact O-N 3.4Å
127K90.3Very high89Confident47 Ų4768.2 Ų68.220%0.20436%0.359CS..Hα-helixtrans-53.9-47.6170.6178.5173.5177.5167.20110.3M123 H124 W130 I131 E136 V139 D140 I144M123-K127 PolarHBondContact O-N 3Å; H124-K127 PolarHBondContact O-N 3.33Å; K127-W130 PolarHBondContact O-N 3.3Å; K127-I131 HydrophobicContact CD-CD1 4.23Å; K127-I131 HydrophobicContact CG-CD1 3.76Å; K127-I131 HydrophobicContact CG-CG1 4.38Å; K127-I131 WeakPolarHBondContact O-CG1 3.22Å; K127-I131 PolarHBondContact O-N 3.45Å; K127-E136 WeakPolarHBondContact CE-OE1 3.48Å; K127-E136 IonicContact NZ-OE1 2.94Å; K127-E136 PolarHBondContact NZ-OE1 3.18Å; K127-V139 HydrophobicContact CG-CG1 4.26Å; K127-D140 WeakPolarHBondContact CE-OD1 3.22Å; K127-D140 IonicContact NZ-OD1 3.86Å; K127-D140 PolarHBondContact NZ-OD1 3.32Å; K127-D140 IonicContact NZ-OD2 2.62Å; K127-D140 PolarHBondContact NZ-OD2 2.91Å; K127-I144 HydrophobicContact CB-CD1 3.81Å; K127-I144 HydrophobicContact CD-CD1 3.56Å; K127-I144 HydrophobicContact CG-CD1 3.69Å
128S89.8Confident89.1Confident86 Ų8670.6 Ų70.660%0.60137%0.37SS*.Hα-helixtrans-62.4-42.3179.1-58.80000113.5H124 E125 L126H124-S128 PolarHBondContact O-N 3.48Å; H124-S128 VanDerWaalsContact O-N 3.13Å; H124-S128 PolarHBondContact O-OG 2.7Å; E125-S128 PolarHBondContact O-N 3.48Å; L126-S128 VanDerWaalsContact C-N 3.28Å; L126-S128 PolarHBondContact O-N 2.79Å
129E89.2Confident89.3Confident105 Ų10568.9 Ų68.949%0.49136%0.358SS..Hα-helixtrans-66.3-36.1176-70.7-98.8-173.500112.1P58 E125 L126P58-E129 HydrophobicContact CB-CB 4.29Å; E125-E129 WeakPolarHBondContact O-CG 3.49Å; E125-E129 PolarHBondContact O-N 2.89Å; E125-E129 VanDerWaalsContact O-N 3.16Å; L126-E129 PolarHBondContact O-N 2.93Å
130W92.9Very high89.3Confident2 Ų270.9 Ų70.91%0.00837%0.367CS..Hα-helixtrans-75.6-36180-60.3-26.4000113.6I55 L87 M123 L126 K127 H132 V133 Y134 V139 L143 I144I55-W130 HydrophobicContact CG2-CD2 4.18Å; I55-W130 HydrophobicContact CG2-CG 4.21Å; I55-W130 HydrophobicContact CG2-CZ2 4.15Å; I55-W130 VanDerWaalsContact CG2-NE1 3.3Å; I55-W130 PolarHBondContact O-NE1 3.15Å; L87-W130 HydrophobicContact CD1-CH2 4.47Å; L87-W130 HydrophobicContact CD1-CZ2 4.08Å; L87-W130 HydrophobicContact CD2-CH2 3.54Å; L87-W130 HydrophobicContact CD2-CZ2 4Å; L87-W130 HydrophobicContact CD2-CZ3 4.46Å; M123-W130 HydrophobicContact CE-CH2 3.98Å; M123-W130 HydrophobicContact CE-CZ3 4.11Å; L126-W130 HydrophobicContact CB-CD2 4.4Å; L126-W130 HydrophobicContact CB-CH2 4.02Å; L126-W130 HydrophobicContact CB-CZ2 3.85Å; L126-W130 HydrophobicContact CB-CZ3 4.36Å; L126-W130 HydrophobicContact CD1-CH2 4.48Å; L126-W130 HydrophobicContact CD1-CZ2 4.2Å; L126-W130 HydrophobicContact CG-CZ2 4.44Å; L126-W130 VanDerWaalsContact O-CD2 3.23Å; L126-W130 PolarHBondContact O-N 3.4Å; K127-W130 PolarHBondContact O-N 3.3Å; W130-H132 PolarHBondContact O-N 3.12Å; W130-V133 PolarHBondContact O-N 3.25Å; W130-Y134 PolarHBondContact O-N 3.07Å; W130-V139 HydrophobicContact CB-CG1 4.1Å; W130-V139 HydrophobicContact CB-CG2 3.95Å; W130-V139 HydrophobicContact CE3-CG1 4.08Å; W130-L143 HydrophobicContact CB-CD1 4.23Å; W130-L143 HydrophobicContact CD2-CD1 3.84Å; W130-L143 HydrophobicContact CE3-CB 4.05Å; W130-L143 HydrophobicContact CE3-CD1 3.71Å; W130-L143 HydrophobicContact CG-CD1 4.1Å; W130-L143 HydrophobicContact CZ3-CB 3.9Å; W130-L143 HydrophobicContact CZ3-CD1 4.33Å; W130-I144 HydrophobicContact CZ3-CG1 4.41Å
131I91.6Very high89.6Confident62 Ų6273.3 Ų73.332%0.31837%0.368SS..Hα-helixtrans-61.8-26.3174.8-74173.9000112.1K127 V133 Y134 E136 V139K127-I131 HydrophobicContact CD-CD1 4.23Å; K127-I131 HydrophobicContact CG-CD1 3.76Å; K127-I131 HydrophobicContact CG-CG1 4.38Å; K127-I131 WeakPolarHBondContact O-CG1 3.22Å; K127-I131 PolarHBondContact O-N 3.45Å; I131-V133 PolarHBondContact O-N 3.3Å; I131-Y134 WeakPolarHBondContact CA-O 3.25Å; I131-E136 HydrophobicContact CD1-CB 4.14Å; I131-E136 HydrophobicContact CD1-CG 3.79Å; I131-E136 HydrophobicContact CG1-CB 4.2Å; I131-E136 HydrophobicContact CG1-CG 4.31Å; I131-V139 HydrophobicContact CG1-CB 4.31Å; I131-V139 HydrophobicContact CG1-CG1 4.31Å; I131-V139 HydrophobicContact CG1-CG2 4.13Å
132H89.1Confident89.7Confident173 Ų17371.5 Ų71.580%0.80136%0.358SS*.THydrogen-bonded Turntrans-69.3-12174.1-165.962.9000113.5W130W130-H132 PolarHBondContact O-N 3.12Å
133V86.7Confident89.8Confident75 Ų7571.4 Ų71.446%0.45536%0.357SS..THydrogen-bonded Turntrans-119.3-35.6-175.6-174.60000112.7W130 I131W130-V133 PolarHBondContact O-N 3.25Å; I131-V133 PolarHBondContact O-N 3.3Å
134Y90.7Very high90.1Very high59 Ų5972 Ų7223%0.23136%0.361CS..SBendtrans-126.9150.3-177.7-65.9-94.1000111S54 I55 W130 I131 E136 F138S54-Y134 WeakPolarHBondContact OG-CE2 3.2Å; S54-Y134 PolarHBondContact OG-OH 3.37Å; S54-Y134 VanDerWaalsContact OG-OH 3.11Å; I55-Y134 HydrophobicContact CD1-CD2 4.22Å; I55-Y134 HydrophobicContact CD1-CE2 3.69Å; I55-Y134 HydrophobicContact CG1-CD2 4.04Å; I55-Y134 HydrophobicContact CG1-CE2 3.37Å; W130-Y134 PolarHBondContact O-N 3.07Å; I131-Y134 WeakPolarHBondContact CA-O 3.25Å; Y134-E136 PolarHBondContact O-N 2.92Å; Y134-F138 AromaticContact CD1-CD1 3.7Å; Y134-F138 HydrophobicContact CD1-CD1 3.7Å; Y134-F138 AromaticContact CD1-CE1 3.65Å; Y134-F138 HydrophobicContact CD1-CE1 3.65Å; Y134-F138 HydrophobicContact CD1-CG 4.48Å; Y134-F138 HydrophobicContact CD1-CZ 4.4Å; Y134-F138 HydrophobicContact CE1-CE1 4.11Å; Y134-F138 AromaticContact CG-CD1 3.87Å; Y134-F138 HydrophobicContact CG-CD1 3.87Å; Y134-F138 HydrophobicContact CG-CE1 4.02Å
135D91.5Very high90.1Very high105 Ų10570.8 Ų70.856%0.56136%0.355SS*.  trans-54.9138.4175.4-66.1-46.3000110.9S137 F138 V139D135-S137 VanDerWaalsContact C-N 3.26Å; D135-S137 PolarHBondContact O-N 3.2Å; D135-F138 WeakPolarHBondContact O-CA 3.3Å; D135-F138 VanDerWaalsContact O-CB 3.32Å; D135-F138 WeakPolarHBondContact O-CB 3.26Å; D135-F138 PolarHBondContact O-N 3.46Å; D135-V139 PolarHBondContact O-N 2.58Å; D135-V139 VanDerWaalsContact O-N 3.1Å
136E91.3Very high90.1Very high103 Ų10367.4 Ų67.448%0.48134%0.341SS..Hα-helixtrans-56.4-38.1-174.4178166.8-149.400113.1K127 I131 Y134 F138 V139 D140K127-E136 WeakPolarHBondContact CE-OE1 3.48Å; K127-E136 IonicContact NZ-OE1 2.94Å; K127-E136 PolarHBondContact NZ-OE1 3.18Å; I131-E136 HydrophobicContact CD1-CB 4.14Å; I131-E136 HydrophobicContact CD1-CG 3.79Å; I131-E136 HydrophobicContact CG1-CB 4.2Å; I131-E136 HydrophobicContact CG1-CG 4.31Å; Y134-E136 PolarHBondContact O-N 2.92Å; E136-F138 PolarHBondContact O-N 2.73Å; E136-V139 PolarHBondContact O-N 2.87Å; E136-V139 VanDerWaalsContact O-N 3.16Å; E136-D140 PolarHBondContact O-N 3.24Å
137S91.6Very high90Very high89 Ų8967.5 Ų67.562%0.62234%0.341SS*.Hα-helixtrans-65.5-22.217554.50000114.2D135 K141D135-S137 VanDerWaalsContact C-N 3.26Å; D135-S137 PolarHBondContact O-N 3.2Å; S137-K141 VanDerWaalsContact O-CB 3.29Å; S137-K141 WeakPolarHBondContact O-CB 3.38Å
138F90.9Very high90Very high57 Ų5769.5 Ų69.525%0.2536%0.358CS..Hα-helixtrans-79.7-45.4169.6175.6-88.8000110.7Y134 D135 E136 D140 K141 F142Y134-F138 AromaticContact CD1-CD1 3.7Å; Y134-F138 HydrophobicContact CD1-CD1 3.7Å; Y134-F138 AromaticContact CD1-CE1 3.65Å; Y134-F138 HydrophobicContact CD1-CE1 3.65Å; Y134-F138 HydrophobicContact CD1-CG 4.48Å; Y134-F138 HydrophobicContact CD1-CZ 4.4Å; Y134-F138 HydrophobicContact CE1-CE1 4.11Å; Y134-F138 AromaticContact CG-CD1 3.87Å; Y134-F138 HydrophobicContact CG-CD1 3.87Å; Y134-F138 HydrophobicContact CG-CE1 4.02Å; D135-F138 WeakPolarHBondContact O-CA 3.3Å; D135-F138 VanDerWaalsContact O-CB 3.32Å; D135-F138 WeakPolarHBondContact O-CB 3.26Å; D135-F138 PolarHBondContact O-N 3.46Å; E136-F138 PolarHBondContact O-N 2.73Å; F138-D140 PolarHBondContact O-N 2.84Å; F138-K141 PolarHBondContact O-N 2.91Å; F138-F142 HydrophobicContact CD2-CB 4.29Å; F138-F142 AromaticContact CD2-CD2 3.39Å; F138-F142 HydrophobicContact CD2-CD2 3.39Å; F138-F142 AromaticContact CD2-CE2 3.91Å; F138-F142 HydrophobicContact CD2-CE2 3.91Å; F138-F142 HydrophobicContact CD2-CG 4.03Å; F138-F142 HydrophobicContact CE1-CB 4.4Å; F138-F142 HydrophobicContact CE2-CB 3.99Å; F138-F142 AromaticContact CE2-CD2 3.66Å; F138-F142 HydrophobicContact CE2-CD2 3.66Å; F138-F142 HydrophobicContact CE2-CE2 4.25Å; F138-F142 AromaticContact CE2-CG 3.84Å; F138-F142 HydrophobicContact CE2-CG 3.84Å; F138-F142 HydrophobicContact CG-CD2 4.07Å; F138-F142 HydrophobicContact CZ-CB 4.05Å; F138-F142 HydrophobicContact CZ-CG 4.39Å; F138-F142 WeakPolarHBondContact O-CB 3.44Å; F138-F142 PolarHBondContact O-N 3.44Å
139V91.2Very high90Very high0 Ų072 Ų720%035%0.354CS..Hα-helixtrans-57.2-50.8178.6173.60000111K127 W130 I131 D135 E136 L143 I144K127-V139 HydrophobicContact CG-CG1 4.26Å; W130-V139 HydrophobicContact CB-CG1 4.1Å; W130-V139 HydrophobicContact CB-CG2 3.95Å; W130-V139 HydrophobicContact CE3-CG1 4.08Å; I131-V139 HydrophobicContact CG1-CB 4.31Å; I131-V139 HydrophobicContact CG1-CG1 4.31Å; I131-V139 HydrophobicContact CG1-CG2 4.13Å; D135-V139 PolarHBondContact O-N 2.58Å; D135-V139 VanDerWaalsContact O-N 3.1Å; E136-V139 PolarHBondContact O-N 2.87Å; E136-V139 VanDerWaalsContact O-N 3.16Å; V139-L143 HydrophobicContact CB-CD1 4.49Å; V139-L143 HydrophobicContact CG1-CD1 4.31Å; V139-L143 HydrophobicContact CG2-CD1 4.35Å; V139-L143 WeakPolarHBondContact O-CA 3.41Å; V139-L143 VanDerWaalsContact O-CB 3.32Å; V139-L143 WeakPolarHBondContact O-CB 3.48Å; V139-L143 PolarHBondContact O-N 3.34Å; V139-I144 HydrophobicContact CG1-CD1 4.13Å; V139-I144 HydrophobicContact CG1-CG1 4.32Å; V139-I144 PolarHBondContact O-N 2.89Å; V139-I144 VanDerWaalsContact O-N 3.09Å
140D90.2Very high90.2Very high60 Ų6069.7 Ų69.732%0.32134%0.341SS..Iπ-helixtrans-66.6-42.4-176.7-76.3-0.6000111.9K127 E136 F138 I144 E145K127-D140 WeakPolarHBondContact CE-OD1 3.22Å; K127-D140 IonicContact NZ-OD1 3.86Å; K127-D140 PolarHBondContact NZ-OD1 3.32Å; K127-D140 IonicContact NZ-OD2 2.62Å; K127-D140 PolarHBondContact NZ-OD2 2.91Å; E136-D140 PolarHBondContact O-N 3.24Å; F138-D140 PolarHBondContact O-N 2.84Å; D140-I144 WeakPolarHBondContact OD1-CD1 3.19Å; D140-E145 PolarHBondContact O-N 2.98Å
141K90.2Very high90Very high129 Ų12971.5 Ų71.556%0.56135%0.352SS*.Iπ-helixtrans-78.5-37-176.7-172172.4-178.7175.90114.6S137 F138S137-K141 VanDerWaalsContact O-CB 3.29Å; S137-K141 WeakPolarHBondContact O-CB 3.38Å; F138-K141 PolarHBondContact O-N 2.91Å
142F88.9Confident90Very high107 Ų10772.6 Ų72.647%0.46936%0.363SS..Iπ-helixtrans-107.5-13.3-171.9-68.4-84.2000114.7F138F138-F142 HydrophobicContact CD2-CB 4.29Å; F138-F142 AromaticContact CD2-CD2 3.39Å; F138-F142 HydrophobicContact CD2-CD2 3.39Å; F138-F142 AromaticContact CD2-CE2 3.91Å; F138-F142 HydrophobicContact CD2-CE2 3.91Å; F138-F142 HydrophobicContact CD2-CG 4.03Å; F138-F142 HydrophobicContact CE1-CB 4.4Å; F138-F142 HydrophobicContact CE2-CB 3.99Å; F138-F142 AromaticContact CE2-CD2 3.66Å; F138-F142 HydrophobicContact CE2-CD2 3.66Å; F138-F142 HydrophobicContact CE2-CE2 4.25Å; F138-F142 AromaticContact CE2-CG 3.84Å; F138-F142 HydrophobicContact CE2-CG 3.84Å; F138-F142 HydrophobicContact CG-CD2 4.07Å; F138-F142 HydrophobicContact CZ-CB 4.05Å; F138-F142 HydrophobicContact CZ-CG 4.39Å; F138-F142 WeakPolarHBondContact O-CB 3.44Å; F138-F142 PolarHBondContact O-N 3.44Å
143L89Confident90.1Very high0 Ų065.4 Ų65.40%033%0.331CS..Iπ-helixtrans-117.3-43.3177.8-51.9174.1000112I55 L88 W130 V139 L147I55-L143 HydrophobicContact CD1-CD1 3.96Å; I55-L143 HydrophobicContact CD1-CD2 3.9Å; I55-L143 HydrophobicContact CG2-CD1 4.14Å; I55-L143 HydrophobicContact CG2-CD2 4.39Å; L88-L143 HydrophobicContact CD2-CD2 3.97Å; W130-L143 HydrophobicContact CB-CD1 4.23Å; W130-L143 HydrophobicContact CD2-CD1 3.84Å; W130-L143 HydrophobicContact CE3-CB 4.05Å; W130-L143 HydrophobicContact CE3-CD1 3.71Å; W130-L143 HydrophobicContact CG-CD1 4.1Å; W130-L143 HydrophobicContact CZ3-CB 3.9Å; W130-L143 HydrophobicContact CZ3-CD1 4.33Å; V139-L143 HydrophobicContact CB-CD1 4.49Å; V139-L143 HydrophobicContact CG1-CD1 4.31Å; V139-L143 HydrophobicContact CG2-CD1 4.35Å; V139-L143 WeakPolarHBondContact O-CA 3.41Å; V139-L143 VanDerWaalsContact O-CB 3.32Å; V139-L143 WeakPolarHBondContact O-CB 3.48Å; V139-L143 PolarHBondContact O-N 3.34Å; L143-L147 VanDerWaalsContact O-CB 3.27Å; L143-L147 WeakPolarHBondContact O-CB 3.17Å; L143-L147 PolarHBondContact O-N 3.38Å
144I90Very high90.4Very high37 Ų3761.9 Ų61.919%0.1931%0.31CS..Iπ-helixtrans-86.8-50.1-174.4-56.1-171.9000111.9K127 W130 V139 D140 L147 V148K127-I144 HydrophobicContact CB-CD1 3.81Å; K127-I144 HydrophobicContact CD-CD1 3.56Å; K127-I144 HydrophobicContact CG-CD1 3.69Å; W130-I144 HydrophobicContact CZ3-CG1 4.41Å; V139-I144 HydrophobicContact CG1-CD1 4.13Å; V139-I144 HydrophobicContact CG1-CG1 4.32Å; V139-I144 PolarHBondContact O-N 2.89Å; V139-I144 VanDerWaalsContact O-N 3.09Å; D140-I144 WeakPolarHBondContact OD1-CD1 3.19Å; I144-L147 PolarHBondContact O-N 2.97Å; I144-V148 HydrophobicContact CG2-CG2 3.96Å; I144-V148 WeakPolarHBondContact O-CB 3.16Å; I144-V148 WeakPolarHBondContact O-CG2 3.44Å; I144-V148 PolarHBondContact O-N 3.28Å
145E88.6Confident90.4Very high96 Ų9662.3 Ų62.345%0.44932%0.315SS..Hα-helixtrans-54.8-45.6178.5-157.7-154.5126.500112.5D140 R149D140-E145 PolarHBondContact O-N 2.98Å; E145-R149 VanDerWaalsContact O-CB 3.3Å; E145-R149 WeakPolarHBondContact O-CB 3.21Å; E145-R149 PolarHBondContact O-N 3.01Å; E145-R149 IonicContact OE1-CZ 3.72Å; E145-R149 IonicContact OE1-NH2 2.68Å; E145-R149 PolarHBondContact OE1-NH2 3.5Å
146P89.1Confident90.4Very high19 Ų1959.7 Ų59.712%0.12331%0.309CS..Hα-helixtrans-66.6-42.3176.6-21.235.7000112.6V148 R149 W150P146-V148 PolarHBondContact O-N 3.32Å; P146-R149 WeakPolarHBondContact O-CB 3.49Å; P146-R149 PolarHBondContact O-N 3.5Å; P146-W150 PolarHBondContact O-N 3.37Å
147L88.3Confident90.4Very high6 Ų655.8 Ų55.83%0.03129%0.29CS..Hα-helixtrans-66.3-38.4179.8-175.6146.6000111.8L87 L117 M123 L143 I144 W150 T151 F154L87-L147 HydrophobicContact CD2-CD1 3.52Å; L117-L147 HydrophobicContact CD2-CD1 4.34Å; M123-L147 HydrophobicContact CE-CD1 3.87Å; M123-L147 HydrophobicContact CE-CD2 3.77Å; M123-L147 HydrophobicContact CE-CG 4.39Å; M123-L147 HydrophobicContact CG-CD2 4.4Å; M123-L147 HydrophobicContact SD-CD1 3.93Å; M123-L147 HydrophobicContact SD-CD2 3.9Å; L143-L147 VanDerWaalsContact O-CB 3.27Å; L143-L147 WeakPolarHBondContact O-CB 3.17Å; L143-L147 PolarHBondContact O-N 3.38Å; I144-L147 PolarHBondContact O-N 2.97Å; L147-W150 CarbonylContact O-C 3.59Å; L147-W150 PolarHBondContact O-N 3.36Å; L147-T151 WeakPolarHBondContact O-CB 3.39Å; L147-T151 PolarHBondContact O-N 2.92Å; L147-T151 PolarHBondContact O-OG1 3.38Å; L147-F154 HydrophobicContact CG-CE2 4.27Å
148V88.7Confident90.3Very high90 Ų9055 Ų5555%0.54527%0.273SS..Hα-helixtrans-62.4-45.9171.6171.30000110.3I144 P146 W150 T151I144-V148 HydrophobicContact CG2-CG2 3.96Å; I144-V148 WeakPolarHBondContact O-CB 3.16Å; I144-V148 WeakPolarHBondContact O-CG2 3.44Å; I144-V148 PolarHBondContact O-N 3.28Å; P146-V148 PolarHBondContact O-N 3.32Å; V148-W150 VanDerWaalsContact C-N 3.28Å; V148-W150 PolarHBondContact O-N 2.96Å; V148-T151 WeakPolarHBondContact O-CB 3.26Å; V148-T151 PolarHBondContact O-N 3.48Å; V148-T151 VanDerWaalsContact O-N 3.17Å
149R90.7Very high90.2Very high137 Ų13759 Ų5952%0.51729%0.291SS..Hα-helixtrans-57.5-38.4176.7-165.5-171.2-64.1165.3-1.6112.5E91 E145 P146E91-R149 IonicContact OE1-NH1 3.03Å; E91-R149 PolarHBondContact OE1-NH1 3.48Å; E145-R149 VanDerWaalsContact O-CB 3.3Å; E145-R149 WeakPolarHBondContact O-CB 3.21Å; E145-R149 PolarHBondContact O-N 3.01Å; E145-R149 IonicContact OE1-CZ 3.72Å; E145-R149 IonicContact OE1-NH2 2.68Å; E145-R149 PolarHBondContact OE1-NH2 3.5Å; P146-R149 WeakPolarHBondContact O-CB 3.49Å; P146-R149 PolarHBondContact O-N 3.5Å
150W92.4Very high90Very high58 Ų5861.7 Ų61.722%0.2231%0.309CS..Hα-helixtrans-92.1-4.6178.9-69.8107.2000114.9M90 P146 L147 V148 P152 V153 F154M90-W150 VanDerWaalsContact CB-CD1 3.42Å; M90-W150 HydrophobicContact CB-CD2 3.91Å; M90-W150 HydrophobicContact CB-CG 3.77Å; M90-W150 HydrophobicContact CB-CZ2 4.39Å; M90-W150 HydrophobicContact CE-CB 4.24Å; M90-W150 HydrophobicContact CE-CD2 3.63Å; M90-W150 HydrophobicContact CE-CE3 3.47Å; M90-W150 VanDerWaalsContact CE-CE3 3.47Å; M90-W150 HydrophobicContact CE-CG 3.97Å; M90-W150 HydrophobicContact CE-CZ3 4.04Å; M90-W150 HydrophobicContact CG-CB 4.28Å; M90-W150 HydrophobicContact CG-CD2 4.33Å; M90-W150 HydrophobicContact CG-CG 3.93Å; P146-W150 PolarHBondContact O-N 3.37Å; L147-W150 CarbonylContact O-C 3.59Å; L147-W150 PolarHBondContact O-N 3.36Å; V148-W150 VanDerWaalsContact C-N 3.28Å; V148-W150 PolarHBondContact O-N 2.96Å; W150-P152 VanDerWaalsContact C-CD 3.45Å; W150-V153 HydrophobicContact CE3-CB 4.3Å; W150-V153 HydrophobicContact CE3-CG2 3.91Å; W150-V153 HydrophobicContact CZ3-CG2 4.21Å; W150-V153 WeakPolarHBondContact O-CB 3.28Å; W150-V153 PolarHBondContact O-N 3.27Å; W150-F154 HydrophobicContact CB-CE2 3.89Å; W150-F154 HydrophobicContact CB-CZ 3.91Å; W150-F154 PolarHBondContact O-N 3.32Å
151T90.3Very high89.7Confident39 Ų3960 Ų6024%0.23930%0.3CS..Hα-helixtrans-54.6-39.5179.6-72.30000114.4L147 V148 V153 F154 I155L147-T151 WeakPolarHBondContact O-CB 3.39Å; L147-T151 PolarHBondContact O-N 2.92Å; L147-T151 PolarHBondContact O-OG1 3.38Å; V148-T151 WeakPolarHBondContact O-CB 3.26Å; V148-T151 PolarHBondContact O-N 3.48Å; V148-T151 VanDerWaalsContact O-N 3.17Å; T151-V153 PolarHBondContact O-N 3.37Å; T151-F154 PolarHBondContact O-N 3.22Å; T151-I155 HydrophobicContact CG2-CD1 3.74Å; T151-I155 HydrophobicContact CG2-CG1 4.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.22Å; T151-I155 PolarHBondContact O-N 3.09Å
152P90.9Very high89.3Confident86 Ų8658.2 Ų58.256%0.55829%0.294SS*.Hα-helixtrans-57.4-35.6174.7-26.336000113.5W150 I155 A156W150-P152 VanDerWaalsContact C-CD 3.45Å; P152-I155 PolarHBondContact O-N 3.33Å; P152-A156 WeakPolarHBondContact O-CB 3.46Å; P152-A156 PolarHBondContact O-N 3.11Å
153V91.9Very high88.6Confident21 Ų2157.5 Ų57.513%0.12730%0.302CS..Hα-helixtrans-72.4-40.9178.7173.50000111.2E95 W150 T151 I155 A156 F157E95-V153 HydrophobicContact CB-CG1 4.06Å; E95-V153 HydrophobicContact CG-CG1 3.72Å; W150-V153 HydrophobicContact CE3-CB 4.3Å; W150-V153 HydrophobicContact CE3-CG2 3.91Å; W150-V153 HydrophobicContact CZ3-CG2 4.21Å; W150-V153 WeakPolarHBondContact O-CB 3.28Å; W150-V153 PolarHBondContact O-N 3.27Å; T151-V153 PolarHBondContact O-N 3.37Å; V153-I155 VanDerWaalsContact C-N 3.32Å; V153-I155 PolarHBondContact O-N 3Å; V153-A156 PolarHBondContact O-N 3.15Å; V153-F157 HydrophobicContact CG1-CD2 3.75Å; V153-F157 HydrophobicContact CG1-CE2 3.44Å; V153-F157 VanDerWaalsContact CG1-CE2 3.44Å; V153-F157 HydrophobicContact CG1-CZ 4.48Å; V153-F157 VanDerWaalsContact O-CD2 3.28Å; V153-F157 WeakPolarHBondContact O-CD2 3.34Å; V153-F157 PolarHBondContact O-N 2.8Å
154F92.6Very high87.4Confident1 Ų162.3 Ų62.30%0.00433%0.325CS..Hα-helixtrans-63.1-38.6173.4-54.8-42.4000111.9M90 L98 L114 L117 L147 W150 T151 R158M90-F154 HydrophobicContact CE-CE1 4.12Å; M90-F154 HydrophobicContact CE-CZ 4.38Å; M90-F154 HydrophobicContact CG-CE1 4.47Å; M90-F154 HydrophobicContact CG-CZ 4.01Å; M90-F154 HydrophobicContact SD-CE1 3.87Å; M90-F154 HydrophobicContact SD-CZ 4.02Å; L98-F154 HydrophobicContact CD1-CE1 4.32Å; L98-F154 HydrophobicContact CD2-CD1 3.98Å; L98-F154 HydrophobicContact CD2-CE1 3.92Å; L114-F154 HydrophobicContact CD2-CB 4.05Å; L114-F154 HydrophobicContact CD2-CD1 4.21Å; L114-F154 HydrophobicContact CD2-CG 4.49Å; L117-F154 HydrophobicContact CD1-CD1 4.42Å; L117-F154 HydrophobicContact CD1-CG 4.44Å; L147-F154 HydrophobicContact CG-CE2 4.27Å; W150-F154 HydrophobicContact CB-CE2 3.89Å; W150-F154 HydrophobicContact CB-CZ 3.91Å; W150-F154 PolarHBondContact O-N 3.32Å; T151-F154 PolarHBondContact O-N 3.22Å; F154-R158 WeakPolarHBondContact O-CB 3.41Å; F154-R158 PolarHBondContact O-N 2.62Å
155I90.8Very high85.5Confident68 Ų6869 Ų6935%0.34935%0.352SS..Hα-helixtrans-65.8-40173.5-66.8169.9000111.2C118 T151 P152 V153 R158 K159C118-I155 HydrophobicContact CB-CG1 4.48Å; T151-I155 HydrophobicContact CG2-CD1 3.74Å; T151-I155 HydrophobicContact CG2-CG1 4.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.22Å; T151-I155 PolarHBondContact O-N 3.09Å; P152-I155 PolarHBondContact O-N 3.33Å; V153-I155 VanDerWaalsContact C-N 3.32Å; V153-I155 PolarHBondContact O-N 3Å; I155-R158 PolarHBondContact O-N 2.81Å; I155-K159 HydrophobicContact CG2-CD 4.19Å; I155-K159 WeakPolarHBondContact O-CB 3.14Å; I155-K159 WeakPolarHBondContact O-CG 3.45Å; I155-K159 PolarHBondContact O-N 3.05Å
156A91.6Very high83.6Confident51 Ų5168.8 Ų68.842%0.42136%0.361SS..Hα-helixtrans-63.2-48.5176.600000111.9P152 V153 R158 K159 S160P152-A156 WeakPolarHBondContact O-CB 3.46Å; P152-A156 PolarHBondContact O-N 3.11Å; V153-A156 PolarHBondContact O-N 3.15Å; A156-R158 VanDerWaalsContact C-N 3.34Å; A156-R158 PolarHBondContact O-N 2.69Å; A156-K159 PolarHBondContact O-N 3.11Å; A156-S160 WeakPolarHBondContact O-CB 3.39Å; A156-S160 PolarHBondContact O-N 2.88Å
157F91Very high81.6Confident21 Ų2173.8 Ų73.89%0.09239%0.392CS..Hα-helixtrans-62.5-39.7174.5-75.4-57.4000112.6E95 L98 R99 L102 L114 V153 S160 L161E95-F157 HydrophobicContact CG-CE2 3.72Å; E95-F157 HydrophobicContact CG-CZ 3.53Å; L98-F157 HydrophobicContact CD2-CD2 3.6Å; L98-F157 HydrophobicContact CD2-CE2 3.59Å; R99-F157 HydrophobicContact CB-CE1 3.83Å; R99-F157 HydrophobicContact CB-CZ 3.75Å; R99-F157 HydrophobicContact CG-CE1 3.83Å; R99-F157 HydrophobicContact CG-CZ 4.27Å; L102-F157 HydrophobicContact CD1-CB 4.44Å; L102-F157 HydrophobicContact CD1-CD2 4.44Å; L102-F157 HydrophobicContact CD1-CG 4.27Å; L114-F157 HydrophobicContact CD1-CB 3.78Å; V153-F157 HydrophobicContact CG1-CD2 3.75Å; V153-F157 HydrophobicContact CG1-CE2 3.44Å; V153-F157 VanDerWaalsContact CG1-CE2 3.44Å; V153-F157 HydrophobicContact CG1-CZ 4.48Å; V153-F157 VanDerWaalsContact O-CD2 3.28Å; V153-F157 WeakPolarHBondContact O-CD2 3.34Å; V153-F157 PolarHBondContact O-N 2.8Å; F157-S160 PolarHBondContact O-N 3.43Å; F157-L161 WeakPolarHBondContact O-CG 3.39Å; F157-L161 PolarHBondContact O-N 2.9Å
158R89.4Confident79.6Confident71 Ų7181 Ų8127%0.26842%0.423SS..Hα-helixtrans-60.3-48.3175.6-174.6176.8166-161.9-15111.1L114 F154 I155 A156 L161 E162L114-R158 HydrophobicContact CB-CB 4.09Å; L114-R158 HydrophobicContact CB-CG 4.43Å; F154-R158 WeakPolarHBondContact O-CB 3.41Å; F154-R158 PolarHBondContact O-N 2.62Å; I155-R158 PolarHBondContact O-N 2.81Å; A156-R158 VanDerWaalsContact C-N 3.34Å; A156-R158 PolarHBondContact O-N 2.69Å; R158-L161 PolarHBondContact O-N 2.98Å; R158-E162 HydrophobicContact CG-CG 4.45Å; R158-E162 IonicContact CZ-OE1 2.79Å; R158-E162 VanDerWaalsContact CZ-OE1 3.25Å; R158-E162 IonicContact NE-OE1 3.94Å; R158-E162 PolarHBondContact NE-OE1 3.32Å; R158-E162 IonicContact NE-OE2 2.78Å; R158-E162 IonicContact NH2-OE1 3.61Å; R158-E162 PolarHBondContact NH2-OE1 2.83Å; R158-E162 IonicContact NH2-OE2 2.93Å; R158-E162 WeakPolarHBondContact O-CB 3.48Å; R158-E162 WeakPolarHBondContact O-CG 3.24Å; R158-E162 PolarHBondContact O-N 3.37Å
159K88.3Confident77.7Confident143 Ų14383.5 Ų83.562%0.62243%0.434SS*.Hα-helixtrans-62.9-40.3176.6-75.2178.3178.51800112.2I155 A156 E162 S163I155-K159 HydrophobicContact CG2-CD 4.19Å; I155-K159 WeakPolarHBondContact O-CB 3.14Å; I155-K159 WeakPolarHBondContact O-CG 3.45Å; I155-K159 PolarHBondContact O-N 3.05Å; A156-K159 PolarHBondContact O-N 3.11Å; K159-E162 PolarHBondContact O-N 3.35Å; K159-S163 VanDerWaalsContact O-CB 3.25Å; K159-S163 WeakPolarHBondContact O-CB 3.5Å; K159-S163 PolarHBondContact O-N 3.49Å; K159-S163 PolarHBondContact O-OG 3.33Å
160S86.9Confident75.6Confident56 Ų5685.4 Ų85.439%0.39245%0.448SS..Hα-helixtrans-58.7-52.4174.8174.10000110.9A156 F157 E162 S163 E164A156-S160 WeakPolarHBondContact O-CB 3.39Å; A156-S160 PolarHBondContact O-N 2.88Å; F157-S160 PolarHBondContact O-N 3.43Å; S160-E162 PolarHBondContact O-N 2.97Å; S160-S163 PolarHBondContact O-N 3.37Å; S160-S163 VanDerWaalsContact O-N 3.15Å; S160-S163 PolarHBondContact O-OG 2.9Å; S160-E164 PolarHBondContact O-N 3.14Å
161L83.3Confident73.7Confident23 Ų2391.8 Ų91.812%0.1248%0.477CS..Hα-helixtrans-65.5-38178.1-67.3164.8000112.2V107 C110 K111 L114 F157 R158 S163 E164V107-L161 HydrophobicContact CG1-CD2 4.25Å; C110-L161 HydrophobicContact CB-CD1 3.95Å; K111-L161 VanDerWaalsContact CE-C 3.41Å; K111-L161 WeakPolarHBondContact CE-O 3.39Å; K111-L161 HydrophobicContact CG-CB 3.89Å; K111-L161 PolarHBondContact NZ-O 3.1Å; L114-L161 HydrophobicContact CD1-CD1 3.62Å; F157-L161 WeakPolarHBondContact O-CG 3.39Å; F157-L161 PolarHBondContact O-N 2.9Å; R158-L161 PolarHBondContact O-N 2.98Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-E164 CarbonylContact O-C 3.56Å; L161-E164 WeakPolarHBondContact O-CB 3.23Å; L161-E164 PolarHBondContact O-N 2.82Å
162E81.8Confident72.1Confident93 Ų9399.1 Ų99.144%0.43551%0.506SS..Hα-helixtrans-67.7-30.9173.9-74.3176.2175.500112.3R158 K159 S160R158-E162 HydrophobicContact CG-CG 4.45Å; R158-E162 IonicContact CZ-OE1 2.79Å; R158-E162 VanDerWaalsContact CZ-OE1 3.25Å; R158-E162 IonicContact NE-OE1 3.94Å; R158-E162 PolarHBondContact NE-OE1 3.32Å; R158-E162 IonicContact NE-OE2 2.78Å; R158-E162 IonicContact NH2-OE1 3.61Å; R158-E162 PolarHBondContact NH2-OE1 2.83Å; R158-E162 IonicContact NH2-OE2 2.93Å; R158-E162 WeakPolarHBondContact O-CB 3.48Å; R158-E162 WeakPolarHBondContact O-CG 3.24Å; R158-E162 PolarHBondContact O-N 3.37Å; K159-E162 PolarHBondContact O-N 3.35Å; S160-E162 PolarHBondContact O-N 2.97Å
163S75.8Confident70.2Confident91 Ų91101.4 Ų101.464%0.63652%0.518SS*.Hα-helixtrans-73.4-26.5172.878.40000113.1K159 S160 L161 K165K159-S163 VanDerWaalsContact O-CB 3.25Å; K159-S163 WeakPolarHBondContact O-CB 3.5Å; K159-S163 PolarHBondContact O-N 3.49Å; K159-S163 PolarHBondContact O-OG 3.33Å; S160-S163 PolarHBondContact O-N 3.37Å; S160-S163 VanDerWaalsContact O-N 3.15Å; S160-S163 PolarHBondContact O-OG 2.9Å; L161-S163 VanDerWaalsContact C-N 3.32Å; S163-K165 PolarHBondContact O-N 3.18Å
164E63.5Low68.7Low102 Ų102106.3 Ų106.348%0.47755%0.548SS..  trans-68.166.4156.4-64.8178.8175.400109.8K111 S160 L161K111-E164 PolarHBondContact NZ-O 3.2Å; S160-E164 PolarHBondContact O-N 3.14Å; L161-E164 CarbonylContact O-C 3.56Å; L161-E164 WeakPolarHBondContact O-CB 3.23Å; L161-E164 PolarHBondContact O-N 2.82Å
165K49.9Very low67.3Low177 Ų177114.4 Ų114.477%0.7759%0.586SS**  trans-54139147.8-68.8-179.1179177.90106.6S163 T167S163-K165 PolarHBondContact O-N 3.18Å; K165-T167 PolarHBondContact O-N 3.27Å
166S49.2Very low66Low91 Ų91117 Ų11764%0.63661%0.605SS**  trans-61.6101.4172.352.30000109.1F168S166-F168 PolarHBondContact O-N 3.42Å; S166-F168 WeakPolarHBondContact OG-CE2 3.25Å
167T46.7Very low64.7Low125 Ų125122.5 Ų122.577%0.76762%0.622SS**  trans-59.685.2144.450.20000105.9K165 D169K165-T167 PolarHBondContact O-N 3.27Å; T167-D169 PolarHBondContact O-N 3.27Å; T167-D169 VanDerWaalsContact O-N 3.11Å
168F46.6Very low63.5Low157 Ų157127.1 Ų127.169%0.68965%0.654SS**  trans-49.7117.5142.2-73.6-86000104.6S166 H170S166-F168 PolarHBondContact O-N 3.42Å; S166-F168 WeakPolarHBondContact OG-CE2 3.25Å; F168-H170 PolarHBondContact O-N 3.37Å
169D48.3Very low62.2Low143 Ų143131.1 Ų131.177%0.76567%0.674SS**  trans-57101.9164.6-76.6-49.6000106T167 K171T167-D169 PolarHBondContact O-N 3.27Å; T167-D169 VanDerWaalsContact O-N 3.11Å; D169-K171 PolarHBondContact O-N 2.71Å
170H45.9Very low61Low176 Ų176135.9 Ų135.982%0.81569%0.688SS**  trans-60.286.7157.5-71.4-75.5000104.4F168 K172F168-H170 PolarHBondContact O-N 3.37Å; H170-K172 PolarHBondContact O-N 2.71Å
171K53.4Low59.8Low192 Ų192140 Ų14084%0.83571%0.705SS**  trans-43.3110.3-178.6-71.6-179.8176.8179.60106.2D169 T173D169-K171 PolarHBondContact O-N 2.71Å; K171-T173 PolarHBondContact O-N 2.95Å
172K56.2Low58.6Low194 Ų194144.9 Ų144.984%0.84374%0.736SS**  trans-44.8116.5-167.1-69.9-174.2176.3-174.10108.1H170 T174H170-K172 PolarHBondContact O-N 2.71Å; K172-T174 PolarHBondContact O-N 3.43Å
173T51.7Low57.2Low133 Ų133149.4 Ų149.482%0.81676%0.757SS**  trans-49.2117.3-179.3-58.50000106.9K171 E175K171-T173 PolarHBondContact O-N 2.95Å; T173-E175 VanDerWaalsContact C-N 3.34Å; T173-E175 PolarHBondContact O-N 3.26Å
174T60.4Low56Low124 Ų124150.5 Ų150.576%0.76176%0.762SS**  trans-67.794.8-167-51.90000109.5K172 V176K172-T174 PolarHBondContact O-N 3.43Å; T174-V176 WeakPolarHBondContact O-CG2 3.29Å; T174-V176 PolarHBondContact O-N 3.4Å; T174-V176 VanDerWaalsContact O-N 3.07Å
175E61.7Low55.8Low171 Ų171155 Ų15580%0.79978%0.78SS**  trans-59.6112.7173.4-71.5177.3-173.300108.3T173 Q177T173-E175 VanDerWaalsContact C-N 3.34Å; T173-E175 PolarHBondContact O-N 3.26Å; E175-Q177 VanDerWaalsContact C-N 3.32Å; E175-Q177 PolarHBondContact O-N 3.06Å
176V64.6Low56.6Low123 Ų123152.8 Ų152.875%0.74578%0.783SS**  trans-7785.9-172.4-173.70000108.7T174T174-V176 WeakPolarHBondContact O-CG2 3.29Å; T174-V176 PolarHBondContact O-N 3.4Å; T174-V176 VanDerWaalsContact O-N 3.07Å
177Q64.9Low57.1Low166 Ų166159.6 Ų159.678%0.77680%0.795SS**  trans-60.3126169.7-69.7-166.5-7.300109.2E175 F179E175-Q177 VanDerWaalsContact C-N 3.32Å; E175-Q177 PolarHBondContact O-N 3.06Å; Q177-F179 PolarHBondContact O-N 3.39Å
178P64.3Low57.8Low119 Ų119159.4 Ų159.477%0.77380%0.799SS**  trans-64.6113.3178.625.4-32.9000109.3R180P178-R180 PolarHBondContact O-N 2.83Å
179F62.8Low58.6Low154 Ų154159 Ų15968%0.67580%0.802SS**  trans-65.1124.2-176.334.8-95.1000110.6Q177 L181Q177-F179 PolarHBondContact O-N 3.39Å; F179-L181 HydrophobicContact CD2-CD2 3.54Å; F179-L181 HydrophobicContact CD2-CG 3.84Å; F179-L181 HydrophobicContact CE2-CD1 4.43Å; F179-L181 HydrophobicContact CE2-CD2 3.82Å; F179-L181 HydrophobicContact CE2-CG 4.16Å; F179-L181 PolarHBondContact O-N 2.95Å
180R63.8Low59.2Low243 Ų243157.5 Ų157.592%0.91780%0.8SS**  trans-68104.5171.3-66.1-177.1-177.11790.9108.3P178 T182P178-R180 PolarHBondContact O-N 2.83Å; R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 2.97Å
181L60.3Low60.3Low144 Ų144157 Ų15775%0.75480%0.802SS**  trans-70.673.2-173.8-73.8172.6000113.3F179F179-L181 HydrophobicContact CD2-CD2 3.54Å; F179-L181 HydrophobicContact CD2-CG 3.84Å; F179-L181 HydrophobicContact CE2-CD1 4.43Å; F179-L181 HydrophobicContact CE2-CD2 3.82Å; F179-L181 HydrophobicContact CE2-CG 4.16Å; F179-L181 PolarHBondContact O-N 2.95Å
182T58.9Low61.1Low125 Ų125152.8 Ų152.877%0.76779%0.794SS**PPolyproline II helixtrans-74.1119.1152.343.30000108.1R180 P184R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 2.97Å; T182-P184 VanDerWaalsContact O-CD 3.26Å; T182-P184 WeakPolarHBondContact O-CD 3.46Å; T182-P184 VanDerWaalsContact O-N 3.14Å
183Q51.9Low61.9Low187 Ų187150.8 Ų150.887%0.87479%0.793SS**PPolyproline II helixtrans-63.3117-176.4-69.2-165.13.100110.5
184P51.9Low62.8Low114 Ų114152 Ų15274%0.7479%0.793SS**PPolyproline II helixtrans-74.1133-179.330.1-33000109.4T182T182-P184 VanDerWaalsContact O-CD 3.26Å; T182-P184 WeakPolarHBondContact O-CD 3.46Å; T182-P184 VanDerWaalsContact O-N 3.14Å
185K58.8Low63.1Low198 Ų198152.9 Ų152.986%0.86179%0.791SS**PPolyproline II helixtrans-53.9134.2172.5-73.9-175.5175.2179.80109.4R187K185-R187 PolarHBondContact O-N 2.92Å
186P66.1Low63.6Low130 Ų130149.7 Ų149.784%0.84479%0.785SS**PPolyproline II helixtrans-59.9127.9-17423.5-33.5000110.2S188P186-S188 PolarHBondContact O-N 3.26Å
187R59.8Low63.5Low234 Ų234153.1 Ų153.188%0.88379%0.79SS**PPolyproline II helixtrans-68.6131.6176.5-62.2-179.4-177.4-131.50.1108.5K185 I189K185-R187 PolarHBondContact O-N 2.92Å; R187-I189 PolarHBondContact O-N 2.78Å
188S62.4Low63.6Low120 Ų120153.3 Ų153.384%0.83979%0.793SS**  trans-60.9110.9170.835.80000109.4P186P186-S188 PolarHBondContact O-N 3.26Å
189I63.6Low64.1Low148 Ų148156.1 Ų156.176%0.75980%0.795SS**PPolyproline II helixtrans-68.3128.6174.6-62.6172.8000107.1R187 I191R187-I189 PolarHBondContact O-N 2.78Å; I189-I191 PolarHBondContact O-N 3.41Å
190P59.7Low64.4Low112 Ų112158.9 Ų158.973%0.72781%0.807SS**PPolyproline II helixtrans-62.2126.2177.925.9-33.7000109.5P192P190-P192 VanDerWaalsContact O-CD 3.26Å; P190-P192 WeakPolarHBondContact O-CD 3.43Å
191I69Low65Low165 Ų165155.4 Ų155.485%0.84680%0.803SS**PPolyproline II helixtrans-65.9118.2179.1-57.6175.1000107.7I189I189-I191 PolarHBondContact O-N 3.41Å
192P70.8Confident65.9Low104 Ų104160.2 Ų160.268%0.67581%0.812SS**PPolyproline II helixtrans-70.4144.5178-16.131.1000110.9P190P190-P192 VanDerWaalsContact O-CD 3.26Å; P190-P192 WeakPolarHBondContact O-CD 3.43Å
193D72.9Confident66.9Low152 Ų152161.2 Ų161.281%0.81381%0.812SS**PPolyproline II helixtrans-53.9141.9169-70.1-51.6000110.7I195D193-I195 PolarHBondContact O-N 2.95Å
194I70.4Confident68.2Low160 Ų160155.8 Ų155.882%0.82179%0.793SS**  trans-7092.5-174.1-53.8179.1000109.6
195I67.6Low69.7Low141 Ų141154.4 Ų154.472%0.72378%0.784SS**  trans-55.9122.9173-56.2178000107.8D193 K197D193-I195 PolarHBondContact O-N 2.95Å; I195-K197 PolarHBondContact O-N 3.02Å
196P70.7Confident70.6Confident105 Ų105152 Ų15268%0.68278%0.78SS**  trans-60.5125.1-177.923.3-32.9000109.6M198P196-M198 VanDerWaalsContact C-N 3.28Å; P196-M198 PolarHBondContact O-N 2.86Å
197K63.1Low71.2Confident195 Ų195149.6 Ų149.685%0.84877%0.766SS**  trans-68.582.8-176.4-67.5179.1-179.3174.90110.6I195 H199I195-K197 PolarHBondContact O-N 3.02Å; K197-H199 PolarHBondContact O-N 3.48Å
198M67.6Low72Confident170 Ų170142.6 Ų142.684%0.83775%0.75SS**PPolyproline II helixtrans-52.6133.6166.9-68-172.170.600108.9P196 K200P196-M198 VanDerWaalsContact C-N 3.28Å; P196-M198 PolarHBondContact O-N 2.86Å; M198-K200 PolarHBondContact O-N 2.79Å
199H73.8Confident72.9Confident177 Ų177145.3 Ų145.382%0.81974%0.743SS**PPolyproline II helixtrans-58.6138-179.8-40.5-50.6000109.1K197 M201K197-H199 PolarHBondContact O-N 3.48Å; H199-M201 PolarHBondContact O-N 2.99Å
200K70.4Confident73.8Confident213 Ų213143.7 Ų143.793%0.92674%0.736SS**PPolyproline II helixtrans-53.9119175.6-71.5-172.5176.7-173.50108.5M198M198-K200 PolarHBondContact O-N 2.79Å
201M74.5Confident74.7Confident169 Ų169145.7 Ų145.783%0.83374%0.735SS**PPolyproline II helixtrans-64.3151168.2-58-14476.200108.3H199 D203H199-M201 PolarHBondContact O-N 2.99Å; M201-D203 PolarHBondContact O-N 3.32Å
202R80.9Confident75.4Confident245 Ų245141.1 Ų141.193%0.92572%0.717SS**PPolyproline II helixtrans-60.6137.4173.6-63.1178.5-178172.4-0.3108.4
203D79.2Confident76Confident147 Ų147140.5 Ų140.579%0.78671%0.712SS**PPolyproline II helixtrans-56145172.9-60.7-66.4000110M201M201-D203 PolarHBondContact O-N 3.32Å
204P78.6Confident76.7Confident73 Ų73138.7 Ų138.747%0.47470%0.699SS.*PPolyproline II helixtrans-54.6135175.4-23.933.6000110.2L206 T208P204-L206 PolarHBondContact O-N 3Å; P204-T208 HydrophobicContact CB-CG2 4.38Å
205P83.6Confident77.6Confident85 Ų85135 Ų13555%0.55268%0.68SS**PPolyproline II helixtrans-59.5144.7178.325.9-33.8000109.4S207 T208P205-S207 PolarHBondContact O-N 3.31Å; P205-T208 WeakPolarHBondContact CD-OG1 3.3Å; P205-T208 VanDerWaalsContact O-CB 3.23Å; P205-T208 WeakPolarHBondContact O-CB 3.3Å; P205-T208 PolarHBondContact O-N 3.43Å; P205-T208 PolarHBondContact O-OG1 3.01Å
206L78.5Confident78.5Confident148 Ų148131.8 Ų131.878%0.77567%0.67SS**G310 helixtrans-53.8-29-176.6-71.6163.9000113P204 T208 Y209P204-L206 PolarHBondContact O-N 3Å; L206-T208 PolarHBondContact O-N 2.86Å; L206-T208 VanDerWaalsContact O-N 3.08Å; L206-Y209 PolarHBondContact O-N 3.43Å; L206-Y209 VanDerWaalsContact O-N 3.1Å
207S78.7Confident79.6Confident79 Ų79132 Ų13255%0.55267%0.665SS**G310 helixtrans-57.6-18.3172.360.80000114.9P205 Y209 N210P205-S207 PolarHBondContact O-N 3.31Å; S207-Y209 PolarHBondContact O-N 3.43Å; S207-N210 PolarHBondContact O-N 2.93Å
208T76.9Confident80.9Confident87 Ų87127.5 Ų127.553%0.53465%0.649SS.*G310 helixtrans-65.5-27.1175.7-45.70000112.1P204 P205 L206P204-T208 HydrophobicContact CB-CG2 4.38Å; P205-T208 WeakPolarHBondContact CD-OG1 3.3Å; P205-T208 VanDerWaalsContact O-CB 3.23Å; P205-T208 WeakPolarHBondContact O-CB 3.3Å; P205-T208 PolarHBondContact O-N 3.43Å; P205-T208 PolarHBondContact O-OG1 3.01Å; L206-T208 PolarHBondContact O-N 2.86Å; L206-T208 VanDerWaalsContact O-N 3.08Å
209Y80.7Confident82.1Confident176 Ų176124.7 Ų124.769%0.6964%0.637SS**THydrogen-bonded Turntrans-97.9-14.3179.3-58.5-77000113L206 S207L206-Y209 PolarHBondContact O-N 3.43Å; L206-Y209 VanDerWaalsContact O-N 3.1Å; S207-Y209 PolarHBondContact O-N 3.43Å
210N81.6Confident83Confident114 Ų114121.3 Ų121.361%0.6162%0.623SS**SBendtrans-73130.9174-67-9.9000109.4S207S207-N210 PolarHBondContact O-N 2.93Å
211Q79.5Confident84.1Confident155 Ų155116.6 Ų116.672%0.72460%0.604SS**PPolyproline II helixtrans-66136.1174.7-75.2-168.5-9.100110.8I215Q211-I215 HydrophobicContact CB-CD1 4.44Å
212P83.5Confident85.1Confident69 Ų69115.7 Ų115.745%0.44860%0.596SS.*PPolyproline II helixtrans-62.8136.7177.821.9-31000111.3E214 I215P212-E214 WeakPolarHBondContact CB-OE2 3.45Å; P212-E214 PolarHBondContact O-N 3.37Å; P212-E214 VanDerWaalsContact O-N 3.08Å; P212-I215 HydrophobicContact CG-CD1 3.82Å; P212-I215 HydrophobicContact CG-CG1 4.11Å; P212-I215 PolarHBondContact O-N 2.98Å
213P84Confident85.8Confident90 Ų90108.2 Ų108.258%0.58457%0.574SS**Hα-helixtrans-59.8-23.8-174.624.8-34.8000113.4I215 S216 L217P213-I215 PolarHBondContact O-N 3.2Å; P213-S216 WeakPolarHBondContact O-CB 3.4Å; P213-S216 PolarHBondContact O-N 3.49Å; P213-L217 PolarHBondContact O-N 2.96Å
214E86.7Confident86.5Confident114 Ų114108.1 Ų108.153%0.53357%0.567SS.*Hα-helixtrans-52.4-34172-67.782.3173.300112.8P212 L217 L218P212-E214 WeakPolarHBondContact CB-OE2 3.45Å; P212-E214 PolarHBondContact O-N 3.37Å; P212-E214 VanDerWaalsContact O-N 3.08Å; E214-L217 PolarHBondContact O-N 3.12Å; E214-L218 WeakPolarHBondContact O-CB 3.27Å; E214-L218 WeakPolarHBondContact O-CG 3.37Å; E214-L218 PolarHBondContact O-N 3.37Å
215I88.5Confident87.3Confident84 Ų84108.5 Ų108.543%0.43157%0.565SS.*Hα-helixtrans-66.2-41.1177.1-64.3175.2000110.7Q211 P212 P213 L219Q211-I215 HydrophobicContact CB-CD1 4.44Å; P212-I215 HydrophobicContact CG-CD1 3.82Å; P212-I215 HydrophobicContact CG-CG1 4.11Å; P212-I215 PolarHBondContact O-N 2.98Å; P213-I215 PolarHBondContact O-N 3.2Å; I215-L219 PolarHBondContact O-N 2.94Å; I215-L219 VanDerWaalsContact O-N 3.1Å
216S88.3Confident87.8Confident72 Ų72113.6 Ų113.650%0.50357%0.573SS.*Hα-helixtrans-67.1-44.8176.2-171.60000111P213 L218 L219 M220P213-S216 WeakPolarHBondContact O-CB 3.4Å; P213-S216 PolarHBondContact O-N 3.49Å; S216-L218 PolarHBondContact O-N 3.23Å; S216-L219 WeakPolarHBondContact O-CB 3.37Å; S216-L219 PolarHBondContact O-N 3.32Å; S216-L219 VanDerWaalsContact O-N 3.09Å; S216-M220 WeakPolarHBondContact O-CG 3.42Å; S216-M220 PolarHBondContact O-N 2.93Å
217L92.4Very high88.5Confident109 Ų109112.1 Ų112.157%0.57156%0.562SS**Hα-helixtrans-59.2-44.9176.3-67.1172.3000112P213 E214 L219 M220 E221P213-L217 PolarHBondContact O-N 2.96Å; E214-L217 PolarHBondContact O-N 3.12Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.94Å; L217-M220 PolarHBondContact O-N 3.32Å; L217-E221 WeakPolarHBondContact O-CB 3.41Å; L217-E221 PolarHBondContact O-N 2.7Å
218L90.9Very high89.3Confident101 Ų101114 Ų11453%0.52956%0.562SS.*Hα-helixtrans-63.3-31.6175.1-74.4168.7000112.9E214 S216 K222E214-L218 WeakPolarHBondContact O-CB 3.27Å; E214-L218 WeakPolarHBondContact O-CG 3.37Å; E214-L218 PolarHBondContact O-N 3.37Å; S216-L218 PolarHBondContact O-N 3.23Å; L218-K222 WeakPolarHBondContact O-CB 3.31Å; L218-K222 WeakPolarHBondContact O-CG 3.43Å; L218-K222 PolarHBondContact O-N 2.97Å
219L92.6Very high90Very high111 Ų111115.4 Ų115.458%0.58157%0.565SS**Hα-helixtrans-70.6-44.3174.5-161.277.7000111.3I215 S216 L217 E221 K222 N223I215-L219 PolarHBondContact O-N 2.94Å; I215-L219 VanDerWaalsContact O-N 3.1Å; S216-L219 WeakPolarHBondContact O-CB 3.37Å; S216-L219 PolarHBondContact O-N 3.32Å; S216-L219 VanDerWaalsContact O-N 3.09Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.94Å; L219-E221 VanDerWaalsContact C-N 3.34Å; L219-E221 PolarHBondContact O-N 2.93Å; L219-K222 PolarHBondContact O-N 3.47Å; L219-N223 PolarHBondContact O-N 2.93Å
220M93.3Very high90.6Very high107 Ų107111.9 Ų111.953%0.52756%0.555SS.*Hα-helixtrans-62-41.5174.3-64.4-177.18700111.6S216 L217 N223 K224S216-M220 WeakPolarHBondContact O-CG 3.42Å; S216-M220 PolarHBondContact O-N 2.93Å; L217-M220 PolarHBondContact O-N 3.32Å; M220-N223 PolarHBondContact O-N 2.8Å; M220-K224 WeakPolarHBondContact O-CG 3.24Å; M220-K224 PolarHBondContact O-N 3.07Å
221E93.9Very high91.1Very high113 Ų113113.9 Ų113.953%0.52856%0.558SS.*Hα-helixtrans-68.8-38.4178-173.9167.5-13000112.4L217 L219 N223 K224 N225L217-E221 WeakPolarHBondContact O-CB 3.41Å; L217-E221 PolarHBondContact O-N 2.7Å; L219-E221 VanDerWaalsContact C-N 3.34Å; L219-E221 PolarHBondContact O-N 2.93Å; E221-N223 VanDerWaalsContact C-N 3.34Å; E221-N223 PolarHBondContact O-N 2.98Å; E221-K224 PolarHBondContact O-N 3.27Å; E221-N225 WeakPolarHBondContact O-CB 3.21Å; E221-N225 PolarHBondContact O-N 3.05Å; E221-N225 PolarHBondContact O-ND2 2.94Å
222K94.8Very high91.7Very high151 Ų151111.1 Ų111.166%0.65755%0.548SS*.Hα-helixtrans-57.1-45.4168.9-87-179.4174.5177.90112L218 L219 N225 R226L218-K222 WeakPolarHBondContact O-CB 3.31Å; L218-K222 WeakPolarHBondContact O-CG 3.43Å; L218-K222 PolarHBondContact O-N 2.97Å; L219-K222 PolarHBondContact O-N 3.47Å; K222-N225 PolarHBondContact O-N 3.47Å; K222-R226 WeakPolarHBondContact O-CB 3.48Å; K222-R226 PolarHBondContact O-N 3.42Å
223N95.7Very high92.1Very high87 Ų87114.1 Ų114.147%0.46555%0.554SS.*Hα-helixtrans-67.7-41.1179.7-74.1-13.9000112.5L219 M220 E221 R226 H227L219-N223 PolarHBondContact O-N 2.93Å; M220-N223 PolarHBondContact O-N 2.8Å; E221-N223 VanDerWaalsContact C-N 3.34Å; E221-N223 PolarHBondContact O-N 2.98Å; N223-R226 WeakPolarHBondContact O-CB 3.36Å; N223-R226 PolarHBondContact O-N 3.32Å; N223-H227 PolarHBondContact O-N 3.48Å; N223-H227 VanDerWaalsContact O-N 3.12Å
224K94.2Very high92.3Very high145 Ų145113.8 Ų113.863%0.6355%0.546SS*.Hα-helixtrans-57.5-50.5172-73.9172.9-179.6177.80111.5M220 E221 R226 H227 Q228M220-K224 WeakPolarHBondContact O-CG 3.24Å; M220-K224 PolarHBondContact O-N 3.07Å; E221-K224 PolarHBondContact O-N 3.27Å; K224-R226 VanDerWaalsContact C-N 3.29Å; K224-R226 PolarHBondContact O-N 3.34Å; K224-H227 PolarHBondContact O-N 2.91Å; K224-Q228 WeakPolarHBondContact O-CB 3.28Å; K224-Q228 PolarHBondContact O-N 3.28Å
225N94.7Very high92.2Very high82 Ų82113.8 Ų113.844%0.43955%0.546SS..Hα-helixtrans-59-39.2175.8-81.1-54.1000112.1E221 K222 Q228 I229E221-N225 WeakPolarHBondContact O-CB 3.21Å; E221-N225 PolarHBondContact O-N 3.05Å; E221-N225 PolarHBondContact O-ND2 2.94Å; K222-N225 PolarHBondContact O-N 3.47Å; N225-Q228 PolarHBondContact O-N 3.46Å; N225-I229 WeakPolarHBondContact O-CB 3.26Å; N225-I229 VanDerWaalsContact O-CG1 3.28Å; N225-I229 WeakPolarHBondContact O-CG1 3.43Å; N225-I229 PolarHBondContact O-N 2.9Å
226R94.4Very high92.1Very high191 Ų191113.4 Ų113.472%0.72155%0.551SS**Hα-helixtrans-61.1-48.6178.9-154.5177.5-167.1-149.21.5111.9K222 N223 K224 Q228 I229 E230K222-R226 WeakPolarHBondContact O-CB 3.48Å; K222-R226 PolarHBondContact O-N 3.42Å; N223-R226 WeakPolarHBondContact O-CB 3.36Å; N223-R226 PolarHBondContact O-N 3.32Å; K224-R226 VanDerWaalsContact C-N 3.29Å; K224-R226 PolarHBondContact O-N 3.34Å; R226-Q228 VanDerWaalsContact C-N 3.3Å; R226-Q228 PolarHBondContact O-N 2.93Å; R226-I229 PolarHBondContact O-N 3Å; R226-E230 VanDerWaalsContact O-CB 3.31Å; R226-E230 WeakPolarHBondContact O-CB 3.36Å; R226-E230 PolarHBondContact O-N 2.9Å
227H94Very high91.8Very high117 Ų117113.5 Ų113.554%0.54255%0.546SS..Hα-helixtrans-67-29.2174.6-70.9-44.9000113.4N223 K224 E230 K231N223-H227 PolarHBondContact O-N 3.48Å; N223-H227 VanDerWaalsContact O-N 3.12Å; K224-H227 PolarHBondContact O-N 2.91Å; H227-E230 IonicContact CE1-OE2 3.68Å; H227-E230 IonicContact CG-OE2 3.62Å; H227-E230 IonicContact ND1-OE2 3.2Å; H227-E230 PolarHBondContact ND1-OE2 3.42Å; H227-E230 PolarHBondContact O-N 3.46Å; H227-K231 WeakPolarHBondContact O-CG 3.47Å; H227-K231 PolarHBondContact O-N 3.21Å
228Q94Very high91.2Very high120 Ų120118.1 Ų118.156%0.56156%0.556SS**Hα-helixtrans-72.7-41.8177.2-161.4165.75.800111.4K224 N225 R226 E230 K231 L232K224-Q228 WeakPolarHBondContact O-CB 3.28Å; K224-Q228 PolarHBondContact O-N 3.28Å; N225-Q228 PolarHBondContact O-N 3.46Å; R226-Q228 VanDerWaalsContact C-N 3.3Å; R226-Q228 PolarHBondContact O-N 2.93Å; Q228-E230 VanDerWaalsContact C-N 3.33Å; Q228-K231 PolarHBondContact O-N 2.62Å; Q228-L232 WeakPolarHBondContact O-CB 3.45Å; Q228-L232 VanDerWaalsContact O-CG 3.28Å; Q228-L232 WeakPolarHBondContact O-CG 3.41Å; Q228-L232 PolarHBondContact O-N 3.22Å
229I91.9Very high90.7Very high116 Ų116119.7 Ų119.760%0.59556%0.564SS**Hα-helixtrans-59.4-43.3168.9-69.8-72.1000111N225 R226 L232 K233N225-I229 WeakPolarHBondContact O-CB 3.26Å; N225-I229 VanDerWaalsContact O-CG1 3.28Å; N225-I229 WeakPolarHBondContact O-CG1 3.43Å; N225-I229 PolarHBondContact O-N 2.9Å; R226-I229 PolarHBondContact O-N 3Å; I229-L232 PolarHBondContact O-N 3.49Å; I229-K233 WeakPolarHBondContact O-CB 3.48Å; I229-K233 PolarHBondContact O-N 3.26Å
230E93.5Very high89.9Confident102 Ų102118.6 Ų118.648%0.47756%0.555SS.*Hα-helixtrans-62.8-45.2179.2-175167.2-124.100112.3R226 H227 Q228 K233 I234R226-E230 VanDerWaalsContact O-CB 3.31Å; R226-E230 WeakPolarHBondContact O-CB 3.36Å; R226-E230 PolarHBondContact O-N 2.9Å; H227-E230 IonicContact CE1-OE2 3.68Å; H227-E230 IonicContact CG-OE2 3.62Å; H227-E230 IonicContact ND1-OE2 3.2Å; H227-E230 PolarHBondContact ND1-OE2 3.42Å; H227-E230 PolarHBondContact O-N 3.46Å; Q228-E230 VanDerWaalsContact C-N 3.33Å; E230-K233 PolarHBondContact O-N 2.96Å; E230-I234 WeakPolarHBondContact O-CG1 3.31Å; E230-I234 PolarHBondContact O-N 3.38Å
231K92.9Very high89.1Confident156 Ų156117.5 Ų117.568%0.67856%0.555SS**Hα-helixtrans-61.9-43.9172-74.8178.2178.9-177.10112.5H227 Q228 K233 I234 Q235H227-K231 WeakPolarHBondContact O-CG 3.47Å; H227-K231 PolarHBondContact O-N 3.21Å; Q228-K231 PolarHBondContact O-N 2.62Å; K231-K233 VanDerWaalsContact C-N 3.33Å; K231-K233 PolarHBondContact O-N 3.43Å; K231-I234 PolarHBondContact O-N 2.9Å; K231-Q235 WeakPolarHBondContact O-CB 3.38Å; K231-Q235 PolarHBondContact O-N 2.87Å
232L91.4Very high88Confident97 Ų97123.1 Ų123.151%0.50857%0.571SS.*Hα-helixtrans-64.4-36.9176.6-73.4169.6000111.9Q228 I229 Q235 S236Q228-L232 WeakPolarHBondContact O-CB 3.45Å; Q228-L232 VanDerWaalsContact O-CG 3.28Å; Q228-L232 WeakPolarHBondContact O-CG 3.41Å; Q228-L232 PolarHBondContact O-N 3.22Å; I229-L232 PolarHBondContact O-N 3.49Å; L232-Q235 PolarHBondContact O-N 3.09Å; L232-S236 WeakPolarHBondContact O-CB 2.91Å; L232-S236 PolarHBondContact O-N 3.06Å
233K91.4Very high86.7Confident132 Ų132121.4 Ų121.457%0.57458%0.578SS**Hα-helixtrans-62.5-51.2173.5-170.2-163.5169.6-165.70110.6I229 E230 K231 Q235 S236 D237I229-K233 WeakPolarHBondContact O-CB 3.48Å; I229-K233 PolarHBondContact O-N 3.26Å; E230-K233 PolarHBondContact O-N 2.96Å; K231-K233 VanDerWaalsContact C-N 3.33Å; K231-K233 PolarHBondContact O-N 3.43Å; K233-Q235 PolarHBondContact O-N 2.96Å; K233-S236 CarbonylContact O-C 3.52Å; K233-S236 WeakPolarHBondContact O-CA 3.37Å; K233-S236 WeakPolarHBondContact O-CB 3.4Å; K233-S236 PolarHBondContact O-N 3.4Å; K233-D237 VanDerWaalsContact CE-OD2 3.26Å; K233-D237 WeakPolarHBondContact CE-OD2 3.47Å; K233-D237 WeakPolarHBondContact O-CB 3.43Å; K233-D237 PolarHBondContact O-N 3.08Å
234I88.1Confident85.2Confident82 Ų82120 Ų12042%0.42158%0.577SS.*Hα-helixtrans-57.8-38.8177.2-66.7163.1000111.2E230 K231 R238E230-I234 WeakPolarHBondContact O-CG1 3.31Å; E230-I234 PolarHBondContact O-N 3.38Å; K231-I234 PolarHBondContact O-N 2.9Å; I234-R238 WeakPolarHBondContact O-CB 3.18Å; I234-R238 VanDerWaalsContact O-CG 3.24Å; I234-R238 WeakPolarHBondContact O-CG 3.45Å; I234-R238 PolarHBondContact O-N 3.1Å; I234-R238 VanDerWaalsContact O-N 3.09Å
235Q86.1Confident83.7Confident115 Ų115116.5 Ų116.554%0.53757%0.566SS.*Hα-helixtrans-67.5-39175.2-171.7175.25.100112.5K231 L232 K233 L239K231-Q235 WeakPolarHBondContact O-CB 3.38Å; K231-Q235 PolarHBondContact O-N 2.87Å; L232-Q235 PolarHBondContact O-N 3.09Å; K233-Q235 PolarHBondContact O-N 2.96Å; Q235-L239 HydrophobicContact CG-CD1 4.4Å; Q235-L239 WeakPolarHBondContact O-CG 3.31Å; Q235-L239 PolarHBondContact O-N 3.43Å
236S85.1Confident81.7Confident75 Ų75118.8 Ų118.852%0.52458%0.577SS.*Hα-helixtrans-67.2-43174.5-1710000112L232 K233 R238 L239 K240L232-S236 WeakPolarHBondContact O-CB 2.91Å; L232-S236 PolarHBondContact O-N 3.06Å; K233-S236 CarbonylContact O-C 3.52Å; K233-S236 WeakPolarHBondContact O-CA 3.37Å; K233-S236 WeakPolarHBondContact O-CB 3.4Å; K233-S236 PolarHBondContact O-N 3.4Å; S236-R238 VanDerWaalsContact C-N 3.3Å; S236-R238 PolarHBondContact O-N 3.02Å; S236-L239 CarbonylContact O-C 3.58Å; S236-L239 PolarHBondContact O-N 3.21Å; S236-K240 PolarHBondContact O-N 3.02Å
237D82.9Confident79.6Confident74 Ų74116.5 Ų116.540%0.39658%0.577SS.*Hα-helixtrans-65-33.9179.3-70-25.3000111.3K233 L239 K240K233-D237 VanDerWaalsContact CE-OD2 3.26Å; K233-D237 WeakPolarHBondContact CE-OD2 3.47Å; K233-D237 WeakPolarHBondContact O-CB 3.43Å; K233-D237 PolarHBondContact O-N 3.08Å; D237-L239 VanDerWaalsContact C-N 3.3Å; D237-L239 PolarHBondContact O-N 2.75Å; D237-K240 WeakPolarHBondContact O-CG 3.31Å
238R80.5Confident77.6Confident206 Ų206119.6 Ų119.678%0.77759%0.585SS**Hα-helixtrans-68.9-22.8170.5-73.7170.4-178.5-1680.4114.2I234 S236I234-R238 WeakPolarHBondContact O-CB 3.18Å; I234-R238 VanDerWaalsContact O-CG 3.24Å; I234-R238 WeakPolarHBondContact O-CG 3.45Å; I234-R238 PolarHBondContact O-N 3.1Å; I234-R238 VanDerWaalsContact O-N 3.09Å; S236-R238 VanDerWaalsContact C-N 3.3Å; S236-R238 PolarHBondContact O-N 3.02Å
239L79.3Confident75.1Confident135 Ų135116.9 Ų116.971%0.70759%0.59SS**Hα-helixtrans-102.7-3-179-69.2174.5000113Q235 S236 D237Q235-L239 HydrophobicContact CG-CD1 4.4Å; Q235-L239 WeakPolarHBondContact O-CG 3.31Å; Q235-L239 PolarHBondContact O-N 3.43Å; S236-L239 CarbonylContact O-C 3.58Å; S236-L239 PolarHBondContact O-N 3.21Å; D237-L239 VanDerWaalsContact C-N 3.3Å; D237-L239 PolarHBondContact O-N 2.75Å
240K75.7Confident72.7Confident88 Ų88118.4 Ų118.438%0.38360%0.599SS.*SBendtrans-66138.7-179.986-173.5-174173.90110S236 D237 A244 D245S236-K240 PolarHBondContact O-N 3.02Å; D237-K240 WeakPolarHBondContact O-CG 3.31Å; K240-A244 HydrophobicContact CB-CB 4.38Å; K240-A244 HydrophobicContact CG-CB 4.49Å; K240-D245 WeakPolarHBondContact CE-OD1 3.47Å; K240-D245 VanDerWaalsContact CE-OD2 3.24Å; K240-D245 WeakPolarHBondContact CE-OD2 3.47Å; K240-D245 IonicContact NZ-OD1 3.05Å; K240-D245 PolarHBondContact NZ-OD1 2.95Å; K240-D245 IonicContact NZ-OD2 2.68Å
241P76Confident70.1Confident83 Ų83120.8 Ų120.854%0.53961%0.611SS.*  trans-69.7148.6173.630.9-34.8000109.9C243 A244P241-C243 PolarHBondContact O-N 3.05Å; P241-A244 HydrophobicContact CG-CB 4.24Å; P241-A244 VanDerWaalsContact O-CB 3.31Å; P241-A244 WeakPolarHBondContact O-CB 3.28Å; P241-A244 PolarHBondContact O-N 2.86Å
242R70.7Confident67.4Low231 Ų231121.4 Ų121.487%0.87261%0.613SS**THydrogen-bonded Turntrans-60.3-11.8-178.1-159.8178.7-174.1-175.82.9114.6
243C68.1Low64.9Low116 Ų116124.8 Ų124.878%0.78463%0.63SS**THydrogen-bonded Turntrans-89.3-2.6172.560.40000114.1P241P241-C243 PolarHBondContact O-N 3.05Å
244A64.8Low62.3Low56 Ų56124 Ų12446%0.46364%0.636SS.*SBendtrans-86.6-10.9168.100000112.3K240 P241 I246K240-A244 HydrophobicContact CB-CB 4.38Å; K240-A244 HydrophobicContact CG-CB 4.49Å; P241-A244 HydrophobicContact CG-CB 4.24Å; P241-A244 VanDerWaalsContact O-CB 3.31Å; P241-A244 WeakPolarHBondContact O-CB 3.28Å; P241-A244 PolarHBondContact O-N 2.86Å; A244-I246 PolarHBondContact O-N 3.38Å
245D62Low59.6Low72 Ų72127.4 Ų127.439%0.38566%0.656SS.*SBendtrans-71105.2162.2-69.8-68.5000108.6K240 I247K240-D245 WeakPolarHBondContact CE-OD1 3.47Å; K240-D245 VanDerWaalsContact CE-OD2 3.24Å; K240-D245 WeakPolarHBondContact CE-OD2 3.47Å; K240-D245 IonicContact NZ-OD1 3.05Å; K240-D245 PolarHBondContact NZ-OD1 2.95Å; K240-D245 IonicContact NZ-OD2 2.68Å; D245-I247 PolarHBondContact O-N 2.84Å
246I51.8Low57.2Low130 Ų130128.9 Ų128.967%0.66767%0.667SS**  trans-68.491.7164.3-59176.1000106A244 Y248A244-I246 PolarHBondContact O-N 3.38Å; I246-Y248 VanDerWaalsContact C-N 3.29Å; I246-Y248 HydrophobicContact CB-CE2 4.37Å; I246-Y248 HydrophobicContact CG2-CD2 4.04Å; I246-Y248 HydrophobicContact CG2-CE2 3.78Å; I246-Y248 PolarHBondContact O-N 2.76Å
247I52.2Low54.7Low143 Ų143134 Ų13473%0.73368%0.683SS**  trans-66.397.6165.2-58.1174.5000105.6D245 G249D245-I247 PolarHBondContact O-N 2.84Å; I247-G249 PolarHBondContact O-N 3.3Å
248Y51.9Low52.5Low182 Ų182137.2 Ų137.271%0.71470%0.7SS**  trans-59.1110.3156.7-72.7-86.8000105.9I246 D250I246-Y248 VanDerWaalsContact C-N 3.29Å; I246-Y248 HydrophobicContact CB-CE2 4.37Å; I246-Y248 HydrophobicContact CG2-CD2 4.04Å; I246-Y248 HydrophobicContact CG2-CE2 3.78Å; I246-Y248 PolarHBondContact O-N 2.76Å; Y248-D250 PolarHBondContact O-N 2.87Å
249G41Very low50.1Low64 Ų64136.7 Ų136.766%0.6671%0.706SS**  trans-76.265-178.600000110.5I247 E251I247-G249 PolarHBondContact O-N 3.3Å; G249-E251 PolarHBondContact O-N 2.68Å; G249-E251 VanDerWaalsContact O-N 3.15Å
250D41Very low47.6Very low148 Ų148135 Ų13579%0.79170%0.704SS**  trans-61116.1170.5-72.9-16.4000107.8Y248 K252Y248-D250 PolarHBondContact O-N 2.87Å; D250-K252 PolarHBondContact O-N 2.96Å
251E39.3Very low45.3Very low152 Ų152138.2 Ų138.271%0.7173%0.726SS**  trans-68.9131.1-168.3-61.8-166.4163.900111.7G249G249-E251 PolarHBondContact O-N 2.68Å; G249-E251 VanDerWaalsContact O-N 3.15Å
252K36.8Very low43.3Very low168 Ų168143.7 Ų143.773%0.7374%0.742SS**  trans59.471.2157.4-52.9155.5-172.3135.30115.3D250D250-K252 PolarHBondContact O-N 2.96Å
253I38.8Very low41.6Very low169 Ų169142 Ų14287%0.86774%0.741SS**  trans-104110.5139.2-58.9-177.2000107.3
254T35.9Very low39.7Very low115 Ų115144.5 Ų144.571%0.70675%0.746SS**  trans-70.9142.2179.444.60000111.3N256T254-N256 PolarHBondContact O-N 3.06Å
255N32.3Very low38.1Very low154 Ų154149.3 Ų149.382%0.82476%0.764SS**  trans-55105.9173.9-66.5-24.4000111.6
256N35.5Very low36.8Very low145 Ų145150 Ų15078%0.77578%0.775SS**  trans-107.2104.4152.6-87.2-4.9000107.6T254 N258T254-N256 PolarHBondContact O-N 3.06Å; N256-N258 PolarHBondContact O-N 3.26Å
257Q32.5Very low35.7Very low184 Ų184149.6 Ų149.686%0.8678%0.778SS**  trans-72.4105.6168.9-62.8168.2-89.700107.5
258N35.4Very low34.6Very low140 Ų140148.3 Ų148.375%0.74978%0.777SS**  trans-128103.4164.6-88.3-22.8000108.4N256 C260N256-N258 PolarHBondContact O-N 3.26Å; N258-C260 PolarHBondContact O-N 2.96Å
259E30.7Very low33.6Very low196 Ų196147 Ų14792%0.91678%0.782SS**  trans-79101.9176.5-178.3169.7-124.100108.3
260C27.3Very low33.2Very low98 Ų98151.1 Ų151.166%0.66279%0.788SS**  trans-127.687.9-179.4-73.20000110N258 F262N258-C260 PolarHBondContact O-N 2.96Å; C260-F262 PolarHBondContact O-N 3.37Å; C260-F262 VanDerWaalsContact O-N 3.15Å
261D27.6Very low32.9Very low157 Ų157152.1 Ų152.184%0.8479%0.788SS**  trans-59.9112.3162.9-79.2-40.7000109.5
262F32.9Very low32.5Very low198 Ų198152 Ų15287%0.86879%0.791SS**  trans-121.8133158.8-94.6-90.6000109.8C260C260-F262 PolarHBondContact O-N 3.37Å; C260-F262 VanDerWaalsContact O-N 3.15Å
263K35.6Very low32.5Very low195 Ų195151 Ų15185%0.84880%0.8SS**  trans-79.4167-167.6-65.5170.3-178.7171.30111.3D265K263-D265 PolarHBondContact O-N 3.26Å
264D28.6Very low32.3Very low169 Ų169147.5 Ų147.590%0.90479%0.79SS**  trans-49.2128166-51.2-86.5000110.9
265D31.5Very low32.2Very low156 Ų156149 Ų14983%0.83479%0.794SS**  trans-142171.6149-143.2-30.5000109.8K263K263-D265 PolarHBondContact O-N 3.26Å
266S33.4Very low32.3Very low87 Ų87149.8 Ų149.861%0.60880%0.798SS**  trans-112.5170.1-136.3540000114.8
267T30.5Very low32.2Very low122 Ų122153.1 Ų153.175%0.74881%0.806SS**  trans67.7110.1164.953.30000119.8
268V27.5Very low32.4Very low116 Ų116149.6 Ų149.670%0.70380%0.802SS**  36.8106.1124.6-171.40000117.4
269N31.8Very low32.3Very low153 Ų153151.7 Ų151.782%0.81881%0.809SS**  trans-138.3121.1131.3-90.8-52.9000108.8
270I32.1Very low32.4Very low152 Ų152150.9 Ų150.978%0.77981%0.808SS**  trans-117.990.8175.7-58.4174.5000106
271E34Very low33Very low169 Ų169153.3 Ų153.379%0.7981%0.814SS**  trans-123.7135.5174.1-67.1-160.2145.400111.2T273E271-T273 PolarHBondContact O-N 3.34Å; E271-T273 VanDerWaalsContact O-N 3.15Å
272D32.8Very low33.6Very low148 Ų148151 Ų15179%0.79181%0.807SS**  trans-73.3100.3-163.7-72.7-67000114.1S274D272-S274 PolarHBondContact O-N 3.45Å
273T35.7Very low33.9Very low147 Ų147147.2 Ų147.290%0.90281%0.806SS**  trans-81.460.9163.739.10000111.8E271 N275E271-T273 PolarHBondContact O-N 3.34Å; E271-T273 VanDerWaalsContact O-N 3.15Å; T273-N275 VanDerWaalsContact C-N 3.33Å; T273-N275 PolarHBondContact O-N 2.96Å
274S34.9Very low34.2Very low96 Ų96143.5 Ų143.567%0.67180%0.799SS**  trans-75.669.5-18057.20000113.6D272D272-S274 PolarHBondContact O-N 3.45Å
275N33.3Very low34.5Very low148 Ų148144 Ų14479%0.79179%0.793SS**  trans-168.598.8158.3-99-35.9000113.3T273T273-N275 VanDerWaalsContact C-N 3.33Å; T273-N275 PolarHBondContact O-N 2.96Å
276N34.8Very low34.8Very low170 Ų170144.3 Ų144.391%0.90979%0.794SS**  trans-172.468.1152.3-100.8-35.8000111.5
277K33.3Very low34.9Very low214 Ų214147.4 Ų147.493%0.9380%0.799SS**  trans-121.954.3-179.8-94.2-176.3176.6170.40112.8
278S36Very low35.3Very low111 Ų111146.3 Ų146.378%0.77680%0.797SS**  trans-155.151.3171.4-168.90000115.2
279M33.1Very low36Very low183 Ų183148.7 Ų148.790%0.90180%0.8SS**  trans-98.4108.8153.4-72.6-16975.500108.9N281M279-N281 PolarHBondContact O-N 3.22Å
280M34.6Very low36.2Very low180 Ų180152.3 Ų152.389%0.88780%0.802SS**  trans-69.9115.1172.7-80.2-136.7170.600109.5P282M280-P282 VanDerWaalsContact O-CD 3.28Å; M280-P282 WeakPolarHBondContact O-CD 3.4Å
281N39Very low36.6Very low148 Ų148151 Ų15179%0.79180%0.801SS**  trans-62.6115.5167.6-71.2-34.7000108.7M279 S283M279-N281 PolarHBondContact O-N 3.22Å; N281-S283 PolarHBondContact O-N 2.97Å
282P39.9Very low37Very low108 Ų108147.4 Ų147.470%0.70180%0.795SS**  trans-63.7131.3178.226.9-33.5000108.9M280 V284M280-P282 VanDerWaalsContact O-CD 3.28Å; M280-P282 WeakPolarHBondContact O-CD 3.4Å; P282-V284 VanDerWaalsContact C-N 3.28Å; P282-V284 PolarHBondContact O-N 3.44Å
283S39.8Very low37.6Very low120 Ų120145.8 Ų145.884%0.83980%0.795SS**  trans-73.580.3-175.9-67.50000111.4N281 K285N281-S283 PolarHBondContact O-N 2.97Å; S283-K285 PolarHBondContact O-N 3.45Å
284V41.3Very low38Very low117 Ų117144.8 Ų144.871%0.70978%0.784SS**  trans-59.7104.6171.6179.70000108.4P282 L286P282-V284 VanDerWaalsContact C-N 3.28Å; P282-V284 PolarHBondContact O-N 3.44Å; V284-L286 PolarHBondContact O-N 3.27Å
285K35.2Very low38.5Very low179 Ų179148.8 Ų148.878%0.77879%0.79SS**  trans-62.8104.5171.4-77.9179.6174.91770108.6S283 E287S283-K285 PolarHBondContact O-N 3.45Å; K285-E287 PolarHBondContact O-N 3Å
286L37Very low38.9Very low162 Ų162150.8 Ų150.885%0.84879%0.786SS**  trans-69.985.6163.4-125.173.9000108V284 S288V284-L286 PolarHBondContact O-N 3.27Å; L286-S288 PolarHBondContact O-N 2.95Å
287E36.3Very low39.3Very low152 Ų152148.5 Ų148.571%0.7177%0.774SS**  trans-62.7110.8171.1-67.7-161.1149.800108.4K285 Q289K285-E287 PolarHBondContact O-N 3Å; E287-Q289 PolarHBondContact O-N 3.07Å
288S39.8Very low40Very low100 Ų100145.6 Ų145.670%0.69976%0.758SS**  trans-72.182-178.467.20000109.7L286 R290L286-S288 PolarHBondContact O-N 2.95Å; S288-R290 VanDerWaalsContact C-N 3.28Å; S288-R290 PolarHBondContact O-N 2.87Å
289Q41.5Very low40.6Very low165 Ų165146.9 Ų146.977%0.77176%0.755SS**  trans-61.795.2168.5-68.5-166.8300108E287 T291E287-Q289 PolarHBondContact O-N 3.07Å; Q289-T291 PolarHBondContact O-N 3.42Å
290R35.1Very low41.6Very low229 Ų229142.3 Ų142.386%0.86474%0.742SS**  trans-66.686.9170.6-69.3-179.9179.1175.3-0.7107.2S288 S292S288-R290 VanDerWaalsContact C-N 3.28Å; S288-R290 PolarHBondContact O-N 2.87Å; R290-S292 PolarHBondContact O-N 3.01Å
291T40.6Very low42.3Very low125 Ų125138 Ų13877%0.76773%0.725SS**  trans-58.6103.1171.139.80000107.7Q289 S293Q289-T291 PolarHBondContact O-N 3.42Å; T291-S293 PolarHBondContact O-N 3.39Å
292S43Very low42.7Very low94 Ų94137.4 Ų137.466%0.65772%0.721SS**  trans-49.6119.6174.3176.40000107.5R290 N294R290-S292 PolarHBondContact O-N 3.01Å; S292-N294 PolarHBondContact O-N 3.38Å; S292-N294 PolarHBondContact OG-OD1 3.15Å
293S45.7Very low43.4Very low114 Ų114139.2 Ų139.280%0.79773%0.725SS**  trans-75.268.1178.840.20000109T291 K295T291-S293 PolarHBondContact O-N 3.39Å; S293-K295 PolarHBondContact O-N 2.92Å
294N44.9Very low43.8Very low125 Ų125141.5 Ų141.567%0.66872%0.72SS**  trans-54.1106.5168.4-74.415.1000106.5S292 R296S292-N294 PolarHBondContact O-N 3.38Å; S292-N294 PolarHBondContact OG-OD1 3.15Å; N294-R296 PolarHBondContact O-N 2.76Å
295K43.4Very low44.4Very low181 Ų181142 Ų14279%0.78772%0.724SS**  trans-68.775.7-170.3-176.5-169.9172.7-167.40109.2S293 D297S293-K295 PolarHBondContact O-N 2.92Å; K295-D297 PolarHBondContact O-N 3.05Å
296R42Very low45.3Very low190 Ų190137.5 Ų137.572%0.71772%0.72SS**  trans-56.3127.5176.6-77.5-179.1169123.9-2.1108.7N294 Y298N294-R296 PolarHBondContact O-N 2.76Å; R296-Y298 HydrophobicContact CB-CD2 3.99Å; R296-Y298 HydrophobicContact CB-CE2 3.6Å; R296-Y298 WeakPolarHBondContact O-CD2 3.39Å; R296-Y298 PolarHBondContact O-N 2.83Å
297D44.8Very low46.6Very low121 Ų121135.7 Ų135.765%0.64772%0.715SS**  trans-7766.2-174.6-65-64.3000112.8K295 L299 S300K295-D297 PolarHBondContact O-N 3.05Å; D297-L299 PolarHBondContact O-N 3.5Å; D297-S300 PolarHBondContact O-N 3.08Å; D297-S300 PolarHBondContact O-OG 2.89Å
298Y48.1Very low48Very low153 Ų153133.7 Ų133.760%0.671%0.713SS**THydrogen-bonded Turntrans-57.5-12.6172.5-71.3-73.3000113.6R296 S300 V301 L302R296-Y298 HydrophobicContact CB-CD2 3.99Å; R296-Y298 HydrophobicContact CB-CE2 3.6Å; R296-Y298 WeakPolarHBondContact O-CD2 3.39Å; R296-Y298 PolarHBondContact O-N 2.83Å; Y298-S300 PolarHBondContact O-N 2.95Å; Y298-V301 PolarHBondContact O-N 3.42Å; Y298-V301 VanDerWaalsContact O-N 3.11Å; Y298-L302 PolarHBondContact O-N 2.82Å
299L47.6Very low49.2Very low138 Ų138134.2 Ų134.272%0.72371%0.708SS**Hα-helixtrans-59.7-33.1174.9-147.674.9000112.6D297 V301D297-L299 PolarHBondContact O-N 3.5Å; L299-V301 VanDerWaalsContact C-N 3.34Å
300S53.1Low50.6Low88 Ų88130.3 Ų130.362%0.61570%0.696SS**Hα-helixtrans-70.8-27.6175.961.90000113.5D297 Y298D297-S300 PolarHBondContact O-N 3.08Å; D297-S300 PolarHBondContact O-OG 2.89Å; Y298-S300 PolarHBondContact O-N 2.95Å
301V49.7Very low53.1Low89 Ų89124.3 Ų124.354%0.53968%0.681SS.*Hα-helixtrans-80.8-31.3-177.9-176.60000111.3Y298 L299 N303 K304Y298-V301 PolarHBondContact O-N 3.42Å; Y298-V301 VanDerWaalsContact O-N 3.11Å; L299-V301 VanDerWaalsContact C-N 3.34Å; V301-N303 PolarHBondContact O-N 3.31Å; V301-K304 PolarHBondContact O-N 3.04Å; V301-K304 VanDerWaalsContact O-N 3.12Å
302L48.3Very low55.3Low135 Ų135120.6 Ų120.671%0.70766%0.662SS**Hα-helixtrans-62.6-25.6-178.8-80.2165000114.4Y298 K304Y298-L302 PolarHBondContact O-N 2.82Å; L302-K304 VanDerWaalsContact C-N 3.28Å; L302-K304 PolarHBondContact O-N 3.11Å
303N53.3Low57.5Low147 Ų147119.9 Ų119.979%0.78665%0.654SS**THydrogen-bonded Turntrans-78.6-9177.8-73.31.6000113.6V301 T305V301-N303 PolarHBondContact O-N 3.31Å; N303-T305 PolarHBondContact O-N 3.06Å
304K49.2Very low59.6Low167 Ų167116.7 Ų116.773%0.72663%0.631SS**SBendtrans-79.6105.5163.9-68.3-174.2178.4-176.80107.6V301 L302 A306V301-K304 PolarHBondContact O-N 3.04Å; V301-K304 VanDerWaalsContact O-N 3.12Å; L302-K304 VanDerWaalsContact C-N 3.28Å; L302-K304 PolarHBondContact O-N 3.11Å; K304-A306 PolarHBondContact O-N 2.86Å
305T53.4Low61.8Low129 Ų129111.3 Ų111.379%0.79160%0.603SS**  trans-54.599.9169.449.20000108.7N303 V307N303-T305 PolarHBondContact O-N 3.06Å; T305-V307 PolarHBondContact O-N 3.2Å
306A54.8Low64.1Low84 Ų84107 Ų10769%0.69459%0.588SS**  trans-61.6112.6-174.300000108.7K304 V308K304-A306 PolarHBondContact O-N 2.86Å; A306-V308 WeakPolarHBondContact O-CG2 3.41Å; A306-V308 PolarHBondContact O-N 3.34Å
307V63.8Low66.6Low124 Ų124106.7 Ų106.775%0.75259%0.586SS**  trans-6798.9179.8179.90000107.3T305 N309T305-V307 PolarHBondContact O-N 3.2Å; V307-N309 PolarHBondContact O-N 3.41Å
308V65.3Low68.8Low109 Ų109103.1 Ų103.166%0.66157%0.566SS**  trans-7293.9179.9-1790000107.6A306 T310A306-V308 WeakPolarHBondContact O-CG2 3.41Å; A306-V308 PolarHBondContact O-N 3.34Å; V308-T310 PolarHBondContact O-N 3.43Å
309N65.9Low71Confident111 Ų11199.8 Ų99.859%0.59455%0.552SS**  trans-51.5114177.6-77.7-2000110.2V307 N311V307-N309 PolarHBondContact O-N 3.41Å; N309-N311 PolarHBondContact O-N 3.09Å
310T71.7Confident73.3Confident84 Ų8499.3 Ų99.352%0.51555%0.545SS..  trans-78.454.3-177.550.80000111.2V308 I315V308-T310 PolarHBondContact O-N 3.43Å; T310-I315 WeakPolarHBondContact O-CD1 3.42Å
311N86.1Confident75.2Confident103 Ų10399.2 Ų99.255%0.55154%0.536SS*.  trans-56.2146.7170.4-69.84.8000109.4N309 V313 S314 I315N309-N311 PolarHBondContact O-N 3.09Å; N311-V313 PolarHBondContact O-N 2.93Å; N311-V313 VanDerWaalsContact O-N 3.08Å; N311-S314 WeakPolarHBondContact O-CA 3.33Å; N311-S314 VanDerWaalsContact O-CB 3.27Å; N311-S314 WeakPolarHBondContact O-CB 3.22Å; N311-S314 PolarHBondContact O-N 3.43Å; N311-I315 PolarHBondContact O-N 3.15Å; N311-I315 VanDerWaalsContact O-N 3.11Å
312A87.8Confident77.3Confident46 Ų4695.9 Ų95.938%0.3851%0.514SS..Hα-helixtrans-50.2-39.2179.300000113.1S314 I315 L316 L550A312-S314 PolarHBondContact O-N 3.1Å; A312-I315 PolarHBondContact O-N 3.08Å; A312-L316 WeakPolarHBondContact O-CB 3.35Å; A312-L316 WeakPolarHBondContact O-CG 3.42Å; A312-L316 PolarHBondContact O-N 2.94Å; A312-L550 HydrophobicContact CB-CD1 3.68Å; A312-L550 HydrophobicContact CB-CD2 3.85Å; A312-L550 HydrophobicContact CB-CG 4.44Å
313V89.1Confident79.5Confident79 Ų7990.6 Ų90.648%0.47949%0.489SS..Hα-helixtrans-63.2-37.7175.7179.60000112.4N311 R317N311-V313 PolarHBondContact O-N 2.93Å; N311-V313 VanDerWaalsContact O-N 3.08Å; V313-R317 HydrophobicContact CG1-CG 4.47Å; V313-R317 VanDerWaalsContact O-CB 3.32Å; V313-R317 WeakPolarHBondContact O-CB 3.4Å; V313-R317 WeakPolarHBondContact O-CD 3.39Å; V313-R317 WeakPolarHBondContact O-CG 3.4Å; V313-R317 PolarHBondContact O-N 2.67Å
314S89Confident81.5Confident47 Ų4786.1 Ų86.133%0.32947%0.465SS..Hα-helixtrans-66.5-44.7175.7-52.40000111N311 A312 R317 E318N311-S314 WeakPolarHBondContact O-CA 3.33Å; N311-S314 VanDerWaalsContact O-CB 3.27Å; N311-S314 WeakPolarHBondContact O-CB 3.22Å; N311-S314 PolarHBondContact O-N 3.43Å; A312-S314 PolarHBondContact O-N 3.1Å; S314-R317 PolarHBondContact O-N 2.82Å; S314-E318 WeakPolarHBondContact O-CB 3.45Å; S314-E318 PolarHBondContact O-N 3.5Å
315I91Very high83.7Confident13 Ų1383 Ų837%0.06745%0.448CS..Hα-helixtrans-60.1-51.8177.4-62.5171.9000110T310 N311 A312 R317 E318 W319 L550 L553 L554 I557T310-I315 WeakPolarHBondContact O-CD1 3.42Å; N311-I315 PolarHBondContact O-N 3.15Å; N311-I315 VanDerWaalsContact O-N 3.11Å; A312-I315 PolarHBondContact O-N 3.08Å; I315-R317 PolarHBondContact O-N 2.99Å; I315-E318 PolarHBondContact O-N 2.97Å; I315-W319 WeakPolarHBondContact O-CB 3.44Å; I315-W319 PolarHBondContact O-N 2.86Å; I315-L550 HydrophobicContact CB-CD2 4.21Å; I315-L550 HydrophobicContact CD1-CD2 4.22Å; I315-L550 HydrophobicContact CG2-CD2 4.06Å; I315-L553 HydrophobicContact CG2-CB 3.92Å; I315-L553 HydrophobicContact CG2-CD1 4.49Å; I315-L554 HydrophobicContact CD1-CD1 3.8Å; I315-L554 HydrophobicContact CG1-CD1 3.96Å; I315-I557 HydrophobicContact CG2-CD1 3.81Å; I315-I557 WeakPolarHBondContact O-CD1 3.45Å
316L92.5Very high85.5Confident89 Ų8979.2 Ų79.247%0.46642%0.422SS..Hα-helixtrans-62.9-38.9-179.9-71165.8000112.8A312 K320 L553A312-L316 WeakPolarHBondContact O-CB 3.35Å; A312-L316 WeakPolarHBondContact O-CG 3.42Å; A312-L316 PolarHBondContact O-N 2.94Å; L316-K320 WeakPolarHBondContact O-CB 3.46Å; L316-K320 PolarHBondContact O-N 3.26Å; L316-L553 HydrophobicContact CD2-CD1 3.71Å
317R93.1Very high87.4Confident184 Ų18480.9 Ų80.969%0.69441%0.41SS*.Hα-helixtrans-65.7-44.5175.3-76172.1-178.7177.62.4112.2V313 S314 I315 L321V313-R317 HydrophobicContact CG1-CG 4.47Å; V313-R317 VanDerWaalsContact O-CB 3.32Å; V313-R317 WeakPolarHBondContact O-CB 3.4Å; V313-R317 WeakPolarHBondContact O-CD 3.39Å; V313-R317 WeakPolarHBondContact O-CG 3.4Å; V313-R317 PolarHBondContact O-N 2.67Å; S314-R317 PolarHBondContact O-N 2.82Å; I315-R317 PolarHBondContact O-N 2.99Å; R317-L321 PolarHBondContact O-N 3.46Å; R317-L321 VanDerWaalsContact O-N 3.12Å
318E92.5Very high88.8Confident47 Ų4779.5 Ų79.522%0.2240%0.396CS..Hα-helixtrans-68.9-41.8178.6-178.2172.1-174.500111.7S314 I315 L321 Y322 I557 R561S314-E318 WeakPolarHBondContact O-CB 3.45Å; S314-E318 PolarHBondContact O-N 3.5Å; I315-E318 PolarHBondContact O-N 2.97Å; E318-L321 WeakPolarHBondContact O-CB 3.44Å; E318-L321 PolarHBondContact O-N 2.7Å; E318-Y322 HydrophobicContact CG-CD2 3.87Å; E318-Y322 HydrophobicContact CG-CE2 3.35Å; E318-Y322 VanDerWaalsContact O-CD2 3.24Å; E318-Y322 WeakPolarHBondContact O-CD2 3.17Å; E318-Y322 PolarHBondContact O-N 2.82Å; E318-Y322 VanDerWaalsContact OE1-CE2 3.27Å; E318-Y322 WeakPolarHBondContact OE1-CE2 3.38Å; E318-Y322 PolarHBondContact OE1-OH 3.22Å; E318-Y322 VanDerWaalsContact OE1-OH 3.06Å; E318-I557 HydrophobicContact CB-CD1 4.24Å; E318-I557 HydrophobicContact CG-CD1 4.36Å; E318-I557 HydrophobicContact CG-CG1 4.3Å; E318-I557 HydrophobicContact CG-CG2 4.17Å; E318-R561 IonicContact OE1-CZ 3.69Å; E318-R561 IonicContact OE1-NE 2.91Å; E318-R561 PolarHBondContact OE1-NE 2.93Å; E318-R561 IonicContact OE1-NH2 2.91Å; E318-R561 IonicContact OE2-CZ 2.71Å; E318-R561 IonicContact OE2-NE 3.4Å; E318-R561 PolarHBondContact OE2-NE 2.98Å; E318-R561 IonicContact OE2-NH2 3.13Å; E318-R561 PolarHBondContact OE2-NH2 3Å
319W94.1Very high90Very high83 Ų8380.4 Ų80.431%0.31439%0.393SS..Hα-helixtrans-60.9-46174.117779.5000112I315 L321 Y322 S323 L553 I557I315-W319 WeakPolarHBondContact O-CB 3.44Å; I315-W319 PolarHBondContact O-N 2.86Å; W319-L321 VanDerWaalsContact C-N 3.28Å; W319-L321 PolarHBondContact O-N 3.36Å; W319-Y322 PolarHBondContact O-N 3.13Å; W319-Y322 VanDerWaalsContact O-N 3.11Å; W319-S323 WeakPolarHBondContact O-CB 3.39Å; W319-S323 PolarHBondContact O-N 3.08Å; W319-L553 HydrophobicContact CB-CD2 4.44Å; W319-L553 HydrophobicContact CD2-CD2 3.79Å; W319-L553 HydrophobicContact CG-CD2 3.7Å; W319-L553 HydrophobicContact CZ2-CD2 4.49Å; W319-I557 HydrophobicContact CB-CD1 4.07Å; W319-I557 HydrophobicContact CB-CG1 4.19Å
320K95.4Very high91.2Very high128 Ų12883.5 Ų83.556%0.55740%0.396SS*.Hα-helixtrans-56.2-45.4175.8177.2165-177.9169.60111.2L316 Y322 S323 D324L316-K320 WeakPolarHBondContact O-CB 3.46Å; L316-K320 PolarHBondContact O-N 3.26Å; K320-Y322 VanDerWaalsContact C-N 3.31Å; K320-Y322 PolarHBondContact O-N 2.77Å; K320-S323 PolarHBondContact O-N 3.34Å; K320-D324 WeakPolarHBondContact CE-OD2 3.32Å; K320-D324 WeakPolarHBondContact CG-OD2 3.2Å; K320-D324 WeakPolarHBondContact O-CB 3.28Å; K320-D324 PolarHBondContact O-N 2.92Å
321L93.5Very high92.1Very high85 Ų8584.5 Ų84.545%0.44540%0.395SS..Hα-helixtrans-60.7-37.4178.3-145-176.4000112.3R317 E318 W319 R325R317-L321 PolarHBondContact O-N 3.46Å; R317-L321 VanDerWaalsContact O-N 3.12Å; E318-L321 WeakPolarHBondContact O-CB 3.44Å; E318-L321 PolarHBondContact O-N 2.7Å; W319-L321 VanDerWaalsContact C-N 3.28Å; W319-L321 PolarHBondContact O-N 3.36Å; L321-R325 HydrophobicContact CD2-CG 4.44Å; L321-R325 WeakPolarHBondContact O-CG 3.4Å; L321-R325 PolarHBondContact O-N 2.91Å
322Y94.1Very high92.1Very high19 Ų1984.3 Ų84.38%0.07539%0.389CS..Hα-helixtrans-74.3-39.5172.8-67.3-58.6000113.1E318 W319 K320 D324 R325 E326 I557 H560E318-Y322 HydrophobicContact CG-CD2 3.87Å; E318-Y322 HydrophobicContact CG-CE2 3.35Å; E318-Y322 VanDerWaalsContact O-CD2 3.24Å; E318-Y322 WeakPolarHBondContact O-CD2 3.17Å; E318-Y322 PolarHBondContact O-N 2.82Å; E318-Y322 VanDerWaalsContact OE1-CE2 3.27Å; E318-Y322 WeakPolarHBondContact OE1-CE2 3.38Å; E318-Y322 PolarHBondContact OE1-OH 3.22Å; E318-Y322 VanDerWaalsContact OE1-OH 3.06Å; W319-Y322 PolarHBondContact O-N 3.13Å; W319-Y322 VanDerWaalsContact O-N 3.11Å; K320-Y322 VanDerWaalsContact C-N 3.31Å; K320-Y322 PolarHBondContact O-N 2.77Å; Y322-D324 VanDerWaalsContact C-N 3.28Å; Y322-D324 PolarHBondContact O-N 3.05Å; Y322-R325 VanDerWaalsContact CD1-NH1 3.35Å; Y322-R325 CarbonylContact O-C 3.59Å; Y322-R325 PolarHBondContact O-N 3.44Å; Y322-R325 VanDerWaalsContact O-N 3.15Å; Y322-E326 WeakPolarHBondContact O-CG 3.49Å; Y322-E326 PolarHBondContact O-N 3.48Å; Y322-I557 HydrophobicContact CD2-CG1 4.29Å; Y322-I557 HydrophobicContact CE2-CG1 4.48Å; Y322-I557 HydrophobicContact CE2-CG2 4.26Å; Y322-H560 VanDerWaalsContact CB-CD2 3.48Å; Y322-H560 WeakPolarHBondContact CB-CD2 3.47Å; Y322-H560 HydrophobicContact CD1-CB 3.45Å; Y322-H560 VanDerWaalsContact CD1-CB 3.45Å; Y322-H560 AromaticContact CD1-CG 3.73Å; Y322-H560 HydrophobicContact CD2-CB 3.74Å; Y322-H560 AromaticContact CD2-CD2 3.81Å; Y322-H560 AromaticContact CD2-CG 3.97Å; Y322-H560 HydrophobicContact CE1-CB 3.53Å; Y322-H560 HydrophobicContact CE2-CB 3.77Å; Y322-H560 HydrophobicContact CG-CB 3.6Å; Y322-H560 AromaticContact CG-CD2 3.6Å; Y322-H560 AromaticContact CG-CG 3.57Å
323S94.4Very high92Very high24 Ų2486.8 Ų86.817%0.16840%0.395CS..Hα-helixtrans-59.3-39.5174.7-178.10000111.9W319 K320 E326 R327W319-S323 WeakPolarHBondContact O-CB 3.39Å; W319-S323 PolarHBondContact O-N 3.08Å; K320-S323 PolarHBondContact O-N 3.34Å; S323-E326 PolarHBondContact O-N 2.9Å; S323-R327 PolarHBondContact O-N 2.99Å; S323-R327 PolarHBondContact OG-NH2 2.8Å
324D95.8Very high92Very high53 Ų5386.4 Ų86.428%0.28340%0.396SS..Hα-helixtrans-68.1-39.2175.7-64.7-23.7000111.3K320 Y322 R327 E328K320-D324 WeakPolarHBondContact CE-OD2 3.32Å; K320-D324 WeakPolarHBondContact CG-OD2 3.2Å; K320-D324 WeakPolarHBondContact O-CB 3.28Å; K320-D324 PolarHBondContact O-N 2.92Å; Y322-D324 VanDerWaalsContact C-N 3.28Å; Y322-D324 PolarHBondContact O-N 3.05Å; D324-R327 WeakPolarHBondContact O-CB 3.34Å; D324-R327 PolarHBondContact O-N 3.05Å; D324-R327 IonicContact OD1-CZ 3.27Å; D324-R327 IonicContact OD1-NH1 2.71Å; D324-R327 PolarHBondContact OD1-NH1 3.11Å; D324-R327 IonicContact OD1-NH2 2.69Å; D324-R327 PolarHBondContact OD1-NH2 3.33Å; D324-R327 VanDerWaalsContact OD1-NH2 3.13Å; D324-E328 PolarHBondContact O-N 3.06Å
325R93.4Very high91.7Very high102 Ų10289.1 Ų89.139%0.38540%0.403SS..Hα-helixtrans-67.4-39.1170.8-72.2-174.6-168.4120.80.6113.7L321 Y322 R327 E328 Q329L321-R325 HydrophobicContact CD2-CG 4.44Å; L321-R325 WeakPolarHBondContact O-CG 3.4Å; L321-R325 PolarHBondContact O-N 2.91Å; Y322-R325 VanDerWaalsContact CD1-NH1 3.35Å; Y322-R325 CarbonylContact O-C 3.59Å; Y322-R325 PolarHBondContact O-N 3.44Å; Y322-R325 VanDerWaalsContact O-N 3.15Å; R325-R327 PolarHBondContact O-N 3.03Å; R325-E328 PolarHBondContact O-N 2.96Å; R325-Q329 WeakPolarHBondContact O-CB 3.23Å; R325-Q329 WeakPolarHBondContact O-CG 3.49Å; R325-Q329 PolarHBondContact O-N 2.85Å
326E91.7Very high91.3Very high49 Ų4993.1 Ų93.123%0.22942%0.424CS..Hα-helixtrans-60.1-37.8174.1-76.5-172.7134.200110.1Y322 S323 R330 R556 H560Y322-E326 WeakPolarHBondContact O-CG 3.49Å; Y322-E326 PolarHBondContact O-N 3.48Å; S323-E326 PolarHBondContact O-N 2.9Å; E326-R330 WeakPolarHBondContact O-CB 3.44Å; E326-R330 VanDerWaalsContact O-CG 3.25Å; E326-R330 WeakPolarHBondContact O-CG 3.42Å; E326-R330 PolarHBondContact O-N 3.18Å; E326-R556 IonicContact OE1-CZ 3.59Å; E326-R556 IonicContact OE1-NE 3.58Å; E326-R556 IonicContact OE1-NH2 2.81Å; E326-R556 PolarHBondContact OE1-NH2 3.01Å; E326-R556 IonicContact OE2-CZ 3.91Å; E326-R556 IonicContact OE2-NE 2.78Å; E326-R556 IonicContact OE2-NH2 3.74Å; E326-R556 PolarHBondContact OE2-NH2 3.49Å; E326-H560 IonicContact OE1-CE1 3.57Å; E326-H560 PolarHBondContact OE1-CE1 3.27Å; E326-H560 VanDerWaalsContact OE1-CE1 3.27Å; E326-H560 IonicContact OE1-NE2 2.84Å
327R95.8Very high91Very high119 Ų11996.2 Ų96.245%0.44944%0.436SS..Hα-helixtrans-67.3-47.7175.1-159.8178.9-50100.911.9112.1S323 D324 R325 Q329 R330 Q331S323-R327 PolarHBondContact O-N 2.99Å; S323-R327 PolarHBondContact OG-NH2 2.8Å; D324-R327 WeakPolarHBondContact O-CB 3.34Å; D324-R327 PolarHBondContact O-N 3.05Å; D324-R327 IonicContact OD1-CZ 3.27Å; D324-R327 IonicContact OD1-NH1 2.71Å; D324-R327 PolarHBondContact OD1-NH1 3.11Å; D324-R327 IonicContact OD1-NH2 2.69Å; D324-R327 PolarHBondContact OD1-NH2 3.33Å; D324-R327 VanDerWaalsContact OD1-NH2 3.13Å; R325-R327 PolarHBondContact O-N 3.03Å; R327-Q329 VanDerWaalsContact C-N 3.3Å; R327-Q329 PolarHBondContact O-N 2.94Å; R327-R330 PolarHBondContact O-N 3.01Å; R327-Q331 WeakPolarHBondContact O-CB 3.42Å; R327-Q331 WeakPolarHBondContact O-CG 3.47Å; R327-Q331 PolarHBondContact O-N 3.3Å; R327-Q331 PolarHBondContact O-OE1 3.46Å
328E93.1Very high90.7Very high96 Ų9692.2 Ų92.245%0.44944%0.437SS..Hα-helixtrans-58.2-41.1173.6-77.8-173.7-139.700112.7D324 R325 Q331 K332D324-E328 PolarHBondContact O-N 3.06Å; R325-E328 PolarHBondContact O-N 2.96Å; E328-Q331 PolarHBondContact O-N 3.4Å; E328-K332 WeakPolarHBondContact O-CD 3.49Å; E328-K332 VanDerWaalsContact O-CG 3.31Å; E328-K332 WeakPolarHBondContact O-CG 3.28Å; E328-K332 PolarHBondContact O-N 3.01Å; E328-K332 IonicContact OE2-NZ 3.69Å; E328-K332 PolarHBondContact OE2-NZ 3.41Å
329Q89.1Confident90Very high128 Ų12893 Ų9360%0.59846%0.457SS*.Hα-helixtrans-70.4-40.1179.5-74.8-175.4-53.400111.4R325 R327 K332 L333R325-Q329 WeakPolarHBondContact O-CB 3.23Å; R325-Q329 WeakPolarHBondContact O-CG 3.49Å; R325-Q329 PolarHBondContact O-N 2.85Å; R327-Q329 VanDerWaalsContact C-N 3.3Å; R327-Q329 PolarHBondContact O-N 2.94Å; Q329-K332 PolarHBondContact O-N 2.73Å; Q329-L333 VanDerWaalsContact O-CG 3.3Å; Q329-L333 WeakPolarHBondContact O-CG 3.37Å; Q329-L333 PolarHBondContact O-N 2.78Å
330R92.7Very high89Confident175 Ų17591.2 Ų91.266%0.6646%0.46SS*.Hα-helixtrans-61.6-43.8171.7-77.4173.2173.1-152.1-5.3111.8E326 R327 K332 L333 C334E326-R330 WeakPolarHBondContact O-CB 3.44Å; E326-R330 VanDerWaalsContact O-CG 3.25Å; E326-R330 WeakPolarHBondContact O-CG 3.42Å; E326-R330 PolarHBondContact O-N 3.18Å; R327-R330 PolarHBondContact O-N 3.01Å; R330-K332 PolarHBondContact O-N 3.35Å; R330-L333 PolarHBondContact O-N 3.27Å; R330-C334 PolarHBondContact O-N 3.01Å; R330-C334 PolarHBondContact O-SG 2.92Å
331Q90.3Very high87.9Confident105 Ų10593.2 Ų93.249%0.49147%0.469SS..Hα-helixtrans-58.9-47.8175.7-74.9170-43.300111.4R327 E328 L333 C334 E335R327-Q331 WeakPolarHBondContact O-CB 3.42Å; R327-Q331 WeakPolarHBondContact O-CG 3.47Å; R327-Q331 PolarHBondContact O-N 3.3Å; R327-Q331 PolarHBondContact O-OE1 3.46Å; E328-Q331 PolarHBondContact O-N 3.4Å; Q331-L333 VanDerWaalsContact C-N 3.29Å; Q331-L333 PolarHBondContact O-N 3.45Å; Q331-C334 PolarHBondContact O-N 2.73Å; Q331-E335 WeakPolarHBondContact O-CB 3.49Å; Q331-E335 VanDerWaalsContact O-CG 3.3Å; Q331-E335 WeakPolarHBondContact O-CG 3.48Å; Q331-E335 PolarHBondContact O-N 2.81Å
332K85.4Confident86.9Confident99 Ų9993.2 Ų93.243%0.4347%0.473SS..Hα-helixtrans-63.5-31.4176.3-71.3159.5-171.8156.90113.4E328 Q329 R330 L336E328-K332 WeakPolarHBondContact O-CD 3.49Å; E328-K332 VanDerWaalsContact O-CG 3.31Å; E328-K332 WeakPolarHBondContact O-CG 3.28Å; E328-K332 PolarHBondContact O-N 3.01Å; E328-K332 IonicContact OE2-NZ 3.69Å; E328-K332 PolarHBondContact OE2-NZ 3.41Å; Q329-K332 PolarHBondContact O-N 2.73Å; R330-K332 PolarHBondContact O-N 3.35Å; K332-L336 WeakPolarHBondContact O-CD1 3.09Å; K332-L336 VanDerWaalsContact O-CG 3.25Å; K332-L336 WeakPolarHBondContact O-CG 3.37Å; K332-L336 PolarHBondContact O-N 3.04Å; K332-L336 VanDerWaalsContact O-N 3.13Å
333L86.2Confident86.1Confident98 Ų9897.3 Ų97.351%0.51350%0.496SS..Hα-helixtrans-70.7-46.3172.7-72.6167.7000111.1Q329 R330 Q331 E335 L336 E337Q329-L333 VanDerWaalsContact O-CG 3.3Å; Q329-L333 WeakPolarHBondContact O-CG 3.37Å; Q329-L333 PolarHBondContact O-N 2.78Å; R330-L333 PolarHBondContact O-N 3.27Å; Q331-L333 VanDerWaalsContact C-N 3.29Å; Q331-L333 PolarHBondContact O-N 3.45Å; L333-E335 VanDerWaalsContact C-N 3.31Å; L333-E335 PolarHBondContact O-N 2.91Å; L333-L336 CarbonylContact O-C 3.57Å; L333-L336 PolarHBondContact O-N 2.98Å; L333-L336 VanDerWaalsContact O-N 3.11Å; L333-E337 WeakPolarHBondContact O-CB 3.3Å; L333-E337 VanDerWaalsContact O-CG 3.26Å; L333-E337 WeakPolarHBondContact O-CG 3.35Å; L333-E337 PolarHBondContact O-N 2.99Å
334C88Confident85.4Confident72 Ų7298.9 Ų98.949%0.48651%0.51SS..Hα-helixtrans-62.4-35.4174.7-65.30000113R330 Q331 E337 S338R330-C334 PolarHBondContact O-N 3.01Å; R330-C334 PolarHBondContact O-SG 2.92Å; Q331-C334 PolarHBondContact O-N 2.73Å; C334-E337 WeakPolarHBondContact CA-OE2 3.45Å; C334-E337 PolarHBondContact O-N 3.14Å; C334-S338 WeakPolarHBondContact O-CB 3.4Å; C334-S338 PolarHBondContact O-N 3.47Å; C334-S338 PolarHBondContact O-OG 2.97Å
335E83.9Confident84.6Confident104 Ų10499.8 Ų99.849%0.48653%0.525SS..Hα-helixtrans-60.6-48170.5-74.2163.8-169.500110.8Q331 L333 S338 G339 A340Q331-E335 WeakPolarHBondContact O-CB 3.49Å; Q331-E335 VanDerWaalsContact O-CG 3.3Å; Q331-E335 WeakPolarHBondContact O-CG 3.48Å; Q331-E335 PolarHBondContact O-N 2.81Å; L333-E335 VanDerWaalsContact C-N 3.31Å; L333-E335 PolarHBondContact O-N 2.91Å; E335-S338 WeakPolarHBondContact CA-OG 3.46Å; E335-S338 PolarHBondContact O-N 2.92Å; E335-S338 PolarHBondContact O-OG 3.34Å; E335-G339 PolarHBondContact O-N 3.28Å; E335-A340 HydrophobicContact CB-CB 4.03Å; E335-A340 WeakPolarHBondContact O-CB 3.28Å; E335-A340 PolarHBondContact O-N 3.45Å
336L83.3Confident84.2Confident97 Ų97101.2 Ų101.251%0.50853%0.531SS..Hα-helixtrans-65.7-39.4176.5-70.2165.4000112.8K332 L333 S338 G339K332-L336 WeakPolarHBondContact O-CD1 3.09Å; K332-L336 VanDerWaalsContact O-CG 3.25Å; K332-L336 WeakPolarHBondContact O-CG 3.37Å; K332-L336 PolarHBondContact O-N 3.04Å; K332-L336 VanDerWaalsContact O-N 3.13Å; L333-L336 CarbonylContact O-C 3.57Å; L333-L336 PolarHBondContact O-N 2.98Å; L333-L336 VanDerWaalsContact O-N 3.11Å; L336-S338 VanDerWaalsContact C-N 3.26Å; L336-S338 PolarHBondContact O-N 3.48Å; L336-G339 PolarHBondContact O-N 3.37Å
337E85.1Confident83.8Confident153 Ų153102.6 Ų102.672%0.71554%0.54SS*.Hα-helixtrans-62.1-33.7173.5-72.3163.3175.400111.6L333 C334 G339L333-E337 WeakPolarHBondContact O-CB 3.3Å; L333-E337 VanDerWaalsContact O-CG 3.26Å; L333-E337 WeakPolarHBondContact O-CG 3.35Å; L333-E337 PolarHBondContact O-N 2.99Å; C334-E337 WeakPolarHBondContact CA-OE2 3.45Å; C334-E337 PolarHBondContact O-N 3.14Å; E337-G339 VanDerWaalsContact C-N 3.25Å; E337-G339 PolarHBondContact O-N 3.48Å
338S86.1Confident83.1Confident101 Ų101100 Ų10071%0.70654%0.54SS*.THydrogen-bonded Turntrans-78.2-1.1172.273.70000114.7C334 E335 L336C334-S338 WeakPolarHBondContact O-CB 3.4Å; C334-S338 PolarHBondContact O-N 3.47Å; C334-S338 PolarHBondContact O-OG 2.97Å; E335-S338 WeakPolarHBondContact CA-OG 3.46Å; E335-S338 PolarHBondContact O-N 2.92Å; E335-S338 PolarHBondContact O-OG 3.34Å; L336-S338 VanDerWaalsContact C-N 3.26Å; L336-S338 PolarHBondContact O-N 3.48Å
339G77.9Confident82.8Confident64 Ų64101.8 Ų101.866%0.6654%0.543SS*.THydrogen-bonded Turntrans92.520.6177.600000115.8E335 L336 E337 F341E335-G339 PolarHBondContact O-N 3.28Å; L336-G339 PolarHBondContact O-N 3.37Å; E337-G339 VanDerWaalsContact C-N 3.25Å; E337-G339 PolarHBondContact O-N 3.48Å; G339-F341 PolarHBondContact O-N 2.93Å
340A74.2Confident82.8Confident45 Ų4599.9 Ų99.937%0.37253%0.533SS..PPolyproline II helixtrans-61.3132.9177.900000113E335E335-A340 HydrophobicContact CB-CB 4.03Å; E335-A340 WeakPolarHBondContact O-CB 3.28Å; E335-A340 PolarHBondContact O-N 3.45Å
341F71.1Confident82.2Confident169 Ų16997.8 Ų97.874%0.74153%0.531SS*.PPolyproline II helixtrans-81.4147.4-177.2-176.8-103.1000113.5G339G339-F341 PolarHBondContact O-N 2.93Å
342T72.2Confident81.9Confident85 Ų8598.2 Ų98.252%0.52153%0.533SS..PPolyproline II helixtrans-87.3116.2178.856.60000112.5A344T342-A344 PolarHBondContact O-N 3.25Å
343N77.7Confident81.9Confident105 Ų10596.7 Ų96.756%0.56153%0.527SS*.THydrogen-bonded Turntrans-67.723.5177.6-69.1-26.9000115.4N347N343-N347 VanDerWaalsContact O-CG 3.29Å; N343-N347 PolarHBondContact O-N 3.01Å; N343-N347 PolarHBondContact O-ND2 3.26Å; N343-N347 VanDerWaalsContact O-ND2 3.1Å
344A80.4Confident81.8Confident57 Ų5795.6 Ų95.647%0.47152%0.519SS..Hα-helixtrans-61-52.9-176.600000112.3T342 Y346 N347 S348T342-A344 PolarHBondContact O-N 3.25Å; A344-Y346 VanDerWaalsContact C-N 3.33Å; A344-Y346 PolarHBondContact O-N 2.82Å; A344-N347 WeakPolarHBondContact O-CB 3.48Å; A344-N347 PolarHBondContact O-N 3Å; A344-S348 PolarHBondContact O-N 3.36Å; A344-S348 PolarHBondContact O-OG 2.88Å
345A79.9Confident81.5Confident72 Ų7297.2 Ų97.260%0.59552%0.521SS*.Hα-helixtrans-59.8-40.6-179.700000112.7S348 W349A345-S348 PolarHBondContact O-N 3.28Å; A345-W349 WeakPolarHBondContact O-CB 3.46Å; A345-W349 PolarHBondContact O-N 3Å
346Y83.4Confident81.6Confident132 Ų13296.2 Ų96.252%0.51852%0.515SS..Hα-helixtrans-62-41.7174173-98.4000112.2A344 W349 K350A344-Y346 VanDerWaalsContact C-N 3.33Å; A344-Y346 PolarHBondContact O-N 2.82Å; Y346-W349 AromaticContact CD2-CE3 4Å; Y346-W349 HydrophobicContact CD2-CE3 4Å; Y346-W349 HydrophobicContact CD2-CZ3 4.17Å; Y346-W349 HydrophobicContact CE2-CE3 4Å; Y346-W349 AromaticContact CE2-CZ3 3.72Å; Y346-W349 HydrophobicContact CE2-CZ3 3.72Å; Y346-K350 HydrophobicContact CE1-CD 4.4Å; Y346-K350 VanDerWaalsContact O-CB 3.22Å; Y346-K350 WeakPolarHBondContact O-CB 3.4Å; Y346-K350 PolarHBondContact O-N 2.87Å
347N84.4Confident81.7Confident78 Ų7895.5 Ų95.542%0.41751%0.511SS..Hα-helixtrans-67-39.6177.7-72.7-35.3000112.3N343 A344 K350 Q351N343-N347 VanDerWaalsContact O-CG 3.29Å; N343-N347 PolarHBondContact O-N 3.01Å; N343-N347 PolarHBondContact O-ND2 3.26Å; N343-N347 VanDerWaalsContact O-ND2 3.1Å; A344-N347 WeakPolarHBondContact O-CB 3.48Å; A344-N347 PolarHBondContact O-N 3Å; N347-K350 PolarHBondContact O-N 3.37Å; N347-Q351 VanDerWaalsContact O-CG 3.3Å; N347-Q351 WeakPolarHBondContact O-CG 3.38Å; N347-Q351 PolarHBondContact O-N 3.06Å
348S79.9Confident81.6Confident64 Ų6492.5 Ų92.545%0.44850%0.496SS..Hα-helixtrans-63.7-51.5174.4-62.20000111.7A344 A345 K350 Q351 E352A344-S348 PolarHBondContact O-N 3.36Å; A344-S348 PolarHBondContact O-OG 2.88Å; A345-S348 PolarHBondContact O-N 3.28Å; S348-K350 VanDerWaalsContact C-N 3.28Å; S348-K350 PolarHBondContact O-N 3.26Å; S348-Q351 WeakPolarHBondContact O-CB 3.21Å; S348-Q351 PolarHBondContact O-N 3.07Å; S348-E352 PolarHBondContact O-N 3.45Å
349W88.3Confident81.5Confident134 Ų13490.4 Ų90.451%0.50848%0.476SS..Hα-helixtrans-54.4-44.2174.8167.378.8000112A345 Y346 Q351 E352 E353A345-W349 WeakPolarHBondContact O-CB 3.46Å; A345-W349 PolarHBondContact O-N 3Å; Y346-W349 AromaticContact CD2-CE3 4Å; Y346-W349 HydrophobicContact CD2-CE3 4Å; Y346-W349 HydrophobicContact CD2-CZ3 4.17Å; Y346-W349 HydrophobicContact CE2-CE3 4Å; Y346-W349 AromaticContact CE2-CZ3 3.72Å; Y346-W349 HydrophobicContact CE2-CZ3 3.72Å; W349-Q351 PolarHBondContact O-N 3.43Å; W349-E352 PolarHBondContact O-N 2.92Å; W349-E353 WeakPolarHBondContact O-CB 3.28Å; W349-E353 PolarHBondContact O-N 2.78Å
350K87.7Confident81.9Confident89 Ų8991.9 Ų91.939%0.38747%0.469SS..Hα-helixtrans-63-40177.5-179-177.8171.5-170.20112.1Y346 N347 S348 E353 E354Y346-K350 HydrophobicContact CE1-CD 4.4Å; Y346-K350 VanDerWaalsContact O-CB 3.22Å; Y346-K350 WeakPolarHBondContact O-CB 3.4Å; Y346-K350 PolarHBondContact O-N 2.87Å; N347-K350 PolarHBondContact O-N 3.37Å; S348-K350 VanDerWaalsContact C-N 3.28Å; S348-K350 PolarHBondContact O-N 3.26Å; K350-E353 PolarHBondContact O-N 3.43Å; K350-E354 VanDerWaalsContact CE-OE1 3.22Å; K350-E354 WeakPolarHBondContact CE-OE1 3.5Å; K350-E354 IonicContact NZ-OE1 3.87Å; K350-E354 WeakPolarHBondContact O-CB 3.4Å; K350-E354 WeakPolarHBondContact O-CG 3.22Å; K350-E354 PolarHBondContact O-N 3.29Å
351Q81Confident82.4Confident130 Ų13095 Ų9561%0.60748%0.476SS*.Hα-helixtrans-64.4-44.1176.5-74.2172.322.300111.4N347 S348 W349 E353 E354 M355N347-Q351 VanDerWaalsContact O-CG 3.3Å; N347-Q351 WeakPolarHBondContact O-CG 3.38Å; N347-Q351 PolarHBondContact O-N 3.06Å; S348-Q351 WeakPolarHBondContact O-CB 3.21Å; S348-Q351 PolarHBondContact O-N 3.07Å; W349-Q351 PolarHBondContact O-N 3.43Å; Q351-E353 PolarHBondContact O-N 3.48Å; Q351-E354 PolarHBondContact O-N 3Å; Q351-M355 WeakPolarHBondContact O-CG 3.43Å; Q351-M355 PolarHBondContact O-N 3.49Å
352E83.9Confident83.1Confident115 Ų11591.2 Ų91.254%0.53746%0.463SS..Hα-helixtrans-59-45.8173.4-68.6175.6-159.600112S348 W349 M355 K356S348-E352 PolarHBondContact O-N 3.45Å; W349-E352 PolarHBondContact O-N 2.92Å; E352-M355 WeakPolarHBondContact O-CB 3.42Å; E352-M355 PolarHBondContact O-N 3.13Å; E352-M355 VanDerWaalsContact O-N 3.14Å; E352-K356 WeakPolarHBondContact O-CG 3.46Å; E352-K356 PolarHBondContact O-N 2.99Å; E352-K356 IonicContact OE2-NZ 3.68Å
353E84.9Confident83.7Confident66 Ų6688.6 Ų88.631%0.30844%0.444SS..Hα-helixtrans-67.9-41-178.1-156.956.8-133.600111.9W349 K350 Q351 M355 K356 I357W349-E353 WeakPolarHBondContact O-CB 3.28Å; W349-E353 PolarHBondContact O-N 2.78Å; K350-E353 PolarHBondContact O-N 3.43Å; Q351-E353 PolarHBondContact O-N 3.48Å; E353-M355 VanDerWaalsContact C-N 3.26Å; E353-M355 PolarHBondContact O-N 3.21Å; E353-K356 PolarHBondContact O-N 2.84Å; E353-K356 VanDerWaalsContact OE2-CD 3.3Å; E353-K356 WeakPolarHBondContact OE2-CD 3.4Å; E353-K356 IonicContact OE2-NZ 3.48Å; E353-K356 PolarHBondContact OE2-NZ 3.02Å; E353-I357 HydrophobicContact CG-CD1 4.49Å; E353-I357 VanDerWaalsContact O-CG1 3.26Å; E353-I357 WeakPolarHBondContact O-CG1 3.4Å; E353-I357 PolarHBondContact O-N 3Å
354E84.4Confident84.3Confident75 Ų7589.2 Ų89.235%0.3544%0.444SS..Hα-helixtrans-58.1-37.5169.2-80.9-169.4-151.100112.6K350 Q351 I357 K358K350-E354 VanDerWaalsContact CE-OE1 3.22Å; K350-E354 WeakPolarHBondContact CE-OE1 3.5Å; K350-E354 IonicContact NZ-OE1 3.87Å; K350-E354 WeakPolarHBondContact O-CB 3.4Å; K350-E354 WeakPolarHBondContact O-CG 3.22Å; K350-E354 PolarHBondContact O-N 3.29Å; Q351-E354 PolarHBondContact O-N 3Å; E354-I357 PolarHBondContact O-N 3.36Å; E354-K358 WeakPolarHBondContact O-CB 3.26Å; E354-K358 WeakPolarHBondContact O-CD 3.39Å; E354-K358 WeakPolarHBondContact O-CG 3.49Å; E354-K358 PolarHBondContact O-N 3.19Å; E354-K358 IonicContact OE2-NZ 2.73Å; E354-K358 PolarHBondContact OE2-NZ 2.85Å
355M82.3Confident84.5Confident107 Ų10792.8 Ų92.853%0.52745%0.452SS..Hα-helixtrans-70.8-39.6177.8-70.3-70.5-83.300112.1Q351 E352 E353 K358 L359Q351-M355 WeakPolarHBondContact O-CG 3.43Å; Q351-M355 PolarHBondContact O-N 3.49Å; E352-M355 WeakPolarHBondContact O-CB 3.42Å; E352-M355 PolarHBondContact O-N 3.13Å; E352-M355 VanDerWaalsContact O-N 3.14Å; E353-M355 VanDerWaalsContact C-N 3.26Å; E353-M355 PolarHBondContact O-N 3.21Å; M355-K358 PolarHBondContact O-N 2.92Å; M355-K358 HydrophobicContact SD-CD 4.26Å; M355-L359 WeakPolarHBondContact O-CB 3.48Å; M355-L359 PolarHBondContact O-N 2.94Å
356K84.9Confident84.8Confident83 Ų8390.3 Ų90.336%0.36143%0.428SS..Hα-helixtrans-60.3-44171.1-65.6164.7-163.7139.50111.4E352 E353 L359 N360E352-K356 WeakPolarHBondContact O-CG 3.46Å; E352-K356 PolarHBondContact O-N 2.99Å; E352-K356 IonicContact OE2-NZ 3.68Å; E353-K356 PolarHBondContact O-N 2.84Å; E353-K356 VanDerWaalsContact OE2-CD 3.3Å; E353-K356 WeakPolarHBondContact OE2-CD 3.4Å; E353-K356 IonicContact OE2-NZ 3.48Å; E353-K356 PolarHBondContact OE2-NZ 3.02Å; K356-L359 PolarHBondContact O-N 3.2Å; K356-N360 WeakPolarHBondContact O-CB 3.25Å; K356-N360 PolarHBondContact O-N 3.43Å; K356-N360 PolarHBondContact O-ND2 3.28Å
357I85.7Confident85.1Confident82 Ų8288.5 Ų88.542%0.42142%0.421SS..Hα-helixtrans-61.2-48.2176.6-68.9164.3000110.8E353 E354 L359 N360 Q361E353-I357 HydrophobicContact CG-CD1 4.49Å; E353-I357 VanDerWaalsContact O-CG1 3.26Å; E353-I357 WeakPolarHBondContact O-CG1 3.4Å; E353-I357 PolarHBondContact O-N 3Å; E354-I357 PolarHBondContact O-N 3.36Å; I357-L359 VanDerWaalsContact C-N 3.35Å; I357-L359 PolarHBondContact O-N 3.1Å; I357-N360 PolarHBondContact O-N 3.12Å; I357-Q361 WeakPolarHBondContact O-CG 3.47Å; I357-Q361 PolarHBondContact O-N 3.38Å
358K82.4Confident85.4Confident90 Ų9088.5 Ų88.539%0.39142%0.421SS..Hα-helixtrans-59.5-42.9176.5-70157.4-163.3164.50111.5E354 M355 Q361 L362E354-K358 WeakPolarHBondContact O-CB 3.26Å; E354-K358 WeakPolarHBondContact O-CD 3.39Å; E354-K358 WeakPolarHBondContact O-CG 3.49Å; E354-K358 PolarHBondContact O-N 3.19Å; E354-K358 IonicContact OE2-NZ 2.73Å; E354-K358 PolarHBondContact OE2-NZ 2.85Å; M355-K358 PolarHBondContact O-N 2.92Å; M355-K358 HydrophobicContact SD-CD 4.26Å; K358-Q361 PolarHBondContact O-N 2.95Å; K358-L362 WeakPolarHBondContact O-CG 3.42Å; K358-L362 PolarHBondContact O-N 2.9Å
359L84.7Confident86Confident57 Ų5790.8 Ų90.830%0.29842%0.419SS..Hα-helixtrans-63.2-43.2176.1-179.260.6000112.4M355 K356 I357 L362 K363 V586 I591M355-L359 WeakPolarHBondContact O-CB 3.48Å; M355-L359 PolarHBondContact O-N 2.94Å; K356-L359 PolarHBondContact O-N 3.2Å; I357-L359 VanDerWaalsContact C-N 3.35Å; I357-L359 PolarHBondContact O-N 3.1Å; L359-L362 PolarHBondContact O-N 3.43Å; L359-K363 WeakPolarHBondContact O-CG 3.44Å; L359-K363 PolarHBondContact O-N 3.02Å; L359-V586 HydrophobicContact CD1-CG1 4.07Å; L359-I591 HydrophobicContact CD1-CG1 4.38Å
360N86.3Confident86.2Confident95 Ų9584.5 Ų84.551%0.50840%0.396SS..Hα-helixtrans-65.7-37.4177.7-74.9-25.8000112.2K356 I357 K363 Q364K356-N360 WeakPolarHBondContact O-CB 3.25Å; K356-N360 PolarHBondContact O-N 3.43Å; K356-N360 PolarHBondContact O-ND2 3.28Å; I357-N360 PolarHBondContact O-N 3.12Å; N360-K363 PolarHBondContact O-N 2.81Å; N360-Q364 WeakPolarHBondContact O-CB 3.3Å; N360-Q364 PolarHBondContact O-N 3.1Å
361Q85.7Confident86.5Confident109 Ų10984.2 Ų84.251%0.50940%0.398SS..Hα-helixtrans-62-43.8171.7-71.4172.2-4.300111.7I357 K358 Q364 M365I357-Q361 WeakPolarHBondContact O-CG 3.47Å; I357-Q361 PolarHBondContact O-N 3.38Å; K358-Q361 PolarHBondContact O-N 2.95Å; Q361-Q364 PolarHBondContact O-N 2.96Å; Q361-M365 VanDerWaalsContact O-CG 3.31Å; Q361-M365 WeakPolarHBondContact O-CG 3.38Å; Q361-M365 PolarHBondContact O-N 3.2Å
362L85.1Confident87.1Confident90 Ų9083 Ų8347%0.47140%0.4SS..Hα-helixtrans-62.6-43.9175.8-69.2170.9000112.1K358 L359 Q364 M365 E366 I591K358-L362 WeakPolarHBondContact O-CG 3.42Å; K358-L362 PolarHBondContact O-N 2.9Å; L359-L362 PolarHBondContact O-N 3.43Å; L362-Q364 PolarHBondContact O-N 3.43Å; L362-M365 PolarHBondContact O-N 2.98Å; L362-E366 PolarHBondContact O-N 3.27Å; L362-I591 HydrophobicContact CB-CD1 4.07Å; L362-I591 HydrophobicContact CD1-CD1 4.34Å
363K85.9Confident87.6Confident31 Ų3180.7 Ų80.714%0.13539%0.39CS..Hα-helixtrans-56.9-47.6172.6-73.5177.2170.7-156.60111.4L359 N360 M365 E366 R367 I591 D595L359-K363 WeakPolarHBondContact O-CG 3.44Å; L359-K363 PolarHBondContact O-N 3.02Å; N360-K363 PolarHBondContact O-N 2.81Å; K363-M365 PolarHBondContact O-N 2.92Å; K363-E366 PolarHBondContact O-N 3Å; K363-R367 VanDerWaalsContact O-CG 3.31Å; K363-R367 WeakPolarHBondContact O-CG 3.3Å; K363-R367 PolarHBondContact O-N 2.96Å; K363-I591 HydrophobicContact CG-CG2 3.86Å; K363-D595 WeakPolarHBondContact CD-OD1 3.38Å; K363-D595 VanDerWaalsContact CE-OD1 3.27Å; K363-D595 WeakPolarHBondContact CE-OD1 3.09Å; K363-D595 IonicContact NZ-OD1 2.82Å; K363-D595 PolarHBondContact NZ-OD1 3.28Å
364Q88.9Confident88Confident118 Ų11878.8 Ų78.855%0.55138%0.381SS*.Hα-helixtrans-62.7-40.8178.8-171.1178.19.400112.4N360 Q361 L362 R367 N368N360-Q364 WeakPolarHBondContact O-CB 3.3Å; N360-Q364 PolarHBondContact O-N 3.1Å; Q361-Q364 PolarHBondContact O-N 2.96Å; L362-Q364 PolarHBondContact O-N 3.43Å; Q364-R367 PolarHBondContact O-N 2.93Å; Q364-N368 WeakPolarHBondContact O-CB 3.46Å; Q364-N368 PolarHBondContact O-N 3.13Å; Q364-N368 PolarHBondContact O-ND2 3.11Å
365M84.8Confident88.5Confident132 Ų13278.6 Ų78.665%0.6539%0.388SS*.Hα-helixtrans-63.6-41.2176.5-73-64.8-72.300112.5Q361 L362 K363 N368 R369Q361-M365 VanDerWaalsContact O-CG 3.31Å; Q361-M365 WeakPolarHBondContact O-CG 3.38Å; Q361-M365 PolarHBondContact O-N 3.2Å; L362-M365 PolarHBondContact O-N 2.98Å; K363-M365 PolarHBondContact O-N 2.92Å; M365-N368 PolarHBondContact O-N 3.49Å; M365-R369 PolarHBondContact O-N 3.29Å
366E86.3Confident89Confident20 Ų2078.8 Ų78.89%0.09339%0.388CS..Hα-helixtrans-70.5-36.6175-71.7-69.6-174.300112.2L362 K363 N368 R369 L370 K588 Y592 L598L362-E366 PolarHBondContact O-N 3.27Å; K363-E366 PolarHBondContact O-N 3Å; E366-N368 VanDerWaalsContact C-N 3.34Å; E366-N368 PolarHBondContact O-N 3.45Å; E366-R369 PolarHBondContact O-N 2.92Å; E366-R369 IonicContact OE1-NE 2.7Å; E366-R369 IonicContact OE1-NH2 2.66Å; E366-R369 IonicContact OE2-CZ 3.95Å; E366-R369 IonicContact OE2-NE 2.79Å; E366-R369 PolarHBondContact OE2-NE 2.97Å; E366-R369 IonicContact OE2-NH2 2.68Å; E366-R369 PolarHBondContact OE2-NH2 3.36Å; E366-L370 WeakPolarHBondContact O-CG 3.45Å; E366-L370 PolarHBondContact O-N 3.44Å; E366-K588 IonicContact OE1-NZ 3.47Å; E366-Y592 PolarHBondContact OE1-OH 2.85Å; E366-Y592 PolarHBondContact OE2-OH 3.05Å; E366-L598 HydrophobicContact CB-CD1 4.32Å; E366-L598 HydrophobicContact CB-CD2 4.01Å
367R89.1Confident89.2Confident94 Ų9475.7 Ų75.736%0.35537%0.374SS..Hα-helixtrans-59.2-44.9171.6-70.1177.6-169.4177.84111K363 Q364 L370 N371 D595 L598 M601K363-R367 VanDerWaalsContact O-CG 3.31Å; K363-R367 WeakPolarHBondContact O-CG 3.3Å; K363-R367 PolarHBondContact O-N 2.96Å; Q364-R367 PolarHBondContact O-N 2.93Å; R367-L370 PolarHBondContact O-N 2.86Å; R367-N371 WeakPolarHBondContact O-CB 3.41Å; R367-N371 PolarHBondContact O-N 2.95Å; R367-N371 PolarHBondContact O-ND2 3.26Å; R367-D595 IonicContact CZ-OD2 2.82Å; R367-D595 IonicContact NE-OD2 2.74Å; R367-D595 PolarHBondContact NE-OD2 2.9Å; R367-D595 IonicContact NH2-OD1 3.26Å; R367-D595 PolarHBondContact NH2-OD1 2.83Å; R367-D595 IonicContact NH2-OD2 2.63Å; R367-D595 PolarHBondContact NH2-OD2 3.18Å; R367-L598 HydrophobicContact CB-CD2 4.2Å; R367-L598 HydrophobicContact CG-CD2 3.46Å; R367-L598 VanDerWaalsContact CG-CD2 3.46Å; R367-L598 HydrophobicContact CG-CG 4.13Å; R367-M601 HydrophobicContact CB-CE 3.88Å; R367-M601 HydrophobicContact CG-CE 3.76Å
368N91.9Very high89.4Confident78 Ų7873.8 Ų73.842%0.41737%0.371SS..Hα-helixtrans-62.3-42.5175.8-70-14.4000112Q364 M365 E366 N371 V372Q364-N368 WeakPolarHBondContact O-CB 3.46Å; Q364-N368 PolarHBondContact O-N 3.13Å; Q364-N368 PolarHBondContact O-ND2 3.11Å; M365-N368 PolarHBondContact O-N 3.49Å; E366-N368 VanDerWaalsContact C-N 3.34Å; E366-N368 PolarHBondContact O-N 3.45Å; N368-N371 PolarHBondContact O-N 3.38Å; N368-V372 WeakPolarHBondContact O-CG2 3.5Å; N368-V372 PolarHBondContact O-N 2.99Å; N368-V372 VanDerWaalsContact O-N 3.09Å
369R92.7Very high89.9Confident112 Ų11272 Ų7242%0.42337%0.37SS..Hα-helixtrans-61.7-45.4177.1-170.2176.666.593.44.9111.9M365 E366 V372 M373 Y592M365-R369 PolarHBondContact O-N 3.29Å; E366-R369 PolarHBondContact O-N 2.92Å; E366-R369 IonicContact OE1-NE 2.7Å; E366-R369 IonicContact OE1-NH2 2.66Å; E366-R369 IonicContact OE2-CZ 3.95Å; E366-R369 IonicContact OE2-NE 2.79Å; E366-R369 PolarHBondContact OE2-NE 2.97Å; E366-R369 IonicContact OE2-NH2 2.68Å; E366-R369 PolarHBondContact OE2-NH2 3.36Å; R369-V372 PolarHBondContact O-N 3.38Å; R369-M373 WeakPolarHBondContact O-CG 3.34Å; R369-M373 PolarHBondContact O-N 2.81Å; R369-Y592 PolarHBondContact NH2-OH 3.47Å
370L92.1Very high90Very high2 Ų271 Ų711%0.0137%0.368CS..Hα-helixtrans-64.8-44.4177.9-67.2176.8000111.7E366 R367 V372 M373 I374 L598 M601 L602 L605E366-L370 WeakPolarHBondContact O-CG 3.45Å; E366-L370 PolarHBondContact O-N 3.44Å; R367-L370 PolarHBondContact O-N 2.86Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 2.92Å; L370-M373 PolarHBondContact O-N 3.43Å; L370-M373 VanDerWaalsContact O-N 3.11Å; L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 WeakPolarHBondContact O-CG1 3.35Å; L370-I374 PolarHBondContact O-N 3.08Å; L370-L598 HydrophobicContact CD1-CB 4.46Å; L370-L598 HydrophobicContact CD1-CD2 3.76Å; L370-M601 HydrophobicContact CB-CB 4.06Å; L370-M601 HydrophobicContact CB-CE 4.4Å; L370-M601 HydrophobicContact CB-SD 4.19Å; L370-M601 HydrophobicContact CD1-CB 3.79Å; L370-M601 HydrophobicContact CD1-CE 4.35Å; L370-L602 HydrophobicContact CD1-CD2 4.4Å; L370-L602 HydrophobicContact CD1-CG 4.03Å; L370-L602 HydrophobicContact CD2-CD2 3.68Å; L370-L602 HydrophobicContact CD2-CG 4.19Å; L370-L605 HydrophobicContact CD2-CD1 4.44Å
371N92.7Very high90.1Very high82 Ų8268.6 Ų68.644%0.43936%0.356SS..Hα-helixtrans-56.2-42.5175.5-82.7-36000113.1R367 N368 I374 S375 M601R367-N371 WeakPolarHBondContact O-CB 3.41Å; R367-N371 PolarHBondContact O-N 2.95Å; R367-N371 PolarHBondContact O-ND2 3.26Å; N368-N371 PolarHBondContact O-N 3.38Å; N371-I374 PolarHBondContact O-N 3.33Å; N371-S375 WeakPolarHBondContact O-CB 3.27Å; N371-S375 PolarHBondContact O-N 3.04Å; N371-M601 PolarHBondContact OD1-SD 3.02Å
372V94.3Very high90.4Very high106 Ų10666.2 Ų66.264%0.64236%0.356SS*.Hα-helixtrans-63.2-42.8175.8170.20000111.5N368 R369 L370 S375 H376N368-V372 WeakPolarHBondContact O-CG2 3.5Å; N368-V372 PolarHBondContact O-N 2.99Å; N368-V372 VanDerWaalsContact O-N 3.09Å; R369-V372 PolarHBondContact O-N 3.38Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 2.92Å; V372-S375 PolarHBondContact O-N 3.25Å; V372-H376 PolarHBondContact O-N 3.22Å
373M95.5Very high90.5Very high66 Ų6669.2 Ų69.233%0.32537%0.365SS..Hα-helixtrans-69.2-37.4178.7-64.1-177.67700112.6R369 L370 H376 E377 L605R369-M373 WeakPolarHBondContact O-CG 3.34Å; R369-M373 PolarHBondContact O-N 2.81Å; L370-M373 PolarHBondContact O-N 3.43Å; L370-M373 VanDerWaalsContact O-N 3.11Å; M373-H376 PolarHBondContact O-N 3.11Å; M373-E377 PolarHBondContact O-N 2.96Å; M373-E377 VanDerWaalsContact O-N 3.08Å; M373-L605 HydrophobicContact CB-CD1 3.39Å; M373-L605 HydrophobicContact CE-CD1 4.4Å; M373-L605 HydrophobicContact CG-CD1 4.42Å; M373-L605 HydrophobicContact SD-CD1 4.31Å
374I93.3Very high90.5Very high25 Ų2571.1 Ų71.113%0.12837%0.373CS..Hα-helixtrans-62.9-48.1173.8-71.9168.4000110.5L370 N371 H376 E377 A378 M601 Y604 L605L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 WeakPolarHBondContact O-CG1 3.35Å; L370-I374 PolarHBondContact O-N 3.08Å; N371-I374 PolarHBondContact O-N 3.33Å; I374-H376 PolarHBondContact O-N 3.25Å; I374-E377 PolarHBondContact O-N 3.26Å; I374-A378 WeakPolarHBondContact O-CB 3.24Å; I374-A378 PolarHBondContact O-N 2.96Å; I374-M601 HydrophobicContact CD1-CB 3.92Å; I374-M601 HydrophobicContact CD1-CG 3.95Å; I374-M601 HydrophobicContact CD1-SD 4.31Å; I374-Y604 HydrophobicContact CD1-CD1 4.1Å; I374-Y604 HydrophobicContact CG1-CD1 4.1Å; I374-Y604 HydrophobicContact CG2-CD1 3.84Å; I374-Y604 HydrophobicContact CG2-CE1 3.69Å; I374-L605 HydrophobicContact CG1-CB 4.06Å; I374-L605 HydrophobicContact CG1-CD1 4.26Å
375S93.1Very high90.5Very high71 Ų7168.6 Ų68.650%0.49736%0.364SS..Hα-helixtrans-58.5-36.8175.9-177.80000112.3N371 V372 S379N371-S375 WeakPolarHBondContact O-CB 3.27Å; N371-S375 PolarHBondContact O-N 3.04Å; V372-S375 PolarHBondContact O-N 3.25Å; S375-S379 WeakPolarHBondContact O-CB 3.5Å; S375-S379 PolarHBondContact O-N 3.4Å; S375-S379 PolarHBondContact O-OG 3.09Å
376H93.3Very high90.8Very high112 Ų11266.5 Ų66.552%0.51936%0.355SS..Hα-helixtrans-67.4-45.8175.5180-82.2000113.8V372 M373 I374 S379 S380V372-H376 PolarHBondContact O-N 3.22Å; M373-H376 PolarHBondContact O-N 3.11Å; I374-H376 PolarHBondContact O-N 3.25Å; H376-S379 PolarHBondContact O-N 2.88Å; H376-S380 WeakPolarHBondContact O-CB 3.39Å; H376-S380 PolarHBondContact O-N 3.17Å; H376-S380 PolarHBondContact O-OG 3.44Å
377E89.7Confident90.9Very high17 Ų1768.2 Ų68.28%0.07937%0.368CS..Hα-helixtrans-67.7-41.7177.3-64.3-69.3176.700110.8M373 I374 S379 S380 T381 Q608 K609 R612M373-E377 PolarHBondContact O-N 2.96Å; M373-E377 VanDerWaalsContact O-N 3.08Å; I374-E377 PolarHBondContact O-N 3.26Å; E377-S379 PolarHBondContact O-N 3.06Å; E377-S380 WeakPolarHBondContact O-CA 3.29Å; E377-S380 WeakPolarHBondContact O-CB 3.46Å; E377-S380 PolarHBondContact O-N 2.8Å; E377-T381 PolarHBondContact O-N 2.81Å; E377-T381 PolarHBondContact O-OG1 3.28Å; E377-Q608 HydrophobicContact CB-CB 4.33Å; E377-Q608 VanDerWaalsContact CB-OE1 3.23Å; E377-K609 HydrophobicContact CG-CG 4.34Å; E377-K609 WeakPolarHBondContact OE1-CE 3.43Å; E377-R612 IonicContact OE1-NH1 2.82Å; E377-R612 PolarHBondContact OE1-NH1 2.83Å; E377-R612 VanDerWaalsContact OE2-CD 3.3Å; E377-R612 WeakPolarHBondContact OE2-CD 3.36Å; E377-R612 IonicContact OE2-CZ 3.94Å; E377-R612 IonicContact OE2-NE 3.41Å; E377-R612 IonicContact OE2-NH1 2.69Å; E377-R612 PolarHBondContact OE2-NH1 3.27Å
378A89.7Confident90.8Very high42 Ų4265.4 Ų65.435%0.34736%0.362SS..Hα-helixtrans-59.4-43.4173.300000112.5I374 S380 T381 A382I374-A378 WeakPolarHBondContact O-CB 3.24Å; I374-A378 PolarHBondContact O-N 2.96Å; A378-S380 PolarHBondContact O-N 3.21Å; A378-T381 PolarHBondContact O-N 2.99Å; A378-A382 WeakPolarHBondContact O-CB 3.37Å; A378-A382 PolarHBondContact O-N 3.21Å
379S92.4Very high90.8Very high53 Ų5368.6 Ų68.637%0.37137%0.372SS..Hα-helixtrans-62.3-31.1173.3-65.60000112.9S375 H376 E377 K383S375-S379 WeakPolarHBondContact O-CB 3.5Å; S375-S379 PolarHBondContact O-N 3.4Å; S375-S379 PolarHBondContact O-OG 3.09Å; H376-S379 PolarHBondContact O-N 2.88Å; E377-S379 PolarHBondContact O-N 3.06Å; S379-K383 WeakPolarHBondContact O-CD 3.04Å; S379-K383 VanDerWaalsContact O-CG 3.22Å; S379-K383 WeakPolarHBondContact O-CG 3.49Å; S379-K383 PolarHBondContact O-N 2.89Å
380S88.1Confident90.7Very high36 Ų3671.4 Ų71.425%0.25238%0.383SS..Hα-helixtrans-75.6-42.2178.9-60.40000111.3H376 E377 A378 K383 F384H376-S380 WeakPolarHBondContact O-CB 3.39Å; H376-S380 PolarHBondContact O-N 3.17Å; H376-S380 PolarHBondContact O-OG 3.44Å; E377-S380 WeakPolarHBondContact O-CA 3.29Å; E377-S380 WeakPolarHBondContact O-CB 3.46Å; E377-S380 PolarHBondContact O-N 2.8Å; A378-S380 PolarHBondContact O-N 3.21Å; S380-K383 PolarHBondContact O-N 2.82Å; S380-F384 PolarHBondContact O-N 3.13Å
381T87.5Confident90.5Very high44 Ų4476 Ų7627%0.2740%0.403SS..Hα-helixtrans-62.8-47.3174.1-56.80000111.3E377 A378 K383 F384 D385E377-T381 PolarHBondContact O-N 2.81Å; E377-T381 PolarHBondContact O-OG1 3.28Å; A378-T381 PolarHBondContact O-N 2.99Å; T381-K383 VanDerWaalsContact C-N 3.3Å; T381-K383 PolarHBondContact O-N 3.41Å; T381-F384 WeakPolarHBondContact O-CA 3.36Å; T381-F384 WeakPolarHBondContact O-CB 3.26Å; T381-F384 PolarHBondContact O-N 3.45Å; T381-D385 PolarHBondContact O-N 3.36Å
382A91Very high90.4Very high60 Ų6077.7 Ų77.750%0.49641%0.411SS..Hα-helixtrans-59.2-37.9176.400000113.1A378 L386A378-A382 WeakPolarHBondContact O-CB 3.37Å; A378-A382 PolarHBondContact O-N 3.21Å; A382-L386 WeakPolarHBondContact O-CB 3.32Å; A382-L386 PolarHBondContact O-N 2.7Å
383K87.6Confident90.4Very high153 Ų15375.5 Ų75.567%0.66540%0.404SS*.Hα-helixtrans-66.7-38.5173.1-74.7168.9-175.5173.20112.2S379 S380 T381 C387S379-K383 WeakPolarHBondContact O-CD 3.04Å; S379-K383 VanDerWaalsContact O-CG 3.22Å; S379-K383 WeakPolarHBondContact O-CG 3.49Å; S379-K383 PolarHBondContact O-N 2.89Å; S380-K383 PolarHBondContact O-N 2.82Å; T381-K383 VanDerWaalsContact C-N 3.3Å; T381-K383 PolarHBondContact O-N 3.41Å; K383-C387 WeakPolarHBondContact O-CB 3.38Å; K383-C387 PolarHBondContact O-N 3.43Å
384F86.4Confident90.2Very high70 Ų7075.1 Ų75.131%0.30741%0.411SS..Hα-helixtrans-65.9-45175.8-179.8-97000111.9S380 T381 L386 C387 C388 Y615S380-F384 PolarHBondContact O-N 3.13Å; T381-F384 WeakPolarHBondContact O-CA 3.36Å; T381-F384 WeakPolarHBondContact O-CB 3.26Å; T381-F384 PolarHBondContact O-N 3.45Å; F384-L386 PolarHBondContact O-N 2.99Å; F384-C387 CarbonylContact O-C 3.55Å; F384-C387 WeakPolarHBondContact O-CA 3.44Å; F384-C387 VanDerWaalsContact O-CB 3.3Å; F384-C387 WeakPolarHBondContact O-CB 3.36Å; F384-C387 PolarHBondContact O-N 2.94Å; F384-C387 VanDerWaalsContact O-N 3.13Å; F384-C388 PolarHBondContact O-N 3.44Å; F384-C388 PolarHBondContact O-SG 2.64Å; F384-C388 VanDerWaalsContact O-SG 3.36Å; F384-Y615 HydrophobicContact CE1-CD1 4.4Å; F384-Y615 HydrophobicContact CE1-CG 4.47Å
385D89.1Confident90Very high66 Ų6678.5 Ų78.535%0.35343%0.429SS..Hα-helixtrans-63.1-43.1177.5-72-18.6000112.2T381 C387 C388 K389T381-D385 PolarHBondContact O-N 3.36Å; D385-C387 VanDerWaalsContact C-N 3.29Å; D385-C387 PolarHBondContact O-N 3.07Å; D385-C388 PolarHBondContact O-N 3.03Å; D385-K389 WeakPolarHBondContact O-CB 3.26Å; D385-K389 VanDerWaalsContact O-CG 3.3Å; D385-K389 WeakPolarHBondContact O-CG 3.39Å; D385-K389 PolarHBondContact O-N 2.91Å
386L91.2Very high90Very high88 Ų8881.6 Ų81.646%0.46143%0.434SS..Hα-helixtrans-61.6-38.7173.6-177.661.2000111.4A382 F384 R390A382-L386 WeakPolarHBondContact O-CB 3.32Å; A382-L386 PolarHBondContact O-N 2.7Å; F384-L386 PolarHBondContact O-N 2.99Å; L386-R390 WeakPolarHBondContact O-CB 3.44Å; L386-R390 VanDerWaalsContact O-CG 3.24Å; L386-R390 WeakPolarHBondContact O-CG 3.45Å; L386-R390 PolarHBondContact O-N 2.87Å
387C87.5Confident89.9Confident56 Ų5680.5 Ų80.538%0.37843%0.431SS..Hα-helixtrans-64-42.9173.8-171.10000111.8K383 F384 D385 R390 K391K383-C387 WeakPolarHBondContact O-CB 3.38Å; K383-C387 PolarHBondContact O-N 3.43Å; F384-C387 CarbonylContact O-C 3.55Å; F384-C387 WeakPolarHBondContact O-CA 3.44Å; F384-C387 VanDerWaalsContact O-CB 3.3Å; F384-C387 WeakPolarHBondContact O-CB 3.36Å; F384-C387 PolarHBondContact O-N 2.94Å; F384-C387 VanDerWaalsContact O-N 3.13Å; D385-C387 VanDerWaalsContact C-N 3.29Å; D385-C387 PolarHBondContact O-N 3.07Å; C387-R390 PolarHBondContact O-N 2.97Å; C387-K391 WeakPolarHBondContact O-CB 3.45Å; C387-K391 VanDerWaalsContact O-CG 3.27Å; C387-K391 WeakPolarHBondContact O-CG 3.29Å; C387-K391 PolarHBondContact O-N 2.78Å; C387-K391 WeakPolarHBondContact SG-CE 3.45Å
388C87.6Confident90Very high34 Ų3488.5 Ų88.523%0.2346%0.461CS..Hα-helixtrans-66.9-45.1177.9-69.60000112.2F384 D385 R390 K391 I392F384-C388 PolarHBondContact O-N 3.44Å; F384-C388 PolarHBondContact O-SG 2.64Å; F384-C388 VanDerWaalsContact O-SG 3.36Å; D385-C388 PolarHBondContact O-N 3.03Å; C388-R390 VanDerWaalsContact C-N 3.34Å; C388-R390 PolarHBondContact O-N 2.99Å; C388-K391 PolarHBondContact O-N 3.07Å; C388-I392 WeakPolarHBondContact O-CG1 3.44Å; C388-I392 PolarHBondContact O-N 3.49Å
389K91.4Very high90.1Very high145 Ų14591.7 Ų91.763%0.6347%0.472SS*.Hα-helixtrans-57.4-45172.9-71167.8-177.5173.90111.4D385 I392 A393D385-K389 WeakPolarHBondContact O-CB 3.26Å; D385-K389 VanDerWaalsContact O-CG 3.3Å; D385-K389 WeakPolarHBondContact O-CG 3.39Å; D385-K389 PolarHBondContact O-N 2.91Å; K389-I392 PolarHBondContact O-N 3.27Å; K389-A393 PolarHBondContact O-N 2.72Å
390R91.1Very high90Very high172 Ų17292.9 Ų92.965%0.64947%0.472SS*.Hα-helixtrans-63-42.2174.5-74.8174.1177.4-171.3-0.6113.1L386 C387 C388 A393 A394L386-R390 WeakPolarHBondContact O-CB 3.44Å; L386-R390 VanDerWaalsContact O-CG 3.24Å; L386-R390 WeakPolarHBondContact O-CG 3.45Å; L386-R390 PolarHBondContact O-N 2.87Å; C387-R390 PolarHBondContact O-N 2.97Å; C388-R390 VanDerWaalsContact C-N 3.34Å; C388-R390 PolarHBondContact O-N 2.99Å; R390-A393 PolarHBondContact O-N 3.04Å; R390-A394 WeakPolarHBondContact O-CB 3.34Å; R390-A394 PolarHBondContact O-N 2.85Å
391K88.2Confident90.1Very high97 Ų9797.8 Ų97.842%0.42249%0.489SS..Hα-helixtrans-61.1-42.8175.2-75163.1179.3164.50112C387 C388 N395C387-K391 WeakPolarHBondContact O-CB 3.45Å; C387-K391 VanDerWaalsContact O-CG 3.27Å; C387-K391 WeakPolarHBondContact O-CG 3.29Å; C387-K391 PolarHBondContact O-N 2.78Å; C387-K391 WeakPolarHBondContact SG-CE 3.45Å; C388-K391 PolarHBondContact O-N 3.07Å; K391-N395 WeakPolarHBondContact O-CB 3.42Å; K391-N395 PolarHBondContact O-N 3.12Å; K391-N395 PolarHBondContact O-ND2 2.82Å
392I91.4Very high90.2Very high119 Ų119105.1 Ų105.161%0.6151%0.511SS*.Hα-helixtrans-64.5-48.8178-67.9162.1000110.2C388 K389 A394 N395 K396C388-I392 WeakPolarHBondContact O-CG1 3.44Å; C388-I392 PolarHBondContact O-N 3.49Å; K389-I392 PolarHBondContact O-N 3.27Å; I392-A394 PolarHBondContact O-N 2.88Å; I392-N395 PolarHBondContact O-N 3.2Å; I392-K396 PolarHBondContact O-N 3.35Å
393A93.3Very high90.2Very high60 Ų60104.8 Ų104.850%0.49651%0.509SS..Hα-helixtrans-60-43.4177.100000112.6K389 R390 K396 L397K389-A393 PolarHBondContact O-N 2.72Å; R390-A393 PolarHBondContact O-N 3.04Å; A393-K396 PolarHBondContact O-N 3.06Å; A393-L397 WeakPolarHBondContact O-CB 3.27Å; A393-L397 PolarHBondContact O-N 2.89Å
394A91Very high90.4Very high57 Ų57104.3 Ų104.347%0.47151%0.507SS..Hα-helixtrans-64.4-39.2177.100000112.7R390 I392 R398R390-A394 WeakPolarHBondContact O-CB 3.34Å; R390-A394 PolarHBondContact O-N 2.85Å; I392-A394 PolarHBondContact O-N 2.88Å; A394-R398 WeakPolarHBondContact O-CB 3.4Å; A394-R398 PolarHBondContact O-N 3.29Å
395N89.5Confident90.5Very high96 Ų96105.7 Ų105.751%0.51352%0.517SS..Hα-helixtrans-66.1-41.9173.4-77.9-20.7000111.8K391 I392 R398 N399K391-N395 WeakPolarHBondContact O-CB 3.42Å; K391-N395 PolarHBondContact O-N 3.12Å; K391-N395 PolarHBondContact O-ND2 2.82Å; I392-N395 PolarHBondContact O-N 3.2Å; N395-R398 PolarHBondContact O-N 3.43Å; N395-N399 VanDerWaalsContact O-CG 3.29Å; N395-N399 PolarHBondContact O-N 2.63Å; N395-N399 PolarHBondContact O-OD1 3.13Å
396K93Very high90.6Very high136 Ų136108.3 Ų108.359%0.59153%0.53SS*.Hα-helixtrans-59-50.9175.7-163.3-165.5179.4-157.60110.8I392 A393 R398 N399 E400I392-K396 PolarHBondContact O-N 3.35Å; A393-K396 PolarHBondContact O-N 3.06Å; K396-R398 VanDerWaalsContact C-N 3.3Å; K396-R398 PolarHBondContact O-N 2.74Å; K396-N399 PolarHBondContact O-N 3.46Å; K396-N399 VanDerWaalsContact O-N 3.11Å; K396-E400 WeakPolarHBondContact CD-OE1 3.47Å; K396-E400 WeakPolarHBondContact CE-OE1 3.42Å; K396-E400 WeakPolarHBondContact CG-OE1 3.45Å; K396-E400 IonicContact NZ-OE1 3.27Å; K396-E400 PolarHBondContact NZ-OE1 2.81Å; K396-E400 WeakPolarHBondContact O-CG 3.42Å; K396-E400 PolarHBondContact O-N 3.43Å
397L92Very high90.6Very high89 Ų89109.2 Ų109.247%0.46653%0.532SS..Hα-helixtrans-59.8-37176.6-179.262.7000112.7A393 K401A393-L397 WeakPolarHBondContact O-CB 3.27Å; A393-L397 PolarHBondContact O-N 2.89Å; L397-K401 WeakPolarHBondContact O-CB 3.26Å; L397-K401 WeakPolarHBondContact O-CG 3.38Å; L397-K401 PolarHBondContact O-N 3.48Å
398R90.5Very high90.8Very high185 Ų185112.1 Ų112.170%0.69854%0.538SS*.Hα-helixtrans-65.8-40.5175.2-171.3179.2-173.7-176.93111.8A394 N395 K396 R402A394-R398 WeakPolarHBondContact O-CB 3.4Å; A394-R398 PolarHBondContact O-N 3.29Å; N395-R398 PolarHBondContact O-N 3.43Å; K396-R398 VanDerWaalsContact C-N 3.3Å; K396-R398 PolarHBondContact O-N 2.74Å; R398-R402 WeakPolarHBondContact O-CB 3.47Å; R398-R402 PolarHBondContact O-N 3.27Å
399N92Very high90.9Very high109 Ų109115 Ų11558%0.58355%0.551SS**Hα-helixtrans-68.5-44.6177.1-68.2-4.3000111N395 K396 K401 R402 A403N395-N399 VanDerWaalsContact O-CG 3.29Å; N395-N399 PolarHBondContact O-N 2.63Å; N395-N399 PolarHBondContact O-OD1 3.13Å; K396-N399 PolarHBondContact O-N 3.46Å; K396-N399 VanDerWaalsContact O-N 3.11Å; N399-K401 PolarHBondContact O-N 3.36Å; N399-R402 PolarHBondContact O-N 3.05Å; N399-R402 VanDerWaalsContact O-N 3.13Å; N399-A403 PolarHBondContact O-N 2.88Å
400E91Very high90.9Very high78 Ų78113.4 Ų113.436%0.36455%0.549SS..Hα-helixtrans-58.2-44.4174.1-71.3168.9-170.600111.9K396 A403 K404K396-E400 WeakPolarHBondContact CD-OE1 3.47Å; K396-E400 WeakPolarHBondContact CE-OE1 3.42Å; K396-E400 WeakPolarHBondContact CG-OE1 3.45Å; K396-E400 IonicContact NZ-OE1 3.27Å; K396-E400 PolarHBondContact NZ-OE1 2.81Å; K396-E400 WeakPolarHBondContact O-CG 3.42Å; K396-E400 PolarHBondContact O-N 3.43Å; E400-A403 PolarHBondContact O-N 2.87Å; E400-K404 WeakPolarHBondContact O-CG 3.36Å; E400-K404 PolarHBondContact O-N 3.42Å
401K90Very high90.8Very high140 Ų140111 Ų11161%0.60954%0.544SS*.Hα-helixtrans-63.3-39.2173.8-76.9-173.7176.4-168.60112.4L397 N399 L405L397-K401 WeakPolarHBondContact O-CB 3.26Å; L397-K401 WeakPolarHBondContact O-CG 3.38Å; L397-K401 PolarHBondContact O-N 3.48Å; N399-K401 PolarHBondContact O-N 3.36Å; K401-L405 WeakPolarHBondContact O-CB 3.26Å; K401-L405 PolarHBondContact O-N 3.36Å
402R90.3Very high90.8Very high197 Ų197111.3 Ų111.374%0.74355%0.545SS*.Hα-helixtrans-67.4-38.7177.3-171.3173.7-177.4149.44.2112.1R398 N399 L405 L406R398-R402 WeakPolarHBondContact O-CB 3.47Å; R398-R402 PolarHBondContact O-N 3.27Å; N399-R402 PolarHBondContact O-N 3.05Å; N399-R402 VanDerWaalsContact O-N 3.13Å; R402-L405 PolarHBondContact O-N 2.95Å; R402-L406 WeakPolarHBondContact O-CB 3.37Å; R402-L406 PolarHBondContact O-N 2.97Å
403A91.1Very high90.6Very high53 Ų53112.6 Ų112.644%0.43855%0.546SS..Hα-helixtrans-63.7-49.1174.300000111.6N399 E400 L405 L406 E407N399-A403 PolarHBondContact O-N 2.88Å; E400-A403 PolarHBondContact O-N 2.87Å; A403-L405 VanDerWaalsContact C-N 3.31Å; A403-L405 PolarHBondContact O-N 3.1Å; A403-L406 WeakPolarHBondContact O-CB 3.32Å; A403-L406 PolarHBondContact O-N 3.28Å; A403-L406 VanDerWaalsContact O-N 3.1Å; A403-E407 PolarHBondContact O-N 2.99Å
404K90.3Very high90.4Very high144 Ų144114.8 Ų114.863%0.62655%0.549SS*.Hα-helixtrans-61.1-36.9176.8-71.1177.4179-177.80112.9E400 F408E400-K404 WeakPolarHBondContact O-CG 3.36Å; E400-K404 PolarHBondContact O-N 3.42Å; K404-F408 WeakPolarHBondContact O-CB 3.46Å; K404-F408 PolarHBondContact O-N 2.93Å
405L89.4Confident90.1Very high99 Ų99117.2 Ų117.252%0.51855%0.55SS.*Hα-helixtrans-66-42.4172.8179.460.1000111.9K401 R402 A403 F408 L409K401-L405 WeakPolarHBondContact O-CB 3.26Å; K401-L405 PolarHBondContact O-N 3.36Å; R402-L405 PolarHBondContact O-N 2.95Å; A403-L405 VanDerWaalsContact C-N 3.31Å; A403-L405 PolarHBondContact O-N 3.1Å; L405-F408 PolarHBondContact O-N 3.5Å; L405-L409 HydrophobicContact CD1-CD1 4.3Å; L405-L409 HydrophobicContact CD1-CG 4.24Å; L405-L409 HydrophobicContact CG-CD1 4.1Å; L405-L409 HydrophobicContact CG-CG 4.47Å; L405-L409 WeakPolarHBondContact O-CG 3.48Å; L405-L409 PolarHBondContact O-N 2.82Å
406L91.3Very high89.8Confident121 Ų121117.4 Ų117.463%0.63455%0.548SS*.Hα-helixtrans-63.9-42.4177.6-175.162.2000111.6R402 A403 F408 L409 N410R402-L406 WeakPolarHBondContact O-CB 3.37Å; R402-L406 PolarHBondContact O-N 2.97Å; A403-L406 WeakPolarHBondContact O-CB 3.32Å; A403-L406 PolarHBondContact O-N 3.28Å; A403-L406 VanDerWaalsContact O-N 3.1Å; L406-F408 PolarHBondContact O-N 3.34Å; L406-L409 PolarHBondContact O-N 3.04Å; L406-N410 WeakPolarHBondContact O-CB 3.34Å; L406-N410 PolarHBondContact O-N 3Å
407E90.5Very high89.3Confident106 Ų106115.3 Ų115.350%0.49554%0.543SS..Hα-helixtrans-57.6-46.1170.7-80.5-171.6-143.900112.6A403 N410 K411A403-E407 PolarHBondContact O-N 2.99Å; E407-N410 PolarHBondContact O-N 2.8Å; E407-K411 WeakPolarHBondContact O-CB 3.32Å; E407-K411 VanDerWaalsContact O-CG 3.3Å; E407-K411 WeakPolarHBondContact O-CG 3.28Å; E407-K411 PolarHBondContact O-N 2.71Å; E407-K411 IonicContact OE2-NZ 2.59Å; E407-K411 PolarHBondContact OE2-NZ 3.22Å
408F91.6Very high89Confident117 Ų117117.7 Ų117.751%0.51355%0.55SS.*Hα-helixtrans-62.5-44.4179.6177.4-94.2000111.5K404 L405 L406 N410 K411 K412K404-F408 WeakPolarHBondContact O-CB 3.46Å; K404-F408 PolarHBondContact O-N 2.93Å; L405-F408 PolarHBondContact O-N 3.5Å; L406-F408 PolarHBondContact O-N 3.34Å; F408-N410 VanDerWaalsContact C-N 3.32Å; F408-N410 PolarHBondContact O-N 2.68Å; F408-K411 PolarHBondContact O-N 3Å; F408-K412 HydrophobicContact CD1-CG 4.31Å; F408-K412 HydrophobicContact CE1-CG 3.85Å; F408-K412 HydrophobicContact CE2-CG 4.45Å; F408-K412 HydrophobicContact CZ-CG 3.94Å; F408-K412 WeakPolarHBondContact O-CB 2.84Å; F408-K412 PolarHBondContact O-N 2.81Å
409L90.8Very high88.5Confident94 Ų94112.9 Ų112.949%0.49254%0.541SS..Hα-helixtrans-62.7-38.3175.2-70171.4000111.9L405 L406 K412 K413L405-L409 HydrophobicContact CD1-CD1 4.3Å; L405-L409 HydrophobicContact CD1-CG 4.24Å; L405-L409 HydrophobicContact CG-CD1 4.1Å; L405-L409 HydrophobicContact CG-CG 4.47Å; L405-L409 WeakPolarHBondContact O-CG 3.48Å; L405-L409 PolarHBondContact O-N 2.82Å; L406-L409 PolarHBondContact O-N 3.04Å; L409-K412 PolarHBondContact O-N 3.41Å; L409-K413 PolarHBondContact O-N 2.78Å
410N91.4Very high88.2Confident113 Ų113110.9 Ų110.960%0.60453%0.53SS*.Hα-helixtrans-71-40.7177.9-149.421.2000111.8L406 E407 F408 K412 K413 L414L406-N410 WeakPolarHBondContact O-CB 3.34Å; L406-N410 PolarHBondContact O-N 3Å; E407-N410 PolarHBondContact O-N 2.8Å; F408-N410 VanDerWaalsContact C-N 3.32Å; F408-N410 PolarHBondContact O-N 2.68Å; N410-K412 VanDerWaalsContact C-N 3.29Å; N410-K412 PolarHBondContact O-N 3.2Å; N410-K413 PolarHBondContact O-N 3.05Å; N410-L414 PolarHBondContact O-N 3Å
411K89.2Confident87.8Confident122 Ų122114.2 Ų114.253%0.5354%0.544SS..Hα-helixtrans-60.7-37.9170.3-73.6162.2179.1161.90111.3E407 F408 Q415E407-K411 WeakPolarHBondContact O-CB 3.32Å; E407-K411 VanDerWaalsContact O-CG 3.3Å; E407-K411 WeakPolarHBondContact O-CG 3.28Å; E407-K411 PolarHBondContact O-N 2.71Å; E407-K411 IonicContact OE2-NZ 2.59Å; E407-K411 PolarHBondContact OE2-NZ 3.22Å; F408-K411 PolarHBondContact O-N 3Å; K411-Q415 WeakPolarHBondContact O-CG 3.49Å; K411-Q415 PolarHBondContact O-N 2.75Å
412K87Confident87.5Confident103 Ų103111.4 Ų111.445%0.44854%0.538SS..Hα-helixtrans-70.6-39.8175-83.3-68.1-179.4-164.70113.4F408 L409 N410 Q415 Q416F408-K412 HydrophobicContact CD1-CG 4.31Å; F408-K412 HydrophobicContact CE1-CG 3.85Å; F408-K412 HydrophobicContact CE2-CG 4.45Å; F408-K412 HydrophobicContact CZ-CG 3.94Å; F408-K412 WeakPolarHBondContact O-CB 2.84Å; F408-K412 PolarHBondContact O-N 2.81Å; L409-K412 PolarHBondContact O-N 3.41Å; N410-K412 VanDerWaalsContact C-N 3.29Å; N410-K412 PolarHBondContact O-N 3.2Å; K412-Q415 VanDerWaalsContact NZ-OE1 3.11Å; K412-Q415 PolarHBondContact O-N 2.83Å; K412-Q416 WeakPolarHBondContact O-CB 3.5Å; K412-Q416 PolarHBondContact O-N 3.27Å
413K88.3Confident87Confident145 Ų145104.3 Ų104.363%0.6352%0.522SS*.Hα-helixtrans-57.9-51169-81.1-166.5169.7-166.10111.1L409 N410 Q415 Q416 D417L409-K413 PolarHBondContact O-N 2.78Å; N410-K413 PolarHBondContact O-N 3.05Å; K413-Q415 VanDerWaalsContact C-N 3.26Å; K413-Q415 PolarHBondContact O-N 3.11Å; K413-Q416 CarbonylContact O-C 3.59Å; K413-Q416 WeakPolarHBondContact O-CA 3.33Å; K413-Q416 WeakPolarHBondContact O-CB 3.38Å; K413-Q416 PolarHBondContact O-N 2.77Å; K413-D417 VanDerWaalsContact O-CG 3.3Å; K413-D417 PolarHBondContact O-N 2.84Å
414L88.7Confident86.5Confident107 Ų107109.4 Ų109.456%0.5653%0.534SS*.Hα-helixtrans-59.6-34.3178.3-16381.4000113.2N410 K418N410-L414 PolarHBondContact O-N 3Å; L414-K418 WeakPolarHBondContact O-CG 3.42Å; L414-K418 PolarHBondContact O-N 3.41Å
415Q84.7Confident85.8Confident107 Ų107108.4 Ų108.450%0.553%0.532SS..Hα-helixtrans-68.3-45.6169.9-79.1-172.5-33.700111.8K411 K412 K413 D417 K418 V419K411-Q415 WeakPolarHBondContact O-CG 3.49Å; K411-Q415 PolarHBondContact O-N 2.75Å; K412-Q415 VanDerWaalsContact NZ-OE1 3.11Å; K412-Q415 PolarHBondContact O-N 2.83Å; K413-Q415 VanDerWaalsContact C-N 3.26Å; K413-Q415 PolarHBondContact O-N 3.11Å; Q415-D417 VanDerWaalsContact C-N 3.34Å; Q415-D417 PolarHBondContact O-N 3.21Å; Q415-K418 PolarHBondContact O-N 2.94Å; Q415-V419 WeakPolarHBondContact O-CG2 3.47Å; Q415-V419 PolarHBondContact O-N 2.99Å
416Q82.2Confident85.2Confident100 Ų100107.4 Ų107.447%0.46753%0.529SS..Hα-helixtrans-62.9-38.9179-167.662.744.100111.8K412 K413 K418 V419 N420K412-Q416 WeakPolarHBondContact O-CB 3.5Å; K412-Q416 PolarHBondContact O-N 3.27Å; K413-Q416 CarbonylContact O-C 3.59Å; K413-Q416 WeakPolarHBondContact O-CA 3.33Å; K413-Q416 WeakPolarHBondContact O-CB 3.38Å; K413-Q416 PolarHBondContact O-N 2.77Å; Q416-K418 VanDerWaalsContact C-N 3.33Å; Q416-K418 PolarHBondContact O-N 2.96Å; Q416-V419 CarbonylContact O-C 3.58Å; Q416-V419 PolarHBondContact O-N 3.33Å; Q416-N420 PolarHBondContact NE2-OD1 3.31Å; Q416-N420 WeakPolarHBondContact O-CB 3.39Å; Q416-N420 PolarHBondContact O-N 3.31Å; Q416-N420 PolarHBondContact O-ND2 3.07Å; Q416-N420 PolarHBondContact O-OD1 3.46Å
417D84.2Confident84.6Confident92 Ų92104 Ų10449%0.49252%0.518SS..Hα-helixtrans-67-34.1177.5-63.7-38.1000111.9K413 Q415 K421K413-D417 VanDerWaalsContact O-CG 3.3Å; K413-D417 PolarHBondContact O-N 2.84Å; Q415-D417 VanDerWaalsContact C-N 3.34Å; Q415-D417 PolarHBondContact O-N 3.21Å; D417-K421 PolarHBondContact O-N 2.92Å
418K84.6Confident83.8Confident139 Ų139102.2 Ų102.260%0.60452%0.518SS*.Hα-helixtrans-68.3-47.1170.5-71.5176.8-179-168.10111.7L414 Q415 Q416 N420 K421 V422L414-K418 WeakPolarHBondContact O-CG 3.42Å; L414-K418 PolarHBondContact O-N 3.41Å; Q415-K418 PolarHBondContact O-N 2.94Å; Q416-K418 VanDerWaalsContact C-N 3.33Å; Q416-K418 PolarHBondContact O-N 2.96Å; K418-N420 VanDerWaalsContact C-N 3.3Å; K418-N420 PolarHBondContact O-N 2.71Å; K418-K421 PolarHBondContact O-N 3.37Å; K418-V422 PolarHBondContact O-N 2.78Å; K418-V422 VanDerWaalsContact O-N 3.17Å
419V80.8Confident82.6Confident84 Ų84100.2 Ų100.251%0.50952%0.518SS..Hα-helixtrans-62.5-37.8176.4171.40000111Q415 Q416 K421 V422 A423Q415-V419 WeakPolarHBondContact O-CG2 3.47Å; Q415-V419 PolarHBondContact O-N 2.99Å; Q416-V419 CarbonylContact O-C 3.58Å; Q416-V419 PolarHBondContact O-N 3.33Å; V419-K421 VanDerWaalsContact C-N 3.33Å; V419-K421 PolarHBondContact O-N 3.41Å; V419-V422 PolarHBondContact O-N 3.08Å; V419-A423 WeakPolarHBondContact O-CB 3.48Å; V419-A423 PolarHBondContact O-N 3.32Å
420N84.4Confident81.8Confident67 Ų67101.6 Ų101.636%0.35852%0.522SS..Hα-helixtrans-66.8-31177.1-72.7-9.2000112.4Q416 K418 K424Q416-N420 PolarHBondContact NE2-OD1 3.31Å; Q416-N420 WeakPolarHBondContact O-CB 3.39Å; Q416-N420 PolarHBondContact O-N 3.31Å; Q416-N420 PolarHBondContact O-ND2 3.07Å; Q416-N420 PolarHBondContact O-OD1 3.46Å; K418-N420 VanDerWaalsContact C-N 3.3Å; K418-N420 PolarHBondContact O-N 2.71Å; N420-K424 WeakPolarHBondContact O-CG 3.48Å; N420-K424 PolarHBondContact O-N 3.04Å
421K84.2Confident81Confident149 Ų149102.2 Ų102.265%0.64852%0.521SS*.Hα-helixtrans-67.2-53.3170.5-76.4-173.8174.8-167.30111D417 K418 V419 A423 K424 E425D417-K421 PolarHBondContact O-N 2.92Å; K418-K421 PolarHBondContact O-N 3.37Å; V419-K421 VanDerWaalsContact C-N 3.33Å; V419-K421 PolarHBondContact O-N 3.41Å; K421-A423 VanDerWaalsContact C-N 3.26Å; K421-A423 PolarHBondContact O-N 2.95Å; K421-K424 WeakPolarHBondContact O-CB 3.48Å; K421-K424 PolarHBondContact O-N 3.43Å; K421-E425 PolarHBondContact O-N 3.23Å
422V81.9Confident80.2Confident81 Ų81102 Ų10249%0.49153%0.526SS..Hα-helixtrans-59.1-38.6177178.10000111.5K418 V419 K424 E425 V426K418-V422 PolarHBondContact O-N 2.78Å; K418-V422 VanDerWaalsContact O-N 3.17Å; V419-V422 PolarHBondContact O-N 3.08Å; V422-K424 VanDerWaalsContact C-N 3.3Å; V422-K424 PolarHBondContact O-N 3.34Å; V422-E425 PolarHBondContact O-N 3.43Å; V422-V426 HydrophobicContact CG1-CG2 4.25Å; V422-V426 WeakPolarHBondContact O-CB 3.35Å; V422-V426 VanDerWaalsContact O-CG2 3.31Å; V422-V426 WeakPolarHBondContact O-CG2 3.33Å; V422-V426 PolarHBondContact O-N 3.16Å
423A81.5Confident79Confident48 Ų4899.6 Ų99.640%0.39753%0.525SS..Hα-helixtrans-66.5-29.2177.200000112.8V419 K421 A427V419-A423 WeakPolarHBondContact O-CB 3.48Å; V419-A423 PolarHBondContact O-N 3.32Å; K421-A423 VanDerWaalsContact C-N 3.26Å; K421-A423 PolarHBondContact O-N 2.95Å; A423-A427 WeakPolarHBondContact O-CB 3.38Å; A423-A427 PolarHBondContact O-N 3.29Å
424K79.2Confident78Confident160 Ų16099.4 Ų99.470%0.69653%0.525SS*.Hα-helixtrans-71.8-41.7172.1-76.2177176.5-168.10111.9N420 K421 V422 A427 S428N420-K424 WeakPolarHBondContact O-CG 3.48Å; N420-K424 PolarHBondContact O-N 3.04Å; K421-K424 WeakPolarHBondContact O-CB 3.48Å; K421-K424 PolarHBondContact O-N 3.43Å; V422-K424 VanDerWaalsContact C-N 3.3Å; V422-K424 PolarHBondContact O-N 3.34Å; K424-A427 PolarHBondContact O-N 3.02Å; K424-S428 PolarHBondContact O-N 3.45Å; K424-S428 PolarHBondContact O-OG 3.08Å
425E77Confident77Confident123 Ų12399.6 Ų99.658%0.57553%0.525SS*.Hα-helixtrans-64.5-40.8175.1-64.3164.3165.500111.8K421 V422 S428 S429K421-E425 PolarHBondContact O-N 3.23Å; V422-E425 PolarHBondContact O-N 3.43Å; E425-S428 PolarHBondContact O-OG 3.03Å; E425-S429 PolarHBondContact O-N 3.4Å; E425-S429 PolarHBondContact O-OG 3.49Å
426V76.9Confident75.7Confident77 Ų7797.7 Ų97.747%0.46753%0.528SS..Hα-helixtrans-68.1-42.5172.6171.80000110.7V422 S429 H430V422-V426 HydrophobicContact CG1-CG2 4.25Å; V422-V426 WeakPolarHBondContact O-CB 3.35Å; V422-V426 VanDerWaalsContact O-CG2 3.31Å; V422-V426 WeakPolarHBondContact O-CG2 3.33Å; V422-V426 PolarHBondContact O-N 3.16Å; V426-S429 CarbonylContact O-C 3.58Å; V426-S429 WeakPolarHBondContact O-CB 3.41Å; V426-S429 PolarHBondContact O-N 2.9Å; V426-H430 WeakPolarHBondContact O-CB 3.21Å; V426-H430 PolarHBondContact O-N 3.24Å
427A78.2Confident74.6Confident49 Ų49100.2 Ų100.241%0.40554%0.537SS..Hα-helixtrans-61.5-45.7179.700000112.5A423 K424 S429 H430 E431A423-A427 WeakPolarHBondContact O-CB 3.38Å; A423-A427 PolarHBondContact O-N 3.29Å; K424-A427 PolarHBondContact O-N 3.02Å; A427-S429 VanDerWaalsContact C-N 3.28Å; A427-S429 PolarHBondContact O-N 2.92Å; A427-H430 CarbonylContact O-C 3.56Å; A427-H430 WeakPolarHBondContact O-CA 3.41Å; A427-H430 WeakPolarHBondContact O-CB 3.42Å; A427-H430 PolarHBondContact O-N 3.26Å; A427-E431 PolarHBondContact O-N 3.43Å
428S72.8Confident73.7Confident69 Ų69103.1 Ų103.148%0.48355%0.545SS..Hα-helixtrans-60.9-39175.354.70000111.9K424 E425 H430 N432K424-S428 PolarHBondContact O-N 3.45Å; K424-S428 PolarHBondContact O-OG 3.08Å; E425-S428 PolarHBondContact O-OG 3.03Å; S428-H430 VanDerWaalsContact C-N 3.29Å; S428-H430 PolarHBondContact O-N 3.33Å; S428-N432 VanDerWaalsContact O-CG 3.31Å; S428-N432 PolarHBondContact O-N 3.38Å; S428-N432 PolarHBondContact O-ND2 2.96Å
429S66.7Low72.6Confident76 Ų76104 Ų10453%0.53155%0.549SS..Hα-helixtrans-64.5-34.3172.3-54.30000112.2E425 V426 A427 A433E425-S429 PolarHBondContact O-N 3.4Å; E425-S429 PolarHBondContact O-OG 3.49Å; V426-S429 CarbonylContact O-C 3.58Å; V426-S429 WeakPolarHBondContact O-CB 3.41Å; V426-S429 PolarHBondContact O-N 2.9Å; A427-S429 VanDerWaalsContact C-N 3.28Å; A427-S429 PolarHBondContact O-N 2.92Å; S429-A433 PolarHBondContact O-N 3.49Å
430H74Confident71.5Confident122 Ų122105 Ų10557%0.56555%0.551SS**Hα-helixtrans-77.8-32.7-177.1-134.9-39.3000113.4V426 A427 S428 A433 K434V426-H430 WeakPolarHBondContact O-CB 3.21Å; V426-H430 PolarHBondContact O-N 3.24Å; A427-H430 CarbonylContact O-C 3.56Å; A427-H430 WeakPolarHBondContact O-CA 3.41Å; A427-H430 WeakPolarHBondContact O-CB 3.42Å; A427-H430 PolarHBondContact O-N 3.26Å; S428-H430 VanDerWaalsContact C-N 3.29Å; S428-H430 PolarHBondContact O-N 3.33Å; H430-A433 PolarHBondContact O-N 2.98Å; H430-K434 WeakPolarHBondContact O-CB 3.32Å; H430-K434 PolarHBondContact O-N 3.28Å
431E74.7Confident70.3Confident127 Ų127107.8 Ų107.859%0.59356%0.564SS**Hα-helixtrans-66.5-43.3173.8-66.9-157.2142.700111.4A427 A433 K434 I435A427-E431 PolarHBondContact O-N 3.43Å; E431-A433 VanDerWaalsContact C-N 3.26Å; E431-A433 PolarHBondContact O-N 3.12Å; E431-K434 WeakPolarHBondContact O-CA 3.39Å; E431-K434 WeakPolarHBondContact O-CB 3.33Å; E431-K434 PolarHBondContact O-N 2.96Å; E431-I435 WeakPolarHBondContact O-CG1 3.37Å; E431-I435 PolarHBondContact O-N 3.24Å
432N71.5Confident69.4Low116 Ų116107.2 Ų107.262%0.6256%0.563SS**Hα-helixtrans-53-44171.4-65.9-20000111.6S428S428-N432 VanDerWaalsContact O-CG 3.31Å; S428-N432 PolarHBondContact O-N 3.38Å; S428-N432 PolarHBondContact O-ND2 2.96Å
433A62.7Low67.9Low53 Ų53109.9 Ų109.944%0.43857%0.57SS.*Hα-helixtrans-71.5-31.6175.400000113.7S429 H430 E431 A436 K437S429-A433 PolarHBondContact O-N 3.49Å; H430-A433 PolarHBondContact O-N 2.98Å; E431-A433 VanDerWaalsContact C-N 3.26Å; E431-A433 PolarHBondContact O-N 3.12Å; A433-A436 PolarHBondContact O-N 2.85Å; A433-K437 PolarHBondContact O-N 3.2Å; A433-K437 VanDerWaalsContact O-N 3.1Å
434K67.5Low66.4Low142 Ų142115.2 Ų115.262%0.61758%0.584SS**Hα-helixtrans-66.5-37.8178.9-128.9174.1-176.7177.90111.9H430 E431 A436 K437 K438H430-K434 WeakPolarHBondContact O-CB 3.32Å; H430-K434 PolarHBondContact O-N 3.28Å; E431-K434 WeakPolarHBondContact O-CA 3.39Å; E431-K434 WeakPolarHBondContact O-CB 3.33Å; E431-K434 PolarHBondContact O-N 2.96Å; K434-A436 VanDerWaalsContact C-N 3.34Å; K434-K437 PolarHBondContact O-N 3.4Å; K434-K438 PolarHBondContact O-N 2.91Å
435I67.4Low65.4Low110 Ų110115.8 Ų115.856%0.56459%0.587SS**Hα-helixtrans-60.7-43.8175.9-67.4164.1000110.6E431E431-I435 WeakPolarHBondContact O-CG1 3.37Å; E431-I435 PolarHBondContact O-N 3.24Å
436A56.7Low64.3Low68 Ų68117.9 Ų117.956%0.56259%0.594SS**Hα-helixtrans-63.9-43.6174.200000112.3A433 K434 K438A433-A436 PolarHBondContact O-N 2.85Å; K434-A436 VanDerWaalsContact C-N 3.34Å; A436-K438 PolarHBondContact O-N 3Å
437K59.8Low62.4Low153 Ų153118.5 Ų118.567%0.66560%0.602SS**Hα-helixtrans-70.7-28.3-175.9-162.5172.4-175177.50114.2A433 K434 L440A433-K437 PolarHBondContact O-N 3.2Å; A433-K437 VanDerWaalsContact O-N 3.1Å; K434-K437 PolarHBondContact O-N 3.4Å; K437-L440 PolarHBondContact O-N 3.44Å
438K66.1Low60.7Low153 Ų153119.5 Ų119.567%0.66561%0.61SS**Hα-helixtrans-58.9-47.1176.3-98.8-168.4171-170.80112.1K434 A436 L440 M441K434-K438 PolarHBondContact O-N 2.91Å; A436-K438 PolarHBondContact O-N 3Å; K438-L440 PolarHBondContact O-N 3.4Å; K438-M441 PolarHBondContact O-N 3.27Å
439K61.5Low59.7Low158 Ų158120.1 Ų120.169%0.68761%0.614SS**Hα-helixtrans-54.3-37.7-179.2-64.4-173175.4-172.80112.8M441K439-M441 PolarHBondContact O-N 3.19Å
440L56.5Low58.9Low105 Ų105124 Ų12455%0.5562%0.624SS.*Hα-helixtrans-77.3-13.6-178.6-121.5176.3000114.6K437 K438K437-L440 PolarHBondContact O-N 3.44Å; K438-L440 PolarHBondContact O-N 3.4Å
441M59.3Low57.3Low125 Ų125125.1 Ų125.162%0.61663%0.633SS**Hα-helixtrans-90.6-32.1-177.7-165-172.3-64.600112.5K438 K439 E443 K444 K445K438-M441 PolarHBondContact O-N 3.27Å; K439-M441 PolarHBondContact O-N 3.19Å; M441-E443 PolarHBondContact O-N 3.32Å; M441-K444 PolarHBondContact O-N 2.96Å; M441-K445 PolarHBondContact O-N 3.34Å; M441-K445 VanDerWaalsContact O-N 3.13Å
442E64.6Low56Low137 Ų137125.9 Ų125.964%0.6464%0.64SS**Hα-helixtrans-65.5-29.3-178.2-68.7174.4174.600112.2
443E52.1Low55Low136 Ų136129 Ų12964%0.63665%0.648SS**Hα-helixtrans-67.6-51.4172.1-61.2178.9148.800111.6M441 K445M441-E443 PolarHBondContact O-N 3.32Å; E443-K445 VanDerWaalsContact C-N 3.33Å; E443-K445 PolarHBondContact O-N 3.17Å
444K48.6Very low54.1Low160 Ų160135 Ų13570%0.69667%0.667SS**Hα-helixtrans-69.3-25.6-175.8-68.6-159.9174.3-164.30114.3M441 K446 S447M441-K444 PolarHBondContact O-N 2.96Å; K444-K446 PolarHBondContact O-N 3.11Å; K444-S447 PolarHBondContact O-N 3.48Å
445K58Low53.1Low172 Ų172134 Ų13475%0.74868%0.678SS**G310 helixtrans-64.7-21.1-177-161.4177.4-179.7-173.40113M441 E443M441-K445 PolarHBondContact O-N 3.34Å; M441-K445 VanDerWaalsContact O-N 3.13Å; E443-K445 VanDerWaalsContact C-N 3.33Å; E443-K445 PolarHBondContact O-N 3.17Å
446K54.2Low52.3Low168 Ų168137.6 Ų137.673%0.7369%0.69SS**G310 helixtrans-73.1-21.9-178.3-64.5-177.4-179.4178.70114.6K444 S449K444-K446 PolarHBondContact O-N 3.11Å; K446-S449 PolarHBondContact O-OG 3.46Å
447S38.5Very low52Low89 Ų89143 Ų14362%0.62270%0.703SS**G310 helixtrans-95-6.9-173.9-510000114.9K444K444-S447 PolarHBondContact O-N 3.48Å
448A42.4Very low51.5Low71 Ų71144.3 Ų144.359%0.58772%0.716SS**SBendtrans-91-14.1-174.100000114.1E450A448-E450 PolarHBondContact O-N 2.95Å
449S50.9Low50.8Low81 Ų81143.8 Ų143.857%0.56672%0.72SS**SBendtrans-78.7-12.2-17034.70000115.6K446K446-S449 PolarHBondContact O-OG 3.46Å
450E49.5Very low50.5Low157 Ų157143.4 Ų143.473%0.73473%0.726SS**SBendtrans-93.5-35.4-169.6-64.2178.7149.200112.9A448 L452A448-E450 PolarHBondContact O-N 2.95Å; E450-L452 VanDerWaalsContact C-N 3.28Å; E450-L452 PolarHBondContact O-N 3.38Å
451I40.6Very low50Low146 Ų146147.9 Ų147.975%0.74974%0.744SS**G310 helixtrans-71.5-18.8-174.2-61.6173.7000112.9K453I451-K453 VanDerWaalsContact C-N 3.28Å; I451-K453 PolarHBondContact O-N 2.84Å; I451-K453 VanDerWaalsContact O-N 3.17Å
452L48.5Very low49.6Very low144 Ų144146.4 Ų146.475%0.75475%0.751SS**G310 helixtrans-78.60.3-166.3-151.4128.3000115.3E450E450-L452 VanDerWaalsContact C-N 3.28Å; E450-L452 PolarHBondContact O-N 3.38Å
453K50Low49.1Very low180 Ų180145.6 Ų145.678%0.78376%0.756SS**G310 helixtrans-93-22.3-169.8-75.6-176.2175.9177.80116.3I451I451-K453 VanDerWaalsContact C-N 3.28Å; I451-K453 PolarHBondContact O-N 2.84Å; I451-K453 VanDerWaalsContact O-N 3.17Å
454E44.2Very low49.3Very low179 Ų179146.6 Ų146.684%0.83676%0.764SS**SBendtrans-88.3-19.6-166.2-60.9-175.8146.400114.7K456E454-K456 VanDerWaalsContact C-N 3.32Å; E454-K456 PolarHBondContact O-N 2.82Å; E454-K456 VanDerWaalsContact O-N 3.15Å
455S46.2Very low49Very low121 Ų121149.3 Ų149.385%0.84678%0.776SS**THydrogen-bonded Turntrans-79.97.6-167.5-170.30000116.6
456K49.9Very low48.8Very low187 Ų187145.8 Ų145.881%0.81378%0.779SS**THydrogen-bonded Turntrans-108.59.2-162.4-85.4-166.4173.2-171.30117.6E454E454-K456 VanDerWaalsContact C-N 3.32Å; E454-K456 PolarHBondContact O-N 2.82Å; E454-K456 VanDerWaalsContact O-N 3.15Å
457Q49.7Very low48.9Very low181 Ų181146.5 Ų146.585%0.84679%0.785SS**SBendtrans-117.111.7-168.5-70.2-175.1-32.300116.9
458L49.7Very low49.2Very low180 Ų180151.1 Ų151.194%0.94280%0.797SS**SBendtrans-124.332.3-169-70174.5000115.7
459L52.8Low49.1Very low143 Ų143157.4 Ų157.475%0.74981%0.814SS**SBendtrans-115.3-28.9-171.9-169.656.8000116.6
460D53.8Low49.3Very low149 Ų149162.2 Ų162.280%0.79782%0.824SS**G310 helixtrans-89-11.7-155.1-63.4-36.7000116.9A462D460-A462 PolarHBondContact O-N 2.76Å
461E46.2Very low49.5Very low199 Ų199165.7 Ų165.793%0.9383%0.831SS**G310 helixtrans-80.9-10.1-170.7-64.3-166.3133.100115.8V463E461-V463 PolarHBondContact O-N 3.15Å
462A52Low49.3Very low94 Ų94167.1 Ų167.178%0.77784%0.836SS**G310 helixtrans-84.8-5.6-160.400000117.2D460D460-A462 PolarHBondContact O-N 2.76Å
463V54Low49.2Very low120 Ų120170 Ų17073%0.72784%0.843SS**SBendtrans-95.2-24-153.8177.40000116.2E461E461-V463 PolarHBondContact O-N 3.15Å
464I56.1Low49.4Very low158 Ų158171 Ų17181%0.8185%0.847SS**SBendtrans-84.4-22.8-154.9-68.3174.7000116.4A466I464-A466 PolarHBondContact O-N 2.81Å
465K42Very low49.6Very low216 Ų216170.4 Ų170.494%0.93984%0.844SS**SBendtrans-84.18.2-160.5-80.5-174.8174.5176.70118.6
466A54.3Low49.6Very low99 Ų99172.2 Ų172.282%0.81884%0.844SS**  trans-103.43.7-158.400000118.4I464I464-A466 PolarHBondContact O-N 2.81Å
467Q55.5Low49.8Very low182 Ų182171.1 Ų171.185%0.8585%0.845SS**SBendtrans-111.5-8.4-152.9-159.5158.5-1300118.4
468E44.1Very low49.7Very low187 Ų187173.5 Ų173.587%0.87485%0.846SS**SBendtrans-98.7-31.2-161.2-61.6-167.9126.300117.6K470E468-K470 PolarHBondContact O-N 3.46Å
469E42Very low49.8Very low202 Ų202173 Ų17394%0.94484%0.839SS**G310 helixtrans-66-11.7-164.5-64.3-169.6117.600116.6R471E469-R471 PolarHBondContact O-N 3.41Å
470K55Low49.7Very low182 Ų182173.8 Ų173.879%0.79184%0.843SS**G310 helixtrans-89.312.7-153.1-139.1170-172.2171.40117.5E468E468-K470 PolarHBondContact O-N 3.46Å
471R52.8Low49.4Very low231 Ų231176 Ų17687%0.87285%0.848SS**G310 helixtrans-98.7-29.8-170.6-93.9-179.7171.5153.7-2118E469 K473E469-R471 PolarHBondContact O-N 3.41Å; R471-K473 PolarHBondContact O-N 3.31Å
472M35.9Very low49.5Very low175 Ų175170.5 Ų170.586%0.86284%0.837SS**SBendtrans-84.6-10.5-157-66-60.3-70.800118K474M472-K474 PolarHBondContact O-N 2.8Å
473K47.4Very low49.3Very low206 Ų206174.4 Ų174.490%0.89684%0.839SS**SBendtrans-96.129.4-160.1-66.1-173.2174.7179.90117.4R471R471-K473 PolarHBondContact O-N 3.31Å
474K54.5Low48.6Very low200 Ų200177 Ų17787%0.8784%0.843SS**SBendtrans-120.8-9-163.9-77.6-168.7172.3-175.10121M472M472-K474 PolarHBondContact O-N 2.8Å
475E46.9Very low47.9Very low166 Ų166177.8 Ų177.878%0.77685%0.848SS**SBendtrans-95.5-32-167-165.657.3-153.200116.5I477E475-I477 PolarHBondContact O-N 3.26Å; E475-I477 VanDerWaalsContact O-N 3.14Å
476L46.5Very low47.9Very low159 Ų159172.4 Ų172.483%0.83284%0.838SS**G310 helixtrans-66.5-23.6-156.4-175.459000117.2R478L476-R478 PolarHBondContact O-N 3.03Å
477I53.8Low47.3Very low165 Ų165172 Ų17285%0.84684%0.835SS**G310 helixtrans-81.4-8-155.3-67.1172.8000114.3E475E475-I477 PolarHBondContact O-N 3.26Å; E475-I477 VanDerWaalsContact O-N 3.14Å
478R48.7Very low46.4Very low231 Ų231171.5 Ų171.587%0.87284%0.836SS**G310 helixtrans-85.6-13.5-157.1-162.7167.9-179.8175.7-0.5117.7L476L476-R478 PolarHBondContact O-N 3.03Å
479Q52.4Low45.6Very low168 Ų168170.8 Ų170.879%0.78584%0.835SS**SBendtrans-96.7-29.7-160.8-71.2177.7-21.700116.9Q481Q479-Q481 PolarHBondContact O-N 3.11Å
480I49.7Very low45.3Very low161 Ų161168.2 Ų168.283%0.82683%0.833SS**THydrogen-bonded Turntrans-79.3-11.9-157.2-65.4170.4000114.6A482I480-A482 PolarHBondContact O-N 3.31Å
481Q47.8Very low44.5Very low195 Ų195169.1 Ų169.191%0.91184%0.837SS**THydrogen-bonded Turntrans-95.720.4-165-63-176.5-2500115.6Q479Q479-Q481 PolarHBondContact O-N 3.11Å
482A48Very low44Very low84 Ų84163.3 Ų163.369%0.69483%0.831SS**SBendtrans-112.8-18-165.900000116.8I480I480-A482 PolarHBondContact O-N 3.31Å
483E48Very low44.1Very low175 Ų175165.6 Ų165.682%0.81883%0.831SS**SBendtrans-110.9-13.5-160.1-58.5-171.2147.400115.2
484E38.8Very low43.8Very low174 Ų174162.2 Ų162.281%0.81382%0.822SS**SBendtrans-86.7169.3176.8-60.1-172.3159.300112.3
485L41.4Very low43.2Very low175 Ų175159.3 Ų159.392%0.91682%0.815SS**  trans78.67.4176.6-48.2176.1000118.3A487L485-A487 VanDerWaalsContact C-N 3.31Å; L485-A487 PolarHBondContact O-N 2.98Å
486S43.3Very low42.8Very low104 Ų104160.4 Ų160.473%0.72782%0.817SS**  trans-75.370.4178.149.10000115.2I488S486-I488 PolarHBondContact O-N 3.04Å
487A41.3Very low42.4Very low91 Ų91162 Ų16275%0.75282%0.82SS**  trans62.339.9141.200000120.4L485 M489L485-A487 VanDerWaalsContact C-N 3.31Å; L485-A487 PolarHBondContact O-N 2.98Å; A487-M489 PolarHBondContact O-N 2.82Å
488I35.8Very low41.5Very low170 Ų170161.8 Ų161.887%0.87282%0.819SS**  trans-72.883.7166.1-56.3171.4000111.2S486S486-I488 PolarHBondContact O-N 3.04Å
489M28.5Very low40.6Very low173 Ų173157 Ų15785%0.85281%0.811SS**  trans-155.7131.1168.1-71.2-158.7-178.200114.2A487A487-M489 PolarHBondContact O-N 2.82Å
490T34.3Very low39.4Very low148 Ų148156.7 Ų156.791%0.90881%0.814SS**  trans157.7162.1146.241.10000113.7
491K38.3Very low39.7Very low200 Ų200154.9 Ų154.987%0.8781%0.81SS**  trans-160.6166-159.8-59.6175.4178.2171.60117.8
492S42.4Very low39.6Very low109 Ų109153 Ų15376%0.76281%0.806SS**  trans79.3162.8151.4-74.20000123.9
493R39.5Very low39.9Very low224 Ų224152.6 Ų152.685%0.84580%0.796SS**  cis-179.7164.3-36.6-113.2-178.7-176.6-176.90.7115.9
494N39.9Very low40.2Very low134 Ų134148.8 Ų148.872%0.71779%0.786SS**  trans75.7174.7155.1-71.622.9000122.4
495I41.8Very low40.9Very low140 Ų140143.5 Ų143.572%0.71878%0.778SS**  cis168.2158.7-48-90.6166.1000110.5
496K38.9Very low41.6Very low189 Ų189142.4 Ų142.482%0.82277%0.768SS**  cis-171.1151.7-38.1-82.4-176.4173.1-173.40110
497Q37.9Very low42.4Very low192 Ų192140.7 Ų140.790%0.89777%0.767SS**  trans-160.6-146160.3-116.3174-8.700121.7
498I33.9Very low43.1Very low161 Ų161142.2 Ų142.283%0.82676%0.762SS**  trans-146.3-179.6-133.5-85171.4000119.8
499D29.9Very low44.1Very low131 Ų131142.7 Ų142.770%0.70177%0.765SS**  trans-120.2170.5-169.8161.660.3000116.8
500L28.4Very low45.2Very low161 Ų161141 Ų14184%0.84376%0.76SS**  trans-179.3117.5155.3-106.3176000115.5
501T54.8Low46.7Very low122 Ų122137.7 Ų137.775%0.74873%0.734SS**  trans-150.2-5166.4-23.70000119.8
502N46.8Very low47.5Very low156 Ų156130.9 Ų130.983%0.83471%0.706SS**  trans-76.8150.4-168.8-73.8-24.1000115.7
503T54.6Low48.4Very low76 Ų76127 Ų12747%0.46668%0.679SS.*  trans-90.5143.1173.7-67.50000110.9
504P53.1Low49.6Very low95 Ų95120.6 Ų120.662%0.61766%0.661SS**  trans-89.5-26.2-152.4-1533.4000119H506P504-H506 PolarHBondContact O-CE1 3.09Å; P504-H506 PolarHBondContact O-ND1 3.2Å
505G54.1Low51.1Low63 Ų63120 Ų12065%0.64966%0.656SS**  trans50.294177.200000116.5
506H57.2Low52.2Low151 Ų151117.5 Ų117.570%0.69964%0.641SS**  trans-125.9-8.1-173.6-72.721.5000115P504 E511P504-H506 PolarHBondContact O-CE1 3.09Å; P504-H506 PolarHBondContact O-ND1 3.2Å; H506-E511 WeakPolarHBondContact CA-OE1 3.49Å; H506-E511 WeakPolarHBondContact CA-OE2 3.46Å; H506-E511 VanDerWaalsContact CB-OE1 3.29Å; H506-E511 WeakPolarHBondContact CB-OE1 3.09Å; H506-E511 PolarHBondContact N-OE2 3.26Å
507G58.7Low54.1Low69 Ų69113.5 Ų113.571%0.71163%0.628SS**  trans90.211.8164.800000118.1E511G507-E511 PolarHBondContact N-OE1 2.96Å; G507-E511 PolarHBondContact N-OE2 3.04Å
508L55.5Low55.9Low123 Ų123111.5 Ų111.564%0.64461%0.613SS**  trans-64.2146.9171.8-86.968.5000112N510 E511L508-N510 PolarHBondContact O-N 3.44Å; L508-E511 HydrophobicContact CB-CB 4.34Å; L508-E511 HydrophobicContact CB-CG 4.21Å; L508-E511 PolarHBondContact N-OE1 3.24Å; L508-E511 WeakPolarHBondContact O-CB 3.15Å; L508-E511 PolarHBondContact O-N 3.28Å
509L56.8Low57.9Low179 Ų179111.1 Ų111.194%0.93761%0.607SS**THydrogen-bonded Turntrans-62.3-12.1178.4-63.3175000114.9
510N53.3Low60.5Low139 Ų139112.9 Ų112.974%0.74360%0.604SS**THydrogen-bonded Turntrans-116.613.1176.8-712.6000112.7L508L508-N510 PolarHBondContact O-N 3.44Å
511E64.3Low63Low77 Ų77109.8 Ų109.836%0.3659%0.588SS.*  trans-68.6144.8-178.4-117.5169.1-110.800112.9H506 G507 L508H506-E511 WeakPolarHBondContact CA-OE1 3.49Å; H506-E511 WeakPolarHBondContact CA-OE2 3.46Å; H506-E511 VanDerWaalsContact CB-OE1 3.29Å; H506-E511 WeakPolarHBondContact CB-OE1 3.09Å; H506-E511 PolarHBondContact N-OE2 3.26Å; G507-E511 PolarHBondContact N-OE1 2.96Å; G507-E511 PolarHBondContact N-OE2 3.04Å; L508-E511 HydrophobicContact CB-CB 4.34Å; L508-E511 HydrophobicContact CB-CG 4.21Å; L508-E511 PolarHBondContact N-OE1 3.24Å; L508-E511 WeakPolarHBondContact O-CB 3.15Å; L508-E511 PolarHBondContact O-N 3.28Å
512M55.6Low64.4Low57 Ų57108 Ų10828%0.28157%0.574SS.*  trans-150.6138.8-173.9-89.5-175154.200108.5E516 L517 R520M512-E516 HydrophobicContact CB-CB 3.67Å; M512-E516 HydrophobicContact CE-CB 4.04Å; M512-E516 HydrophobicContact CG-CB 3.62Å; M512-E516 HydrophobicContact CG-CG 4.42Å; M512-E516 HydrophobicContact SD-CB 3.85Å; M512-L517 HydrophobicContact CB-CD2 3.93Å; M512-L517 HydrophobicContact CB-CG 3.96Å; M512-R520 PolarHBondContact SD-NH1 3.46Å
513S62.4Low65.9Low29 Ų29107.9 Ų107.920%0.20357%0.568CS.*  trans-60.5167.5175.662.10000112.4I515 E516 L517S513-I515 PolarHBondContact O-N 3.05Å; S513-I515 PolarHBondContact OG-N 2.84Å; S513-E516 VanDerWaalsContact CB-OE2 3.23Å; S513-E516 WeakPolarHBondContact CB-OE2 3.48Å; S513-E516 PolarHBondContact N-OE2 2.68Å; S513-E516 PolarHBondContact O-N 2.93Å; S513-E516 PolarHBondContact OG-N 3.12Å; S513-E516 PolarHBondContact OG-OE2 2.72Å; S513-L517 WeakPolarHBondContact O-CG 3.3Å; S513-L517 PolarHBondContact O-N 3Å
514I64.5Low67.6Low89 Ų89110.8 Ų110.846%0.45658%0.58SS.*THydrogen-bonded Turntrans-55.9-14.8171.9-63.9175000112.1R518I514-R518 PolarHBondContact O-NE 3.27Å
515I70.5Confident69Low121 Ų121111.4 Ų111.462%0.62157%0.573SS**THydrogen-bonded Turntrans-91.1-51.8177.5-61.6167.2000111.2S513 L517 R518S513-I515 PolarHBondContact O-N 3.05Å; S513-I515 PolarHBondContact OG-N 2.84Å; I515-L517 VanDerWaalsContact C-N 3.32Å; I515-L517 PolarHBondContact O-N 3.15Å; I515-R518 WeakPolarHBondContact O-CB 3.43Å; I515-R518 WeakPolarHBondContact O-CD 3.3Å; I515-R518 WeakPolarHBondContact O-CG 3.39Å; I515-R518 PolarHBondContact O-N 3.3Å; I515-R518 VanDerWaalsContact O-N 3.07Å
516E64.5Low70.8Confident87 Ų87113.9 Ų113.941%0.40757%0.57SS.*G310 helixtrans-65.6-32.4-176.6-71.4158.497.600113.5M512 S513 R518 E519M512-E516 HydrophobicContact CB-CB 3.67Å; M512-E516 HydrophobicContact CE-CB 4.04Å; M512-E516 HydrophobicContact CG-CB 3.62Å; M512-E516 HydrophobicContact CG-CG 4.42Å; M512-E516 HydrophobicContact SD-CB 3.85Å; S513-E516 VanDerWaalsContact CB-OE2 3.23Å; S513-E516 WeakPolarHBondContact CB-OE2 3.48Å; S513-E516 PolarHBondContact N-OE2 2.68Å; S513-E516 PolarHBondContact O-N 2.93Å; S513-E516 PolarHBondContact OG-N 3.12Å; S513-E516 PolarHBondContact OG-OE2 2.72Å; E516-R518 PolarHBondContact O-N 2.95Å; E516-E519 PolarHBondContact O-N 3.16Å
517L78.5Confident72.4Confident106 Ų106111.9 Ų111.956%0.55557%0.565SS**G310 helixtrans-57.3-11.7172.7-69.1171.2000113.5M512 S513 I515 L521M512-L517 HydrophobicContact CB-CD2 3.93Å; M512-L517 HydrophobicContact CB-CG 3.96Å; S513-L517 WeakPolarHBondContact O-CG 3.3Å; S513-L517 PolarHBondContact O-N 3Å; I515-L517 VanDerWaalsContact C-N 3.32Å; I515-L517 PolarHBondContact O-N 3.15Å; L517-L521 WeakPolarHBondContact O-CB 3.39Å
518R77.1Confident73.8Confident150 Ų150115.5 Ų115.557%0.56656%0.561SS**G310 helixtrans-85.5-24.3-179-54.6173.7-175.4-156.7-3.7114I514 I515 E516I514-R518 PolarHBondContact O-NE 3.27Å; I515-R518 WeakPolarHBondContact O-CB 3.43Å; I515-R518 WeakPolarHBondContact O-CD 3.3Å; I515-R518 WeakPolarHBondContact O-CG 3.39Å; I515-R518 PolarHBondContact O-N 3.3Å; I515-R518 VanDerWaalsContact O-N 3.07Å; E516-R518 PolarHBondContact O-N 2.95Å
519E76.3Confident75.5Confident152 Ų152112.9 Ų112.971%0.7155%0.545SS*.THydrogen-bonded Turntrans-81.8-51.5-172.7-76.3-153.212900113.8E516 L521 N522E516-E519 PolarHBondContact O-N 3.16Å; E519-L521 PolarHBondContact O-N 3.38Å; E519-L521 VanDerWaalsContact O-N 3.15Å; E519-N522 WeakPolarHBondContact O-CB 3.39Å; E519-N522 PolarHBondContact O-N 3.13Å
520R84Confident77.1Confident169 Ų169111.8 Ų111.864%0.63853%0.529SS*.Hα-helixtrans-57-31.6174.3-71.9175.9170.6150.8-5.6111.5M512 N522M512-R520 PolarHBondContact SD-NH1 3.46Å; R520-N522 PolarHBondContact O-N 3.01Å
521L80.2Confident79Confident95 Ų95110.4 Ų110.450%0.49752%0.518SS..Hα-helixtrans-65.6-12.1173.7176.9147.6000113.8L517 E519 K525L517-L521 WeakPolarHBondContact O-CB 3.39Å; E519-L521 PolarHBondContact O-N 3.38Å; E519-L521 VanDerWaalsContact O-N 3.15Å; L521-K525 VanDerWaalsContact CD2-CE 3.45Å; L521-K525 VanDerWaalsContact O-CE 3.25Å; L521-K525 WeakPolarHBondContact O-CE 3.21Å; L521-K525 WeakPolarHBondContact O-CG 3.47Å
522N83.6Confident80.2Confident84 Ų84110.2 Ų110.245%0.44952%0.519SS..Hα-helixtrans-83.6-46.1174.7-78.5-25.8000114.3E519 R520 L524 K525E519-N522 WeakPolarHBondContact O-CB 3.39Å; E519-N522 PolarHBondContact O-N 3.13Å; R520-N522 PolarHBondContact O-N 3.01Å; N522-L524 VanDerWaalsContact C-N 3.27Å; N522-L524 PolarHBondContact O-N 3.46Å; N522-K525 VanDerWaalsContact O-CB 3.28Å; N522-K525 WeakPolarHBondContact O-CB 3.45Å; N522-K525 PolarHBondContact O-N 3.47Å; N522-K525 PolarHBondContact OD1-NZ 3.5Å
523Q79.8Confident82Confident155 Ų155111.5 Ų111.572%0.72452%0.524SS*.Hα-helixtrans-60.9-38.6-177.1-72-172.4-3.800112K525 I526Q523-K525 PolarHBondContact O-N 2.94Å; Q523-K525 VanDerWaalsContact O-N 3.12Å; Q523-I526 PolarHBondContact O-N 3.16Å
524L88.6Confident83.5Confident136 Ų136116.4 Ų116.471%0.71254%0.544SS*.Hα-helixtrans-61.7-17.3175.3-66.2173.4000113.9N522 K528N522-L524 VanDerWaalsContact C-N 3.27Å; N522-L524 PolarHBondContact O-N 3.46Å; L524-K528 VanDerWaalsContact O-CB 3.26Å; L524-K528 WeakPolarHBondContact O-CB 3.35Å
525K82.8Confident84.9Confident109 Ų109117.2 Ų117.247%0.47454%0.544SS..Hα-helixtrans-75.9-32.1173.2-60.9169.4-174.6165.50112.2L521 N522 Q523 Q529L521-K525 VanDerWaalsContact CD2-CE 3.45Å; L521-K525 VanDerWaalsContact O-CE 3.25Å; L521-K525 WeakPolarHBondContact O-CE 3.21Å; L521-K525 WeakPolarHBondContact O-CG 3.47Å; N522-K525 VanDerWaalsContact O-CB 3.28Å; N522-K525 WeakPolarHBondContact O-CB 3.45Å; N522-K525 PolarHBondContact O-N 3.47Å; N522-K525 PolarHBondContact OD1-NZ 3.5Å; Q523-K525 PolarHBondContact O-N 2.94Å; Q523-K525 VanDerWaalsContact O-N 3.12Å; K525-Q529 WeakPolarHBondContact O-CB 3.39Å; K525-Q529 PolarHBondContact O-N 3.39Å; K525-Q529 VanDerWaalsContact O-N 3.08Å
526I92.1Very high86Confident115 Ų115117 Ų11759%0.5954%0.536SS*.Hα-helixtrans-72.9-53.1-170.6-61.2174.5000110.9Q523 K528 Q529Q523-I526 PolarHBondContact O-N 3.16Å; I526-K528 VanDerWaalsContact C-N 3.27Å; I526-K528 PolarHBondContact O-N 3.06Å; I526-Q529 WeakPolarHBondContact O-CB 3.38Å; I526-Q529 PolarHBondContact O-N 3.29Å
527N90.8Very high87.4Confident108 Ų108118 Ų11858%0.57854%0.543SS*.Hα-helixtrans-61.3-40.2177.7-69.6-7.9000111.4Q529 R530N527-Q529 PolarHBondContact O-N 3.16Å; N527-R530 PolarHBondContact O-N 2.94Å
528K88Confident88.2Confident145 Ų145116.2 Ų116.263%0.6354%0.544SS*.Hα-helixtrans-59.3-28.3174-175174.1-176.9174.10113.1L524 I526 L532L524-K528 VanDerWaalsContact O-CB 3.26Å; L524-K528 WeakPolarHBondContact O-CB 3.35Å; I526-K528 VanDerWaalsContact C-N 3.27Å; I526-K528 PolarHBondContact O-N 3.06Å; K528-L532 HydrophobicContact CG-CD1 4.39Å; K528-L532 VanDerWaalsContact O-CD1 3.31Å; K528-L532 WeakPolarHBondContact O-CD1 3.38Å; K528-L532 VanDerWaalsContact O-CG 3.22Å; K528-L532 WeakPolarHBondContact O-CG 3.15Å
529Q91Very high89Confident69 Ų69113.3 Ų113.332%0.32254%0.539SS..Hα-helixtrans-75.3-35.9-179.9-178.143.447.100112.8K525 I526 N527 L532 E533K525-Q529 WeakPolarHBondContact O-CB 3.39Å; K525-Q529 PolarHBondContact O-N 3.39Å; K525-Q529 VanDerWaalsContact O-N 3.08Å; I526-Q529 WeakPolarHBondContact O-CB 3.38Å; I526-Q529 PolarHBondContact O-N 3.29Å; N527-Q529 PolarHBondContact O-N 3.16Å; Q529-L532 WeakPolarHBondContact O-CB 3.33Å; Q529-L532 PolarHBondContact O-N 2.86Å; Q529-E533 PolarHBondContact NE2-OE1 2.95Å; Q529-E533 PolarHBondContact O-N 3.18Å
530R91.5Very high89.9Confident156 Ų156110 Ų11059%0.58953%0.526SS*.Hα-helixtrans-66.4-47.3178.5-170.1-170.5-58.4146.54.4112.5N527 L532 E533N527-R530 PolarHBondContact O-N 2.94Å; R530-L532 PolarHBondContact O-N 3.26Å; R530-L532 VanDerWaalsContact O-N 3.12Å; R530-E533 WeakPolarHBondContact O-CB 3.33Å; R530-E533 PolarHBondContact O-N 3.13Å
531E91.9Very high90.4Very high109 Ų109106.2 Ų106.251%0.50952%0.518SS..Hα-helixtrans-57.7-27.4174.9-83.3-167.9-129.500113.1E533 K535E531-E533 VanDerWaalsContact C-N 3.31Å; E531-K535 WeakPolarHBondContact O-CB 2.85Å; E531-K535 WeakPolarHBondContact O-CD 3.15Å; E531-K535 VanDerWaalsContact O-CE 3.29Å; E531-K535 WeakPolarHBondContact O-CE 3.46Å; E531-K535 WeakPolarHBondContact O-CG 3.37Å; E531-K535 IonicContact OE2-NZ 2.88Å; E531-K535 PolarHBondContact OE2-NZ 2.87Å
532L90Very high91.2Very high73 Ų73104.9 Ų104.938%0.38251%0.511SS..Hα-helixtrans-78.8-13.6176.9-70.6169.6000112.8K528 Q529 R530 R536K528-L532 HydrophobicContact CG-CD1 4.39Å; K528-L532 VanDerWaalsContact O-CD1 3.31Å; K528-L532 WeakPolarHBondContact O-CD1 3.38Å; K528-L532 VanDerWaalsContact O-CG 3.22Å; K528-L532 WeakPolarHBondContact O-CG 3.15Å; Q529-L532 WeakPolarHBondContact O-CB 3.33Å; Q529-L532 PolarHBondContact O-N 2.86Å; R530-L532 PolarHBondContact O-N 3.26Å; R530-L532 VanDerWaalsContact O-N 3.12Å; L532-R536 WeakPolarHBondContact O-CD 3.43Å; L532-R536 WeakPolarHBondContact O-CG 3.34Å; L532-R536 PolarHBondContact O-N 3.23Å; L532-R536 PolarHBondContact O-NE 3.49Å
533E93.8Very high91.7Very high85 Ų85106.7 Ų106.740%0.39752%0.515SS..Hα-helixtrans-85.1-51.3179.8-74.3155.6-178.100111.3Q529 R530 E531 K535 R536 D537Q529-E533 PolarHBondContact NE2-OE1 2.95Å; Q529-E533 PolarHBondContact O-N 3.18Å; R530-E533 WeakPolarHBondContact O-CB 3.33Å; R530-E533 PolarHBondContact O-N 3.13Å; E531-E533 VanDerWaalsContact C-N 3.31Å; E533-K535 PolarHBondContact O-N 3.39Å; E533-R536 WeakPolarHBondContact O-CA 3.49Å; E533-R536 WeakPolarHBondContact O-CB 3.06Å; E533-R536 PolarHBondContact O-N 3.09Å; E533-R536 IonicContact OE1-NH1 2.7Å; E533-D537 PolarHBondContact O-N 3.39Å; E533-D537 VanDerWaalsContact O-N 3.13Å
534E94.3Very high92.4Very high131 Ų131103.7 Ų103.761%0.61250%0.501SS*.Hα-helixtrans-54.2-39.8172.4-63.4168.3-176.900111.8R536 D537 A538E534-R536 VanDerWaalsContact C-N 3.33Å; E534-R536 PolarHBondContact O-N 3.06Å; E534-D537 PolarHBondContact O-N 3.03Å; E534-A538 PolarHBondContact O-N 2.96Å
535K94.2Very high92.7Very high107 Ų107102.4 Ų102.447%0.46549%0.492SS..Hα-helixtrans-70.3-24176.4-66.5169.5-159.3165.40112.7E531 E533 I539E531-K535 WeakPolarHBondContact O-CB 2.85Å; E531-K535 WeakPolarHBondContact O-CD 3.15Å; E531-K535 VanDerWaalsContact O-CE 3.29Å; E531-K535 WeakPolarHBondContact O-CE 3.46Å; E531-K535 WeakPolarHBondContact O-CG 3.37Å; E531-K535 IonicContact OE2-NZ 2.88Å; E531-K535 PolarHBondContact OE2-NZ 2.87Å; E533-K535 PolarHBondContact O-N 3.39Å; K535-I539 WeakPolarHBondContact O-CD1 3.37Å; K535-I539 WeakPolarHBondContact O-CG1 3Å
536R93.6Very high93.2Very high117 Ų117102.7 Ų102.744%0.44249%0.493SS..Hα-helixtrans-73.9-42.5171.7-75.3158.9-164.2162.68.2111L532 E533 E534 I539 I540L532-R536 WeakPolarHBondContact O-CD 3.43Å; L532-R536 WeakPolarHBondContact O-CG 3.34Å; L532-R536 PolarHBondContact O-N 3.23Å; L532-R536 PolarHBondContact O-NE 3.49Å; E533-R536 WeakPolarHBondContact O-CA 3.49Å; E533-R536 WeakPolarHBondContact O-CB 3.06Å; E533-R536 PolarHBondContact O-N 3.09Å; E533-R536 IonicContact OE1-NH1 2.7Å; E534-R536 VanDerWaalsContact C-N 3.33Å; E534-R536 PolarHBondContact O-N 3.06Å; R536-I539 CarbonylContact O-C 3.48Å; R536-I539 WeakPolarHBondContact O-CA 3.47Å; R536-I539 WeakPolarHBondContact O-CB 3.45Å; R536-I539 PolarHBondContact O-N 3.23Å; R536-I539 VanDerWaalsContact O-N 3.16Å; R536-I540 WeakPolarHBondContact O-CG1 3.45Å; R536-I540 PolarHBondContact O-N 3.44Å
537D93.7Very high93.1Very high106 Ų106101.1 Ų101.157%0.56749%0.489SS*.Hα-helixtrans-67.6-43.6-173.8-66.4-19.1000112.6E533 E534 I539 I540 N541E533-D537 PolarHBondContact O-N 3.39Å; E533-D537 VanDerWaalsContact O-N 3.13Å; E534-D537 PolarHBondContact O-N 3.03Å; D537-I539 PolarHBondContact O-N 3.45Å; D537-I540 WeakPolarHBondContact O-CB 3.35Å; D537-I540 PolarHBondContact O-N 3.32Å; D537-N541 PolarHBondContact O-N 3.46Å
538A95.1Very high93.3Very high70 Ų70101.9 Ų101.958%0.57949%0.487SS*.Hα-helixtrans-58.2-38.2172.200000112.2E534 I540 D542E534-A538 PolarHBondContact O-N 2.96Å; A538-I540 VanDerWaalsContact C-N 3.32Å; A538-I540 PolarHBondContact O-N 3.33Å; A538-D542 PolarHBondContact O-N 3.23Å
539I93.5Very high93.6Very high89 Ų8999 Ų9946%0.45648%0.481SS..Hα-helixtrans-70.3-25.7176.4-72.6175.7000112.1K535 R536 D537 K543K535-I539 WeakPolarHBondContact O-CD1 3.37Å; K535-I539 WeakPolarHBondContact O-CG1 3Å; R536-I539 CarbonylContact O-C 3.48Å; R536-I539 WeakPolarHBondContact O-CA 3.47Å; R536-I539 WeakPolarHBondContact O-CB 3.45Å; R536-I539 PolarHBondContact O-N 3.23Å; R536-I539 VanDerWaalsContact O-N 3.16Å; D537-I539 PolarHBondContact O-N 3.45Å; I539-K543 HydrophobicContact CG2-CD 4.18Å; I539-K543 VanDerWaalsContact CG2-CE 3.41Å; I539-K543 VanDerWaalsContact CG2-NZ 3.35Å; I539-K543 VanDerWaalsContact O-CD 3.29Å; I539-K543 WeakPolarHBondContact O-CD 3.18Å; I539-K543 WeakPolarHBondContact O-CG 3.4Å; I539-K543 PolarHBondContact O-N 2.93Å
540I95.2Very high93.7Very high83 Ų8397.6 Ų97.643%0.42648%0.475SS..Hα-helixtrans-73.4-47.1176.5-71.3163.3000110.7R536 D537 A538 D542 K543 E544R536-I540 WeakPolarHBondContact O-CG1 3.45Å; R536-I540 PolarHBondContact O-N 3.44Å; D537-I540 WeakPolarHBondContact O-CB 3.35Å; D537-I540 PolarHBondContact O-N 3.32Å; A538-I540 VanDerWaalsContact C-N 3.32Å; A538-I540 PolarHBondContact O-N 3.33Å; I540-D542 PolarHBondContact O-N 2.85Å; I540-K543 WeakPolarHBondContact O-CB 3.46Å; I540-K543 PolarHBondContact O-N 3.44Å; I540-K543 VanDerWaalsContact O-N 3.15Å; I540-E544 PolarHBondContact O-N 2.9Å
541N95.6Very high93.7Very high89 Ų8995.8 Ų95.848%0.47648%0.477SS..Hα-helixtrans-60.5-44.7178.7-173.9-2.9000112.1D537 K543 E544 Q545D537-N541 PolarHBondContact O-N 3.46Å; N541-K543 VanDerWaalsContact C-N 3.32Å; N541-K543 PolarHBondContact O-N 3.27Å; N541-E544 WeakPolarHBondContact O-CB 3.31Å; N541-E544 PolarHBondContact O-N 3.33Å; N541-E544 VanDerWaalsContact O-N 3.15Å; N541-Q545 WeakPolarHBondContact O-CG 3.12Å; N541-Q545 PolarHBondContact O-N 3.38Å; N541-Q545 PolarHBondContact OD1-NE2 3.02Å
542D95.4Very high93.8Very high67 Ų6796.8 Ų96.836%0.35848%0.482SS..Hα-helixtrans-57.7-41.4173.917072.4000112.8A538 I540 Q545 K546A538-D542 PolarHBondContact O-N 3.23Å; I540-D542 PolarHBondContact O-N 2.85Å; D542-Q545 PolarHBondContact O-N 3.09Å; D542-K546 WeakPolarHBondContact O-CD 3.22Å; D542-K546 WeakPolarHBondContact O-CG 3.18Å; D542-K546 PolarHBondContact O-N 3.48Å; D542-K546 VanDerWaalsContact O-N 3.12Å; D542-K546 WeakPolarHBondContact OD1-CE 3.48Å; D542-K546 IonicContact OD1-NZ 3.93Å; D542-K546 PolarHBondContact OD1-NZ 3.18Å; D542-K546 IonicContact OD2-NZ 3.69Å; D542-K546 PolarHBondContact OD2-NZ 3.38Å
543K94.4Very high94Very high122 Ų12294.3 Ų94.353%0.5347%0.469SS..Hα-helixtrans-63.9-41.6174.8-74165.5-175.9169.10111.9I539 I540 N541 K546 T547I539-K543 HydrophobicContact CG2-CD 4.18Å; I539-K543 VanDerWaalsContact CG2-CE 3.41Å; I539-K543 VanDerWaalsContact CG2-NZ 3.35Å; I539-K543 VanDerWaalsContact O-CD 3.29Å; I539-K543 WeakPolarHBondContact O-CD 3.18Å; I539-K543 WeakPolarHBondContact O-CG 3.4Å; I539-K543 PolarHBondContact O-N 2.93Å; I540-K543 WeakPolarHBondContact O-CB 3.46Å; I540-K543 PolarHBondContact O-N 3.44Å; I540-K543 VanDerWaalsContact O-N 3.15Å; N541-K543 VanDerWaalsContact C-N 3.32Å; N541-K543 PolarHBondContact O-N 3.27Å; K543-K546 PolarHBondContact O-N 2.93Å; K543-T547 WeakPolarHBondContact O-CG2 3.49Å; K543-T547 PolarHBondContact O-N 3.19Å; K543-T547 PolarHBondContact O-OG1 3.43Å
544E94.9Very high94Very high91 Ų9193.7 Ų93.743%0.42547%0.468SS..Hα-helixtrans-62.5-41.7176.8-78.7-167.2-150.300113.2I540 N541 K546 T547 K548I540-E544 PolarHBondContact O-N 2.9Å; N541-E544 WeakPolarHBondContact O-CB 3.31Å; N541-E544 PolarHBondContact O-N 3.33Å; N541-E544 VanDerWaalsContact O-N 3.15Å; E544-K546 VanDerWaalsContact C-N 3.31Å; E544-K546 PolarHBondContact O-N 3.42Å; E544-T547 WeakPolarHBondContact CA-OG1 3.47Å; E544-T547 PolarHBondContact O-N 3.05Å; E544-T547 PolarHBondContact O-OG1 2.84Å; E544-K548 WeakPolarHBondContact O-CB 3.4Å; E544-K548 WeakPolarHBondContact O-CD 3.37Å; E544-K548 WeakPolarHBondContact O-CG 3.39Å; E544-K548 PolarHBondContact O-N 2.88Å; E544-K548 IonicContact OE2-NZ 2.68Å; E544-K548 PolarHBondContact OE2-NZ 2.98Å
545Q95.4Very high93.9Very high110 Ų11091 Ų9151%0.51446%0.46SS..Hα-helixtrans-63.5-42177-66.117830.100110.4N541 D542 K548 V549N541-Q545 WeakPolarHBondContact O-CG 3.12Å; N541-Q545 PolarHBondContact O-N 3.38Å; N541-Q545 PolarHBondContact OD1-NE2 3.02Å; D542-Q545 PolarHBondContact O-N 3.09Å; Q545-K548 PolarHBondContact O-N 2.94Å; Q545-V549 WeakPolarHBondContact O-CG2 3.36Å; Q545-V549 PolarHBondContact O-N 3.4Å
546K91.9Very high93.8Very high114 Ų11490.6 Ų90.650%0.49646%0.456SS..Hα-helixtrans-65-38.1176.2-73.3165.1178.9164.20113D542 K543 E544 L550D542-K546 WeakPolarHBondContact O-CD 3.22Å; D542-K546 WeakPolarHBondContact O-CG 3.18Å; D542-K546 PolarHBondContact O-N 3.48Å; D542-K546 VanDerWaalsContact O-N 3.12Å; D542-K546 WeakPolarHBondContact OD1-CE 3.48Å; D542-K546 IonicContact OD1-NZ 3.93Å; D542-K546 PolarHBondContact OD1-NZ 3.18Å; D542-K546 IonicContact OD2-NZ 3.69Å; D542-K546 PolarHBondContact OD2-NZ 3.38Å; K543-K546 PolarHBondContact O-N 2.93Å; E544-K546 VanDerWaalsContact C-N 3.31Å; E544-K546 PolarHBondContact O-N 3.42Å; K546-L550 WeakPolarHBondContact O-CB 3.32Å; K546-L550 VanDerWaalsContact O-CG 3.26Å; K546-L550 WeakPolarHBondContact O-CG 3.39Å; K546-L550 PolarHBondContact O-N 2.94Å; K546-L550 VanDerWaalsContact O-N 3.12Å
547T91.5Very high93.8Very high83 Ų8385.1 Ų85.151%0.50944%0.435SS..Hα-helixtrans-71-38.4175.754.70000112.5K543 E544 V549 L550 L551K543-T547 WeakPolarHBondContact O-CG2 3.49Å; K543-T547 PolarHBondContact O-N 3.19Å; K543-T547 PolarHBondContact O-OG1 3.43Å; E544-T547 WeakPolarHBondContact CA-OG1 3.47Å; E544-T547 PolarHBondContact O-N 3.05Å; E544-T547 PolarHBondContact O-OG1 2.84Å; T547-V549 PolarHBondContact O-N 3.34Å; T547-L550 PolarHBondContact O-N 3.01Å; T547-L551 WeakPolarHBondContact O-CB 3.47Å; T547-L551 PolarHBondContact O-N 3.34Å
548K95.1Very high93.7Very high124 Ų12481.7 Ų81.754%0.53943%0.425SS..Hα-helixtrans-56.8-49.4174.8-72.1160.4-167.4164.40111.3E544 Q545 L551 E552E544-K548 WeakPolarHBondContact O-CB 3.4Å; E544-K548 WeakPolarHBondContact O-CD 3.37Å; E544-K548 WeakPolarHBondContact O-CG 3.39Å; E544-K548 PolarHBondContact O-N 2.88Å; E544-K548 IonicContact OE2-NZ 2.68Å; E544-K548 PolarHBondContact OE2-NZ 2.98Å; Q545-K548 PolarHBondContact O-N 2.94Å; K548-L551 PolarHBondContact O-N 3.45Å; K548-E552 PolarHBondContact O-N 3.31Å
549V94Very high93.6Very high83 Ų8385.3 Ų85.350%0.50343%0.427SS..Hα-helixtrans-62.5-45.7176.4174.50000112.2Q545 T547 L551 E552 L553Q545-V549 WeakPolarHBondContact O-CG2 3.36Å; Q545-V549 PolarHBondContact O-N 3.4Å; T547-V549 PolarHBondContact O-N 3.34Å; V549-L551 VanDerWaalsContact C-N 3.26Å; V549-L551 PolarHBondContact O-N 2.95Å; V549-E552 PolarHBondContact O-N 3.47Å; V549-L553 HydrophobicContact CG1-CD1 4.2Å; V549-L553 HydrophobicContact CG1-CG 4.49Å; V549-L553 WeakPolarHBondContact O-CG 3.37Å; V549-L553 PolarHBondContact O-N 2.67Å; V549-L553 VanDerWaalsContact O-N 3.11Å
550L92Very high93.5Very high40 Ų4082.8 Ų82.821%0.20941%0.414CS..Hα-helixtrans-61.8-34.2178.9-74.5169.3000112.8A312 I315 K546 T547 L554A312-L550 HydrophobicContact CB-CD1 3.68Å; A312-L550 HydrophobicContact CB-CD2 3.85Å; A312-L550 HydrophobicContact CB-CG 4.44Å; I315-L550 HydrophobicContact CB-CD2 4.21Å; I315-L550 HydrophobicContact CD1-CD2 4.22Å; I315-L550 HydrophobicContact CG2-CD2 4.06Å; K546-L550 WeakPolarHBondContact O-CB 3.32Å; K546-L550 VanDerWaalsContact O-CG 3.26Å; K546-L550 WeakPolarHBondContact O-CG 3.39Å; K546-L550 PolarHBondContact O-N 2.94Å; K546-L550 VanDerWaalsContact O-N 3.12Å; T547-L550 PolarHBondContact O-N 3.01Å; L550-L554 WeakPolarHBondContact O-CB 3.43Å; L550-L554 PolarHBondContact O-N 2.95Å
551L92.2Very high93.4Very high119 Ų11983.9 Ų83.962%0.62341%0.413SS*.Hα-helixtrans-70.8-42.2178.8-164.8144.9000111.4T547 K548 V549 L554 T555T547-L551 WeakPolarHBondContact O-CB 3.47Å; T547-L551 PolarHBondContact O-N 3.34Å; K548-L551 PolarHBondContact O-N 3.45Å; V549-L551 VanDerWaalsContact C-N 3.26Å; V549-L551 PolarHBondContact O-N 2.95Å; L551-L554 WeakPolarHBondContact O-CB 3.43Å; L551-L554 PolarHBondContact O-N 2.92Å; L551-T555 WeakPolarHBondContact O-CG2 3.47Å; L551-T555 PolarHBondContact O-N 2.87Å; L551-T555 VanDerWaalsContact O-N 3.12Å
552E94.5Very high93.2Very high129 Ų12982.6 Ų82.660%0.60341%0.41SS*.Hα-helixtrans-57.9-50.1172.9-167.1-160.2147.600111.4K548 V549 L554 T555 R556K548-E552 PolarHBondContact O-N 3.31Å; V549-E552 PolarHBondContact O-N 3.47Å; E552-L554 PolarHBondContact O-N 3.44Å; E552-T555 PolarHBondContact O-N 3.34Å; E552-T555 PolarHBondContact O-OG1 3.14Å; E552-R556 PolarHBondContact O-N 3.34Å
553L94.4Very high92.9Very high21 Ų2183.9 Ų83.911%0.1142%0.421CS..Hα-helixtrans-57-38.4176.6-65.6176.5000111.8I315 L316 W319 V549 T555 R556 I557I315-L553 HydrophobicContact CG2-CB 3.92Å; I315-L553 HydrophobicContact CG2-CD1 4.49Å; L316-L553 HydrophobicContact CD2-CD1 3.71Å; W319-L553 HydrophobicContact CB-CD2 4.44Å; W319-L553 HydrophobicContact CD2-CD2 3.79Å; W319-L553 HydrophobicContact CG-CD2 3.7Å; W319-L553 HydrophobicContact CZ2-CD2 4.49Å; V549-L553 HydrophobicContact CG1-CD1 4.2Å; V549-L553 HydrophobicContact CG1-CG 4.49Å; V549-L553 WeakPolarHBondContact O-CG 3.37Å; V549-L553 PolarHBondContact O-N 2.67Å; V549-L553 VanDerWaalsContact O-N 3.11Å; L553-T555 PolarHBondContact O-N 2.84Å; L553-R556 PolarHBondContact O-N 3.5Å; L553-I557 WeakPolarHBondContact O-CB 3.35Å; L553-I557 VanDerWaalsContact O-CG1 3.3Å; L553-I557 WeakPolarHBondContact O-CG1 3.25Å; L553-I557 PolarHBondContact O-N 3.11Å
554L92Very high92.6Very high73 Ų7384.4 Ų84.438%0.38242%0.423SS..Hα-helixtrans-62.2-40.4175.8-152.488.3000111.9I315 L550 L551 E552 R556 I557 G558I315-L554 HydrophobicContact CD1-CD1 3.8Å; I315-L554 HydrophobicContact CG1-CD1 3.96Å; L550-L554 WeakPolarHBondContact O-CB 3.43Å; L550-L554 PolarHBondContact O-N 2.95Å; L551-L554 WeakPolarHBondContact O-CB 3.43Å; L551-L554 PolarHBondContact O-N 2.92Å; E552-L554 PolarHBondContact O-N 3.44Å; L554-R556 PolarHBondContact O-N 2.89Å; L554-I557 PolarHBondContact O-N 2.78Å; L554-G558 PolarHBondContact O-N 2.9Å
555T93.4Very high92.3Very high73 Ų7384.7 Ų84.745%0.44843%0.431SS..Hα-helixtrans-63.8-40.1176.3750000112L551 E552 L553 G558 K559L551-T555 WeakPolarHBondContact O-CG2 3.47Å; L551-T555 PolarHBondContact O-N 2.87Å; L551-T555 VanDerWaalsContact O-N 3.12Å; E552-T555 PolarHBondContact O-N 3.34Å; E552-T555 PolarHBondContact O-OG1 3.14Å; L553-T555 PolarHBondContact O-N 2.84Å; T555-G558 PolarHBondContact O-N 3.27Å; T555-K559 PolarHBondContact O-N 3.42Å
556R92.7Very high92Very high100 Ų10083.9 Ų83.938%0.37743%0.429SS..Hα-helixtrans-69.4-42.9178.2-168.5170.1-176.4133.71.4111.5E326 E552 L553 L554 G558 K559 H560E326-R556 IonicContact OE1-CZ 3.59Å; E326-R556 IonicContact OE1-NE 3.58Å; E326-R556 IonicContact OE1-NH2 2.81Å; E326-R556 PolarHBondContact OE1-NH2 3.01Å; E326-R556 IonicContact OE2-CZ 3.91Å; E326-R556 IonicContact OE2-NE 2.78Å; E326-R556 IonicContact OE2-NH2 3.74Å; E326-R556 PolarHBondContact OE2-NH2 3.49Å; E552-R556 PolarHBondContact O-N 3.34Å; L553-R556 PolarHBondContact O-N 3.5Å; L554-R556 PolarHBondContact O-N 2.89Å; R556-G558 VanDerWaalsContact C-N 3.27Å; R556-G558 PolarHBondContact O-N 3.33Å; R556-K559 PolarHBondContact O-N 2.92Å; R556-H560 PolarHBondContact O-CD2 2.87Å; R556-H560 PolarHBondContact O-N 2.59Å; R556-H560 VanDerWaalsContact O-N 3.16Å
557I93Very high91.7Very high2 Ų280.8 Ų80.81%0.0143%0.425CS..Hα-helixtrans-54.9-43.8169.7-74.1166.3000110.9I315 E318 W319 Y322 L553 L554 K559 H560 R561I315-I557 HydrophobicContact CG2-CD1 3.81Å; I315-I557 WeakPolarHBondContact O-CD1 3.45Å; E318-I557 HydrophobicContact CB-CD1 4.24Å; E318-I557 HydrophobicContact CG-CD1 4.36Å; E318-I557 HydrophobicContact CG-CG1 4.3Å; E318-I557 HydrophobicContact CG-CG2 4.17Å; W319-I557 HydrophobicContact CB-CD1 4.07Å; W319-I557 HydrophobicContact CB-CG1 4.19Å; Y322-I557 HydrophobicContact CD2-CG1 4.29Å; Y322-I557 HydrophobicContact CE2-CG1 4.48Å; Y322-I557 HydrophobicContact CE2-CG2 4.26Å; L553-I557 WeakPolarHBondContact O-CB 3.35Å; L553-I557 VanDerWaalsContact O-CG1 3.3Å; L553-I557 WeakPolarHBondContact O-CG1 3.25Å; L553-I557 PolarHBondContact O-N 3.11Å; L554-I557 PolarHBondContact O-N 2.78Å; I557-K559 VanDerWaalsContact C-N 3.34Å; I557-K559 PolarHBondContact O-N 3.49Å; I557-H560 PolarHBondContact O-N 3.02Å; I557-R561 HydrophobicContact CG2-CG 4.16Å; I557-R561 VanDerWaalsContact CG2-NE 3.32Å; I557-R561 WeakPolarHBondContact O-CG 3.33Å; I557-R561 PolarHBondContact O-N 3.44Å
558G90.8Very high91.4Very high34 Ų3479.2 Ų79.235%0.35142%0.42SS..Hα-helixtrans-55.5-45.4176.300000113.2L554 T555 R556 H560 R561 S562L554-G558 PolarHBondContact O-N 2.9Å; T555-G558 PolarHBondContact O-N 3.27Å; R556-G558 VanDerWaalsContact C-N 3.27Å; R556-G558 PolarHBondContact O-N 3.33Å; G558-H560 PolarHBondContact O-N 3.28Å; G558-R561 PolarHBondContact O-N 3.11Å; G558-S562 PolarHBondContact O-N 3.28Å
559K92.8Very high90.8Very high145 Ų14575.9 Ų75.963%0.6342%0.416SS*.Hα-helixtrans-62.2-40.2175.9-65.2173.3-175.8178.50112.4T555 R556 I557 S562 V563T555-K559 PolarHBondContact O-N 3.42Å; R556-K559 PolarHBondContact O-N 2.92Å; I557-K559 VanDerWaalsContact C-N 3.34Å; I557-K559 PolarHBondContact O-N 3.49Å; K559-S562 PolarHBondContact O-OG 3.28Å; K559-V563 WeakPolarHBondContact O-CG2 3.3Å; K559-V563 PolarHBondContact O-N 3.34Å
560H92.7Very high90.1Very high37 Ų3780.2 Ų80.217%0.17142%0.423CS..Hα-helixtrans-70.7-36.6175.2-63.4-65.5000113Y322 E326 R556 I557 G558 K564Y322-H560 VanDerWaalsContact CB-CD2 3.48Å; Y322-H560 WeakPolarHBondContact CB-CD2 3.47Å; Y322-H560 HydrophobicContact CD1-CB 3.45Å; Y322-H560 VanDerWaalsContact CD1-CB 3.45Å; Y322-H560 AromaticContact CD1-CG 3.73Å; Y322-H560 HydrophobicContact CD2-CB 3.74Å; Y322-H560 AromaticContact CD2-CD2 3.81Å; Y322-H560 AromaticContact CD2-CG 3.97Å; Y322-H560 HydrophobicContact CE1-CB 3.53Å; Y322-H560 HydrophobicContact CE2-CB 3.77Å; Y322-H560 HydrophobicContact CG-CB 3.6Å; Y322-H560 AromaticContact CG-CD2 3.6Å; Y322-H560 AromaticContact CG-CG 3.57Å; E326-H560 IonicContact OE1-CE1 3.57Å; E326-H560 PolarHBondContact OE1-CE1 3.27Å; E326-H560 VanDerWaalsContact OE1-CE1 3.27Å; E326-H560 IonicContact OE1-NE2 2.84Å; R556-H560 PolarHBondContact O-CD2 2.87Å; R556-H560 PolarHBondContact O-N 2.59Å; R556-H560 VanDerWaalsContact O-N 3.16Å; I557-H560 PolarHBondContact O-N 3.02Å; G558-H560 PolarHBondContact O-N 3.28Å; H560-K564 WeakPolarHBondContact O-CB 3.37Å; H560-K564 PolarHBondContact O-N 3.49Å
561R92.1Very high89.4Confident106 Ų10685.2 Ų85.240%0.444%0.443SS..Hα-helixtrans-63-44.2176.6-74.4175.5176.9-173.92.8111.5E318 I557 G558 K564 T565E318-R561 IonicContact OE1-CZ 3.69Å; E318-R561 IonicContact OE1-NE 2.91Å; E318-R561 PolarHBondContact OE1-NE 2.93Å; E318-R561 IonicContact OE1-NH2 2.91Å; E318-R561 IonicContact OE2-CZ 2.71Å; E318-R561 IonicContact OE2-NE 3.4Å; E318-R561 PolarHBondContact OE2-NE 2.98Å; E318-R561 IonicContact OE2-NH2 3.13Å; E318-R561 PolarHBondContact OE2-NH2 3Å; I557-R561 HydrophobicContact CG2-CG 4.16Å; I557-R561 VanDerWaalsContact CG2-NE 3.32Å; I557-R561 WeakPolarHBondContact O-CG 3.33Å; I557-R561 PolarHBondContact O-N 3.44Å; G558-R561 PolarHBondContact O-N 3.11Å; R561-K564 PolarHBondContact O-N 2.78Å; R561-T565 PolarHBondContact O-N 3.35Å; R561-T565 PolarHBondContact O-OG1 3.46Å; R561-T565 VanDerWaalsContact O-OG1 3.1Å
562S92Very high88.5Confident61 Ų6186.9 Ų86.943%0.42745%0.449SS..Hα-helixtrans-64.4-45.7177.562.10000112.3G558 K559 K564 T565 I566G558-S562 PolarHBondContact O-N 3.28Å; K559-S562 PolarHBondContact O-OG 3.28Å; S562-K564 VanDerWaalsContact C-N 3.31Å; S562-K564 PolarHBondContact O-N 2.79Å; S562-T565 PolarHBondContact O-N 3.25Å; S562-T565 VanDerWaalsContact O-N 3.16Å; S562-I566 WeakPolarHBondContact O-CG1 3.07Å; S562-I566 PolarHBondContact O-N 3.47Å
563V89.1Confident87.5Confident95 Ų9585 Ų8558%0.57645%0.447SS*.Hα-helixtrans-57.9-42.8174.1171.80000111.5K559 I566 A567K559-V563 WeakPolarHBondContact O-CG2 3.3Å; K559-V563 PolarHBondContact O-N 3.34Å; V563-I566 PolarHBondContact O-N 3.19Å; V563-A567 WeakPolarHBondContact O-CB 3.49Å; V563-A567 PolarHBondContact O-N 3.48Å
564K88.1Confident86.2Confident133 Ų13387.9 Ų87.958%0.57846%0.462SS*.Hα-helixtrans-62-43.1175.9-173.9-168.5175-164.80112H560 R561 S562 A567 A568H560-K564 WeakPolarHBondContact O-CB 3.37Å; H560-K564 PolarHBondContact O-N 3.49Å; R561-K564 PolarHBondContact O-N 2.78Å; S562-K564 VanDerWaalsContact C-N 3.31Å; S562-K564 PolarHBondContact O-N 2.79Å; K564-A567 PolarHBondContact O-N 2.79Å; K564-A568 WeakPolarHBondContact O-CB 3.44Å; K564-A568 PolarHBondContact O-N 3.22Å
565T88.1Confident84.6Confident96 Ų9689 Ų8959%0.58947%0.468SS*.Hα-helixtrans-63.7-44.5177.1-61.10000111.5R561 S562 A567 A568 A569R561-T565 PolarHBondContact O-N 3.35Å; R561-T565 PolarHBondContact O-OG1 3.46Å; R561-T565 VanDerWaalsContact O-OG1 3.1Å; S562-T565 PolarHBondContact O-N 3.25Å; S562-T565 VanDerWaalsContact O-N 3.16Å; T565-A567 PolarHBondContact O-N 2.9Å; T565-A568 PolarHBondContact O-N 2.93Å; T565-A569 WeakPolarHBondContact O-CB 3.49Å; T565-A569 PolarHBondContact O-N 3.44Å
566I88.5Confident82.9Confident93 Ų9387.2 Ų87.248%0.47747%0.465SS..Hα-helixtrans-62.1-43.8176.6-65.9162.1000110.9S562 V563 A569 R570S562-I566 WeakPolarHBondContact O-CG1 3.07Å; S562-I566 PolarHBondContact O-N 3.47Å; V563-I566 PolarHBondContact O-N 3.19Å; I566-A569 PolarHBondContact O-N 3.4Å; I566-R570 WeakPolarHBondContact O-CG 3.42Å; I566-R570 PolarHBondContact O-N 2.92Å
567A86.1Confident81Confident50 Ų5088.3 Ų88.341%0.41348%0.475SS..Hα-helixtrans-66.7-34.9177.200000112.9V563 K564 T565 K571V563-A567 WeakPolarHBondContact O-CB 3.49Å; V563-A567 PolarHBondContact O-N 3.48Å; K564-A567 PolarHBondContact O-N 2.79Å; T565-A567 PolarHBondContact O-N 2.9Å; A567-K571 WeakPolarHBondContact O-CG 3.33Å; A567-K571 PolarHBondContact O-N 3.12Å; A567-K571 VanDerWaalsContact O-N 3.1Å
568A84.9Confident78.9Confident50 Ų5091.9 Ų91.941%0.41349%0.494SS..Hα-helixtrans-68.5-44.3173.900000111.7K564 T565 K571 M572K564-A568 WeakPolarHBondContact O-CB 3.44Å; K564-A568 PolarHBondContact O-N 3.22Å; T565-A568 PolarHBondContact O-N 2.93Å; A568-K571 PolarHBondContact O-N 2.87Å; A568-M572 PolarHBondContact O-N 3.1Å
569A83.5Confident76.8Confident53 Ų5393.9 Ų93.944%0.43850%0.499SS..Hα-helixtrans-59.3-47.4175.800000111.6T565 I566 K571 M572 V573T565-A569 WeakPolarHBondContact O-CB 3.49Å; T565-A569 PolarHBondContact O-N 3.44Å; I566-A569 PolarHBondContact O-N 3.4Å; A569-K571 PolarHBondContact O-N 2.94Å; A569-M572 PolarHBondContact O-N 2.84Å; A569-M572 VanDerWaalsContact O-N 3.08Å; A569-V573 PolarHBondContact O-N 3Å; A569-V573 VanDerWaalsContact O-N 3.1Å
570R79.3Confident74.6Confident174 Ų17494.2 Ų94.266%0.65751%0.507SS*.Hα-helixtrans-55.1-48.4172.9-73.9179.9178.8-176.2-1.2111.6I566 M572 V573 N574I566-R570 WeakPolarHBondContact O-CG 3.42Å; I566-R570 PolarHBondContact O-N 2.92Å; R570-M572 VanDerWaalsContact C-N 3.27Å; R570-M572 PolarHBondContact O-N 3.32Å; R570-V573 PolarHBondContact O-N 2.86Å; R570-V573 VanDerWaalsContact O-N 3.08Å; R570-N574 PolarHBondContact O-N 3.38Å; R570-N574 PolarHBondContact O-OD1 3.07Å
571K77.2Confident72.4Confident146 Ų14698.2 Ų98.264%0.63553%0.528SS*.Hα-helixtrans-60.4-31.5176.4-76.8-172.6174.4-166.10114A567 A568 A569 N575A567-K571 WeakPolarHBondContact O-CG 3.33Å; A567-K571 PolarHBondContact O-N 3.12Å; A567-K571 VanDerWaalsContact O-N 3.1Å; A568-K571 PolarHBondContact O-N 2.87Å; A569-K571 PolarHBondContact O-N 2.94Å; K571-N575 WeakPolarHBondContact O-CB 3.32Å; K571-N575 PolarHBondContact O-N 3.03Å; K571-N575 PolarHBondContact O-OD1 2.66Å
572M73.1Confident70.2Confident153 Ų15399 Ų9975%0.75454%0.541SS*.Hα-helixtrans-72.5-33.6174.9-68.7-174.171.500112.6A568 A569 R570 G576A568-M572 PolarHBondContact O-N 3.1Å; A569-M572 PolarHBondContact O-N 2.84Å; A569-M572 VanDerWaalsContact O-N 3.08Å; R570-M572 VanDerWaalsContact C-N 3.27Å; R570-M572 PolarHBondContact O-N 3.32Å; M572-G576 PolarHBondContact O-N 2.96Å
573V73.6Confident67.9Low90 Ų90100.1 Ų100.155%0.54554%0.542SS..Hα-helixtrans-67.1-57.4171.61770000110.4A569 R570 N575 G576 E577A569-V573 PolarHBondContact O-N 3Å; A569-V573 VanDerWaalsContact O-N 3.1Å; R570-V573 PolarHBondContact O-N 2.86Å; R570-V573 VanDerWaalsContact O-N 3.08Å; V573-N575 VanDerWaalsContact C-N 3.33Å; V573-N575 PolarHBondContact O-N 3.32Å; V573-G576 WeakPolarHBondContact O-CA 3.39Å; V573-G576 PolarHBondContact O-N 2.68Å; V573-E577 PolarHBondContact O-N 3.48Å
574N66.5Low66Low82 Ų82100.1 Ų100.144%0.43955%0.545SS..Hα-helixtrans-55.4-43.9178.8-73.176.4000112.4R570 G576 E577 D578R570-N574 PolarHBondContact O-N 3.38Å; R570-N574 PolarHBondContact O-OD1 3.07Å; N574-G576 PolarHBondContact O-N 2.88Å; N574-E577 PolarHBondContact O-N 3.35Å; N574-E577 VanDerWaalsContact O-N 3.1Å; N574-D578 PolarHBondContact O-N 2.97Å
575N59.8Low64.4Low95 Ų95101.4 Ų101.451%0.50855%0.55SS.*Hα-helixtrans-64.3-26.9176.3-73.77.4000112.6K571 V573 E577 T579K571-N575 WeakPolarHBondContact O-CB 3.32Å; K571-N575 PolarHBondContact O-N 3.03Å; K571-N575 PolarHBondContact O-OD1 2.66Å; V573-N575 VanDerWaalsContact C-N 3.33Å; V573-N575 PolarHBondContact O-N 3.32Å; N575-E577 VanDerWaalsContact C-N 3.35Å; N575-T579 VanDerWaalsContact O-CB 3.3Å; N575-T579 WeakPolarHBondContact O-CB 3.46Å; N575-T579 VanDerWaalsContact O-CG2 3.22Å; N575-T579 WeakPolarHBondContact O-CG2 3.06Å; N575-T579 PolarHBondContact O-N 3.08Å; N575-T579 PolarHBondContact O-OG1 3.44Å
576G56.2Low62.9Low37 Ų3799.7 Ų99.738%0.38154%0.54SS..Hα-helixtrans-67.3-36173.300000112.4M572 V573 N574 T579M572-G576 PolarHBondContact O-N 2.96Å; V573-G576 WeakPolarHBondContact O-CA 3.39Å; V573-G576 PolarHBondContact O-N 2.68Å; N574-G576 PolarHBondContact O-N 2.88Å; G576-T579 PolarHBondContact O-OG1 3.21Å
577E53.9Low61.7Low123 Ų12398.3 Ų98.358%0.57554%0.536SS*.Hα-helixtrans-76-49.6175.2-62.1170158.800110.6V573 N574 N575 T579 L580V573-E577 PolarHBondContact O-N 3.48Å; N574-E577 PolarHBondContact O-N 3.35Å; N574-E577 VanDerWaalsContact O-N 3.1Å; N575-E577 VanDerWaalsContact C-N 3.35Å; E577-T579 PolarHBondContact O-N 3.39Å; E577-L580 PolarHBondContact O-N 3.23Å; E577-L580 VanDerWaalsContact O-N 3.1Å
578D48.7Very low60.7Low77 Ų77102.6 Ų102.641%0.41255%0.545SS..Hα-helixtrans-61.6-26178.3-80-36.7000113.5N574 L580 I581 N582N574-D578 PolarHBondContact O-N 2.97Å; D578-L580 VanDerWaalsContact C-N 3.34Å; D578-I581 PolarHBondContact O-N 3.27Å; D578-N582 WeakPolarHBondContact O-CB 3.4Å; D578-N582 PolarHBondContact O-N 2.92Å; D578-N582 PolarHBondContact O-ND2 3.07Å
579T46.7Very low59.8Low75 Ų75105.9 Ų105.946%0.4655%0.552SS.*Hα-helixtrans-78-13.3177.3460000114N575 G576 E577 N583N575-T579 VanDerWaalsContact O-CB 3.3Å; N575-T579 WeakPolarHBondContact O-CB 3.46Å; N575-T579 VanDerWaalsContact O-CG2 3.22Å; N575-T579 WeakPolarHBondContact O-CG2 3.06Å; N575-T579 PolarHBondContact O-N 3.08Å; N575-T579 PolarHBondContact O-OG1 3.44Å; G576-T579 PolarHBondContact O-OG1 3.21Å; E577-T579 PolarHBondContact O-N 3.39Å; T579-N583 PolarHBondContact O-ND2 3.31Å
580L46.6Very low59Low152 Ų152106.7 Ų106.780%0.79655%0.547SS*.Hα-helixtrans-72.8-36.3163.5-93.668.5000111.1E577 D578E577-L580 PolarHBondContact O-N 3.23Å; E577-L580 VanDerWaalsContact O-N 3.1Å; D578-L580 VanDerWaalsContact C-N 3.34Å
581I46.7Very low58.7Low121 Ų12198.8 Ų98.862%0.62152%0.517SS*.Hα-helixtrans-86.1-47.8-172.8-57177.1000111.7D578 N583D578-I581 PolarHBondContact O-N 3.27Å; I581-N583 VanDerWaalsContact C-N 3.26Å; I581-N583 PolarHBondContact O-N 3.26Å
582N44.7Very low58.4Low124 Ų12493.8 Ų93.866%0.66350%0.495SS*.SBendtrans-813.6-173.7-76.1-66.9000114.7D578 C584D578-N582 WeakPolarHBondContact O-CB 3.4Å; D578-N582 PolarHBondContact O-N 2.92Å; D578-N582 PolarHBondContact O-ND2 3.07Å; N582-C584 PolarHBondContact O-N 3Å; N582-C584 VanDerWaalsContact O-N 3.12Å
583N45.2Very low58.4Low84 Ų8492.6 Ų92.645%0.44949%0.485SS..  trans-82.234.6173-97.5-68.4000113.4T579 I581 K585T579-N583 PolarHBondContact O-ND2 3.31Å; I581-N583 VanDerWaalsContact C-N 3.26Å; I581-N583 PolarHBondContact O-N 3.26Å; N583-K585 PolarHBondContact O-N 2.99Å; N583-K585 WeakPolarHBondContact OD1-CE 3.48Å; N583-K585 PolarHBondContact OD1-NZ 3.2Å
584C48.1Very low58.4Low95 Ų9593.8 Ų93.864%0.64249%0.488SS*.  trans-65.466.5164-74.50000111.3N582 V586N582-C584 PolarHBondContact O-N 3Å; N582-C584 VanDerWaalsContact O-N 3.12Å; C584-V586 PolarHBondContact O-N 3.3Å
585K54Low59.1Low159 Ų15990.5 Ų90.569%0.69147%0.471SS*.  trans-70.678169-70170.3179.3156.80108.2N583 T587N583-K585 PolarHBondContact O-N 2.99Å; N583-K585 WeakPolarHBondContact OD1-CE 3.48Å; N583-K585 PolarHBondContact OD1-NZ 3.2Å; K585-T587 WeakPolarHBondContact O-CG2 3.33Å; K585-T587 PolarHBondContact O-N 3.18Å
586V57.7Low60.4Low60 Ų6089.9 Ų89.936%0.36447%0.472SS..  trans-46.4106178.7179.60000108.8L359 C584 E590 I591L359-V586 HydrophobicContact CD1-CG1 4.07Å; C584-V586 PolarHBondContact O-N 3.3Å; V586-E590 WeakPolarHBondContact CA-OE2 3.32Å; V586-E590 HydrophobicContact CG1-CB 4.12Å; V586-I591 HydrophobicContact CG1-CD1 4.49Å; V586-I591 HydrophobicContact CG1-CG1 3.9Å
587T62.6Low61.8Low64 Ų6490.5 Ų90.539%0.39347%0.471SS..  trans-71.5155.1-171.6640000109.2K585 E589 E590 I591K585-T587 WeakPolarHBondContact O-CG2 3.33Å; K585-T587 PolarHBondContact O-N 3.18Å; T587-E589 PolarHBondContact O-N 3.26Å; T587-E589 VanDerWaalsContact O-N 3.11Å; T587-E590 WeakPolarHBondContact CB-OE1 3.32Å; T587-E590 VanDerWaalsContact CG2-OE1 3.26Å; T587-E590 WeakPolarHBondContact CG2-OE1 3.45Å; T587-E590 VanDerWaalsContact N-CD 3.32Å; T587-E590 PolarHBondContact N-OE1 3.43Å; T587-E590 PolarHBondContact O-N 3.2Å; T587-E590 PolarHBondContact OG1-N 2.91Å; T587-E590 PolarHBondContact OG1-OE1 3.33Å; T587-I591 PolarHBondContact O-N 3.36Å
588K65.3Low63.4Low140 Ų14084.7 Ų84.761%0.60944%0.444SS*.Hα-helixtrans-55.7-31.9174.6-68.2-168.4174.6-162.90111.6E366 I591 Y592E366-K588 IonicContact OE1-NZ 3.47Å; K588-I591 PolarHBondContact O-N 3.28Å; K588-Y592 HydrophobicContact CB-CE2 4.23Å; K588-Y592 WeakPolarHBondContact O-CD2 3.43Å; K588-Y592 WeakPolarHBondContact O-CE2 3.46Å; K588-Y592 PolarHBondContact O-N 2.86Å
589E66Low65.2Low119 Ų11984.8 Ų84.856%0.55644%0.442SS*.Hα-helixtrans-63.3-43.1175.5-64-170.9-159.300113.6T587 I591 Y592 K593T587-E589 PolarHBondContact O-N 3.26Å; T587-E589 VanDerWaalsContact O-N 3.11Å; E589-I591 VanDerWaalsContact C-N 3.28Å; E589-I591 PolarHBondContact O-N 3.43Å; E589-Y592 PolarHBondContact O-N 3.14Å; E589-K593 HydrophobicContact CB-CD 4.42Å; E589-K593 WeakPolarHBondContact O-CB 3.42Å; E589-K593 VanDerWaalsContact O-CG 3.25Å; E589-K593 WeakPolarHBondContact O-CG 3.41Å; E589-K593 PolarHBondContact O-N 3.44Å; E589-K593 IonicContact OE2-NZ 3.38Å; E589-K593 PolarHBondContact OE2-NZ 2.95Å
590E67.7Low67.3Low71 Ų7187.7 Ų87.733%0.33245%0.45SS..Hα-helixtrans-61-39.3176.2-71150-116.100111.6V586 T587 Y592 K593 N594V586-E590 WeakPolarHBondContact CA-OE2 3.32Å; V586-E590 HydrophobicContact CG1-CB 4.12Å; T587-E590 WeakPolarHBondContact CB-OE1 3.32Å; T587-E590 VanDerWaalsContact CG2-OE1 3.26Å; T587-E590 WeakPolarHBondContact CG2-OE1 3.45Å; T587-E590 VanDerWaalsContact N-CD 3.32Å; T587-E590 PolarHBondContact N-OE1 3.43Å; T587-E590 PolarHBondContact O-N 3.2Å; T587-E590 PolarHBondContact OG1-N 2.91Å; T587-E590 PolarHBondContact OG1-OE1 3.33Å; E590-Y592 VanDerWaalsContact C-N 3.28Å; E590-Y592 PolarHBondContact O-N 3.47Å; E590-K593 PolarHBondContact O-N 2.95Å; E590-N594 VanDerWaalsContact O-CB 3.28Å; E590-N594 WeakPolarHBondContact O-CB 3.32Å; E590-N594 VanDerWaalsContact O-CG 3.25Å; E590-N594 PolarHBondContact O-N 2.82Å; E590-N594 PolarHBondContact O-ND2 3.16Å
591I72.1Confident69.4Low8 Ų881.7 Ų81.74%0.04142%0.418CS..Hα-helixtrans-60.8-39.1177-55.4175.7000110.6L359 L362 K363 V586 T587 K588 E589 D595 L598L359-I591 HydrophobicContact CD1-CG1 4.38Å; L362-I591 HydrophobicContact CB-CD1 4.07Å; L362-I591 HydrophobicContact CD1-CD1 4.34Å; K363-I591 HydrophobicContact CG-CG2 3.86Å; V586-I591 HydrophobicContact CG1-CD1 4.49Å; V586-I591 HydrophobicContact CG1-CG1 3.9Å; T587-I591 PolarHBondContact O-N 3.36Å; K588-I591 PolarHBondContact O-N 3.28Å; E589-I591 VanDerWaalsContact C-N 3.28Å; E589-I591 PolarHBondContact O-N 3.43Å; I591-D595 VanDerWaalsContact O-CB 3.3Å; I591-D595 WeakPolarHBondContact O-CB 3.26Å; I591-L598 HydrophobicContact CG2-CD1 3.82Å
592Y72.4Confident71.5Confident41 Ų4178.7 Ų78.716%0.16140%0.403CS..Hα-helixtrans-75.9-42174.8-63.1-61.7000113.3E366 R369 K588 E589 E590 N594 D595 L598 Q599 L602E366-Y592 PolarHBondContact OE1-OH 2.85Å; E366-Y592 PolarHBondContact OE2-OH 3.05Å; R369-Y592 PolarHBondContact NH2-OH 3.47Å; K588-Y592 HydrophobicContact CB-CE2 4.23Å; K588-Y592 WeakPolarHBondContact O-CD2 3.43Å; K588-Y592 WeakPolarHBondContact O-CE2 3.46Å; K588-Y592 PolarHBondContact O-N 2.86Å; E589-Y592 PolarHBondContact O-N 3.14Å; E590-Y592 VanDerWaalsContact C-N 3.28Å; E590-Y592 PolarHBondContact O-N 3.47Å; Y592-N594 VanDerWaalsContact C-N 3.26Å; Y592-N594 PolarHBondContact O-N 3.45Å; Y592-D595 PolarHBondContact O-N 3.43Å; Y592-L598 HydrophobicContact CD1-CB 3.9Å; Y592-L598 HydrophobicContact CD1-CD1 4.08Å; Y592-L598 HydrophobicContact CE1-CB 4.37Å; Y592-L598 HydrophobicContact CE1-CD1 4.27Å; Y592-Q599 VanDerWaalsContact O-CG 3.3Å; Y592-Q599 WeakPolarHBondContact O-CG 3.27Å; Y592-Q599 PolarHBondContact O-NE2 3.11Å; Y592-L602 HydrophobicContact CD1-CD1 3.56Å; Y592-L602 HydrophobicContact CE1-CD1 3.9Å; Y592-L602 HydrophobicContact CG-CD1 4.08Å
593K73.2Confident73.7Confident127 Ų12776.9 Ų76.955%0.55239%0.393SS*.Hα-helixtrans-61.3-35.9-179.7-72.6164.7-171.3166.90111.6E589 E590 Q599E589-K593 HydrophobicContact CB-CD 4.42Å; E589-K593 WeakPolarHBondContact O-CB 3.42Å; E589-K593 VanDerWaalsContact O-CG 3.25Å; E589-K593 WeakPolarHBondContact O-CG 3.41Å; E589-K593 PolarHBondContact O-N 3.44Å; E589-K593 IonicContact OE2-NZ 3.38Å; E589-K593 PolarHBondContact OE2-NZ 2.95Å; E590-K593 PolarHBondContact O-N 2.95Å; K593-Q599 PolarHBondContact O-NE2 2.73Å; K593-Q599 VanDerWaalsContact O-NE2 3.14Å
594N73.4Confident75.9Confident115 Ų11578.7 Ų78.762%0.61540%0.395SS*.THydrogen-bonded Turntrans-95.14.4-173.8-61.9-18.9000115.2E590 Y592E590-N594 VanDerWaalsContact O-CB 3.28Å; E590-N594 WeakPolarHBondContact O-CB 3.32Å; E590-N594 VanDerWaalsContact O-CG 3.25Å; E590-N594 PolarHBondContact O-N 2.82Å; E590-N594 PolarHBondContact O-ND2 3.16Å; Y592-N594 VanDerWaalsContact C-N 3.26Å; Y592-N594 PolarHBondContact O-N 3.45Å
595D81Confident78Confident13 Ų1374.9 Ų74.97%0.0737%0.368CS..  trans-137.589.9-172-143.265.4000111.7K363 R367 I591 Y592 S597 L598 Q599K363-D595 WeakPolarHBondContact CD-OD1 3.38Å; K363-D595 VanDerWaalsContact CE-OD1 3.27Å; K363-D595 WeakPolarHBondContact CE-OD1 3.09Å; K363-D595 IonicContact NZ-OD1 2.82Å; K363-D595 PolarHBondContact NZ-OD1 3.28Å; R367-D595 IonicContact CZ-OD2 2.82Å; R367-D595 IonicContact NE-OD2 2.74Å; R367-D595 PolarHBondContact NE-OD2 2.9Å; R367-D595 IonicContact NH2-OD1 3.26Å; R367-D595 PolarHBondContact NH2-OD1 2.83Å; R367-D595 IonicContact NH2-OD2 2.63Å; R367-D595 PolarHBondContact NH2-OD2 3.18Å; I591-D595 VanDerWaalsContact O-CB 3.3Å; I591-D595 WeakPolarHBondContact O-CB 3.26Å; Y592-D595 PolarHBondContact O-N 3.43Å; D595-S597 PolarHBondContact O-N 3.1Å; D595-L598 HydrophobicContact CB-CB 4.43Å; D595-L598 HydrophobicContact CB-CD1 3.96Å; D595-L598 HydrophobicContact CB-CG 4.23Å; D595-L598 WeakPolarHBondContact O-CB 3.39Å; D595-L598 PolarHBondContact O-N 3.38Å; D595-Q599 PolarHBondContact O-N 2.85Å
596P87Confident79.8Confident83 Ų8369.6 Ų69.654%0.53935%0.351SS..Hα-helixtrans-56.3-29.7-173.3-29.136000114.9L598 Q599 Q600P596-L598 VanDerWaalsContact C-N 3.34Å; P596-L598 PolarHBondContact O-N 3.22Å; P596-Q599 PolarHBondContact O-N 3.09Å; P596-Q600 WeakPolarHBondContact O-CG 3.25Å; P596-Q600 PolarHBondContact O-N 2.98Å
597S86Confident81.4Confident50 Ų5072.6 Ų72.635%0.3536%0.359SS..Hα-helixtrans-64.1-34.9175.3176.60000113D595 M601D595-S597 PolarHBondContact O-N 3.1Å; S597-M601 PolarHBondContact O-N 2.94Å
598L86.4Confident82.7Confident0 Ų070.6 Ų70.60%035%0.345CS..Hα-helixtrans-71.1-38174.3-71.5175.7000111.4E366 R367 L370 I591 Y592 D595 P596 M601 L602E366-L598 HydrophobicContact CB-CD1 4.32Å; E366-L598 HydrophobicContact CB-CD2 4.01Å; R367-L598 HydrophobicContact CB-CD2 4.2Å; R367-L598 HydrophobicContact CG-CD2 3.46Å; R367-L598 VanDerWaalsContact CG-CD2 3.46Å; R367-L598 HydrophobicContact CG-CG 4.13Å; L370-L598 HydrophobicContact CD1-CB 4.46Å; L370-L598 HydrophobicContact CD1-CD2 3.76Å; I591-L598 HydrophobicContact CG2-CD1 3.82Å; Y592-L598 HydrophobicContact CD1-CB 3.9Å; Y592-L598 HydrophobicContact CD1-CD1 4.08Å; Y592-L598 HydrophobicContact CE1-CB 4.37Å; Y592-L598 HydrophobicContact CE1-CD1 4.27Å; D595-L598 HydrophobicContact CB-CB 4.43Å; D595-L598 HydrophobicContact CB-CD1 3.96Å; D595-L598 HydrophobicContact CB-CG 4.23Å; D595-L598 WeakPolarHBondContact O-CB 3.39Å; D595-L598 PolarHBondContact O-N 3.38Å; P596-L598 VanDerWaalsContact C-N 3.34Å; P596-L598 PolarHBondContact O-N 3.22Å; L598-M601 HydrophobicContact CD2-CE 4.16Å; L598-M601 PolarHBondContact O-N 3.06Å; L598-L602 WeakPolarHBondContact O-CG 3.33Å; L598-L602 PolarHBondContact O-N 2.87Å
599Q87.2Confident83.9Confident80 Ų8067.1 Ų67.137%0.37433%0.33SS..Hα-helixtrans-62.7-48.7176.1-60.5177.36.900111Y592 K593 D595 P596 M601 L602 D603Y592-Q599 VanDerWaalsContact O-CG 3.3Å; Y592-Q599 WeakPolarHBondContact O-CG 3.27Å; Y592-Q599 PolarHBondContact O-NE2 3.11Å; K593-Q599 PolarHBondContact O-NE2 2.73Å; K593-Q599 VanDerWaalsContact O-NE2 3.14Å; D595-Q599 PolarHBondContact O-N 2.85Å; P596-Q599 PolarHBondContact O-N 3.09Å; Q599-M601 VanDerWaalsContact C-N 3.27Å; Q599-M601 PolarHBondContact O-N 3.12Å; Q599-L602 WeakPolarHBondContact O-CB 3.49Å; Q599-L602 PolarHBondContact O-N 3.37Å; Q599-D603 PolarHBondContact O-N 2.88Å
600Q90.4Very high85Confident136 Ų13665.8 Ų65.864%0.63632%0.324SS*.Hα-helixtrans-57.5-37.9176.6-72174.9-1.700112.9P596 Y604P596-Q600 WeakPolarHBondContact O-CG 3.25Å; P596-Q600 PolarHBondContact O-N 2.98Å; Q600-Y604 WeakPolarHBondContact O-CB 3.49Å; Q600-Y604 PolarHBondContact O-N 3.12Å
601M90.4Very high85.9Confident25 Ų2567.1 Ų67.112%0.12333%0.33CS..Hα-helixtrans-72.8-34.7175.1-77.7-167.6-70.800113.3R367 L370 N371 I374 S597 L598 Q599 L605R367-M601 HydrophobicContact CB-CE 3.88Å; R367-M601 HydrophobicContact CG-CE 3.76Å; L370-M601 HydrophobicContact CB-CB 4.06Å; L370-M601 HydrophobicContact CB-CE 4.4Å; L370-M601 HydrophobicContact CB-SD 4.19Å; L370-M601 HydrophobicContact CD1-CB 3.79Å; L370-M601 HydrophobicContact CD1-CE 4.35Å; N371-M601 PolarHBondContact OD1-SD 3.02Å; I374-M601 HydrophobicContact CD1-CB 3.92Å; I374-M601 HydrophobicContact CD1-CG 3.95Å; I374-M601 HydrophobicContact CD1-SD 4.31Å; S597-M601 PolarHBondContact O-N 2.94Å; L598-M601 HydrophobicContact CD2-CE 4.16Å; L598-M601 PolarHBondContact O-N 3.06Å; Q599-M601 VanDerWaalsContact C-N 3.27Å; Q599-M601 PolarHBondContact O-N 3.12Å; M601-L605 WeakPolarHBondContact O-CB 3.13Å; M601-L605 PolarHBondContact O-N 3.09Å
602L90.2Very high86.4Confident58 Ų5872.9 Ų72.930%0.30435%0.352SS..Hα-helixtrans-63.6-43.6171-77.4168.3000111.4L370 Y592 L598 Q599 L605 S606L370-L602 HydrophobicContact CD1-CD2 4.4Å; L370-L602 HydrophobicContact CD1-CG 4.03Å; L370-L602 HydrophobicContact CD2-CD2 3.68Å; L370-L602 HydrophobicContact CD2-CG 4.19Å; Y592-L602 HydrophobicContact CD1-CD1 3.56Å; Y592-L602 HydrophobicContact CE1-CD1 3.9Å; Y592-L602 HydrophobicContact CG-CD1 4.08Å; L598-L602 WeakPolarHBondContact O-CG 3.33Å; L598-L602 PolarHBondContact O-N 2.87Å; Q599-L602 WeakPolarHBondContact O-CB 3.49Å; Q599-L602 PolarHBondContact O-N 3.37Å; L602-L605 PolarHBondContact O-N 3.45Å; L602-S606 PolarHBondContact O-N 3.4Å; L602-S606 PolarHBondContact O-OG 3.04Å
603D90.8Very high87Confident86 Ų8676.3 Ų76.346%0.4637%0.369SS..Hα-helixtrans-66.5-37.6177.4-75.8-11.7000113Q599 S606 K607Q599-D603 PolarHBondContact O-N 2.88Å; D603-S606 WeakPolarHBondContact CA-OG 3.43Å; D603-S606 PolarHBondContact O-OG 2.84Å; D603-K607 WeakPolarHBondContact O-CB 3.49Å; D603-K607 VanDerWaalsContact O-CD 3.28Å; D603-K607 WeakPolarHBondContact O-CD 3.49Å; D603-K607 WeakPolarHBondContact O-CG 3.25Å; D603-K607 PolarHBondContact O-N 3.14Å; D603-K607 VanDerWaalsContact O-N 3.08Å
604Y93Very high87.6Confident123 Ų12378.1 Ų78.148%0.48237%0.372SS..Hα-helixtrans-66.1-41.7174.2-171.9-95.2000111.2I374 Q600 K607 Q608I374-Y604 HydrophobicContact CD1-CD1 4.1Å; I374-Y604 HydrophobicContact CG1-CD1 4.1Å; I374-Y604 HydrophobicContact CG2-CD1 3.84Å; I374-Y604 HydrophobicContact CG2-CE1 3.69Å; Q600-Y604 WeakPolarHBondContact O-CB 3.49Å; Q600-Y604 PolarHBondContact O-N 3.12Å; Y604-K607 PolarHBondContact O-N 2.95Å; Y604-Q608 HydrophobicContact CE1-CG 4.12Å; Y604-Q608 PolarHBondContact O-N 3.47Å; Y604-Q608 PolarHBondContact OH-NE2 3.37Å
605L91.1Very high87.8Confident15 Ų1578.3 Ų78.38%0.07937%0.365CS..Hα-helixtrans-70.9-32.7178.1175146.7000113.1L370 M373 I374 M601 L602 K609L370-L605 HydrophobicContact CD2-CD1 4.44Å; M373-L605 HydrophobicContact CB-CD1 3.39Å; M373-L605 HydrophobicContact CE-CD1 4.4Å; M373-L605 HydrophobicContact CG-CD1 4.42Å; M373-L605 HydrophobicContact SD-CD1 4.31Å; I374-L605 HydrophobicContact CG1-CB 4.06Å; I374-L605 HydrophobicContact CG1-CD1 4.26Å; M601-L605 WeakPolarHBondContact O-CB 3.13Å; M601-L605 PolarHBondContact O-N 3.09Å; L602-L605 PolarHBondContact O-N 3.45Å; L605-K609 HydrophobicContact CD2-CD 4.03Å; L605-K609 WeakPolarHBondContact O-CB 3.28Å; L605-K609 VanDerWaalsContact O-CG 3.28Å; L605-K609 WeakPolarHBondContact O-CG 3.43Å; L605-K609 PolarHBondContact O-N 3.32Å
606S92.3Very high87.6Confident48 Ų4880.1 Ų80.134%0.33638%0.382SS..Hα-helixtrans-69.2-46.2172.766.30000110.7L602 D603 Q608 K609 E610L602-S606 PolarHBondContact O-N 3.4Å; L602-S606 PolarHBondContact O-OG 3.04Å; D603-S606 WeakPolarHBondContact CA-OG 3.43Å; D603-S606 PolarHBondContact O-OG 2.84Å; S606-Q608 PolarHBondContact O-N 2.91Å; S606-K609 PolarHBondContact O-N 2.99Å; S606-K609 VanDerWaalsContact O-N 3.13Å; S606-E610 PolarHBondContact O-N 3.23Å
607K91.8Very high87.1Confident123 Ų12382.7 Ų82.754%0.53539%0.385SS..Hα-helixtrans-56.3-49.3175.8-72.9164.3-171.3165.80112.5D603 Y604 K609 E610 E611D603-K607 WeakPolarHBondContact O-CB 3.49Å; D603-K607 VanDerWaalsContact O-CD 3.28Å; D603-K607 WeakPolarHBondContact O-CD 3.49Å; D603-K607 WeakPolarHBondContact O-CG 3.25Å; D603-K607 PolarHBondContact O-N 3.14Å; D603-K607 VanDerWaalsContact O-N 3.08Å; Y604-K607 PolarHBondContact O-N 2.95Å; K607-K609 VanDerWaalsContact C-N 3.31Å; K607-K609 PolarHBondContact O-N 3.42Å; K607-E610 WeakPolarHBondContact O-CB 3.48Å; K607-E610 PolarHBondContact O-N 3.18Å; K607-E611 WeakPolarHBondContact O-CG 3.42Å; K607-E611 PolarHBondContact O-N 3.05Å
608Q89.3Confident86.4Confident21 Ų2182.1 Ų82.110%0.09838%0.381CS..Hα-helixtrans-61.7-37.2176.4-74.6-158.2-4.800113E377 Y604 S606 R612E377-Q608 HydrophobicContact CB-CB 4.33Å; E377-Q608 VanDerWaalsContact CB-OE1 3.23Å; Y604-Q608 HydrophobicContact CE1-CG 4.12Å; Y604-Q608 PolarHBondContact O-N 3.47Å; Y604-Q608 PolarHBondContact OH-NE2 3.37Å; S606-Q608 PolarHBondContact O-N 2.91Å; Q608-R612 WeakPolarHBondContact O-CB 3.41Å; Q608-R612 PolarHBondContact O-N 3.45Å
609K89.7Confident85.4Confident68 Ų6884.7 Ų84.730%0.29640%0.395SS..Hα-helixtrans-68.7-38.4176-75.5175.6179.5-175.30112.3E377 L605 S606 K607 Q613E377-K609 HydrophobicContact CG-CG 4.34Å; E377-K609 WeakPolarHBondContact OE1-CE 3.43Å; L605-K609 HydrophobicContact CD2-CD 4.03Å; L605-K609 WeakPolarHBondContact O-CB 3.28Å; L605-K609 VanDerWaalsContact O-CG 3.28Å; L605-K609 WeakPolarHBondContact O-CG 3.43Å; L605-K609 PolarHBondContact O-N 3.32Å; S606-K609 PolarHBondContact O-N 2.99Å; S606-K609 VanDerWaalsContact O-N 3.13Å; K607-K609 VanDerWaalsContact C-N 3.31Å; K607-K609 PolarHBondContact O-N 3.42Å; K609-Q613 WeakPolarHBondContact O-CG 3.44Å; K609-Q613 PolarHBondContact O-N 2.72Å
610E89.9Confident84.2Confident91 Ų9187.1 Ų87.143%0.42541%0.406SS..Hα-helixtrans-62.6-48.3172.2-83-166.7-135.500112.1S606 K607 R612 Q613 R614S606-E610 PolarHBondContact O-N 3.23Å; K607-E610 WeakPolarHBondContact O-CB 3.48Å; K607-E610 PolarHBondContact O-N 3.18Å; E610-R612 VanDerWaalsContact C-N 3.32Å; E610-R612 PolarHBondContact O-N 2.88Å; E610-Q613 CarbonylContact O-C 3.58Å; E610-Q613 WeakPolarHBondContact O-CA 3.38Å; E610-Q613 WeakPolarHBondContact O-CB 3.35Å; E610-Q613 PolarHBondContact O-N 3.44Å; E610-R614 VanDerWaalsContact O-CG 3.28Å; E610-R614 WeakPolarHBondContact O-CG 3.41Å; E610-R614 PolarHBondContact O-N 2.84Å; E610-R614 IonicContact OE2-CZ 3.96Å; E610-R614 IonicContact OE2-NE 3.25Å; E610-R614 IonicContact OE2-NH2 3.89Å; E610-R614 PolarHBondContact OE2-NH2 2.84Å
611E85.5Confident82.7Confident99 Ų9984.7 Ų84.746%0.46340%0.404SS..Hα-helixtrans-55.2-49.1175.8-73.8176.3176.200110.9K607 Q613 R614 Y615K607-E611 WeakPolarHBondContact O-CG 3.42Å; K607-E611 PolarHBondContact O-N 3.05Å; E611-Q613 VanDerWaalsContact C-N 3.3Å; E611-Q613 PolarHBondContact O-N 3.28Å; E611-R614 WeakPolarHBondContact O-CB 3.32Å; E611-R614 PolarHBondContact O-N 2.91Å; E611-R614 VanDerWaalsContact O-N 3.11Å; E611-Y615 HydrophobicContact CB-CE2 4.38Å; E611-Y615 WeakPolarHBondContact O-CD2 3.23Å; E611-Y615 PolarHBondContact O-N 3.19Å
612R83.9Confident81.2Confident129 Ų12989.1 Ų89.149%0.48742%0.423SS..Hα-helixtrans-57.8-38.8174.9179.1177.4156.9-150.2-10.3112.6E377 Q608 E610 A616E377-R612 IonicContact OE1-NH1 2.82Å; E377-R612 PolarHBondContact OE1-NH1 2.83Å; E377-R612 VanDerWaalsContact OE2-CD 3.3Å; E377-R612 WeakPolarHBondContact OE2-CD 3.36Å; E377-R612 IonicContact OE2-CZ 3.94Å; E377-R612 IonicContact OE2-NE 3.41Å; E377-R612 IonicContact OE2-NH1 2.69Å; E377-R612 PolarHBondContact OE2-NH1 3.27Å; Q608-R612 WeakPolarHBondContact O-CB 3.41Å; Q608-R612 PolarHBondContact O-N 3.45Å; E610-R612 VanDerWaalsContact C-N 3.32Å; E610-R612 PolarHBondContact O-N 2.88Å; R612-A616 WeakPolarHBondContact O-CB 3.29Å; R612-A616 PolarHBondContact O-N 2.87Å
613Q85.6Confident79.6Confident113 Ų11392.5 Ų92.553%0.52844%0.435SS..Hα-helixtrans-68.6-41.4173.2-74.6-172.131.700112.8K609 E610 E611 A616 K617K609-Q613 WeakPolarHBondContact O-CG 3.44Å; K609-Q613 PolarHBondContact O-N 2.72Å; E610-Q613 CarbonylContact O-C 3.58Å; E610-Q613 WeakPolarHBondContact O-CA 3.38Å; E610-Q613 WeakPolarHBondContact O-CB 3.35Å; E610-Q613 PolarHBondContact O-N 3.44Å; E611-Q613 VanDerWaalsContact C-N 3.3Å; E611-Q613 PolarHBondContact O-N 3.28Å; Q613-A616 PolarHBondContact O-N 3.45Å; Q613-K617 WeakPolarHBondContact O-CG 3.44Å; Q613-K617 PolarHBondContact O-N 2.93Å
614R84.5Confident77.8Confident165 Ų16595.6 Ų95.662%0.62345%0.445SS*.Hα-helixtrans-60.5-45.1175.8-66.6168.1-166.7-153.26110.2E610 E611 K617 S618E610-R614 VanDerWaalsContact O-CG 3.28Å; E610-R614 WeakPolarHBondContact O-CG 3.41Å; E610-R614 PolarHBondContact O-N 2.84Å; E610-R614 IonicContact OE2-CZ 3.96Å; E610-R614 IonicContact OE2-NE 3.25Å; E610-R614 IonicContact OE2-NH2 3.89Å; E610-R614 PolarHBondContact OE2-NH2 2.84Å; E611-R614 WeakPolarHBondContact O-CB 3.32Å; E611-R614 PolarHBondContact O-N 2.91Å; E611-R614 VanDerWaalsContact O-N 3.11Å; R614-K617 PolarHBondContact O-N 3.09Å; R614-S618 PolarHBondContact O-N 2.95Å
615Y77.5Confident75.9Confident118 Ų11891.3 Ų91.346%0.46344%0.438SS..Hα-helixtrans-60.2-47.1172.8-74.6-60.1000112.4F384 E611 K617 S618 D619F384-Y615 HydrophobicContact CE1-CD1 4.4Å; F384-Y615 HydrophobicContact CE1-CG 4.47Å; E611-Y615 HydrophobicContact CB-CE2 4.38Å; E611-Y615 WeakPolarHBondContact O-CD2 3.23Å; E611-Y615 PolarHBondContact O-N 3.19Å; Y615-K617 PolarHBondContact O-N 3.31Å; Y615-S618 WeakPolarHBondContact O-CB 3.29Å; Y615-S618 PolarHBondContact O-N 3.17Å; Y615-S618 VanDerWaalsContact O-N 3.14Å; Y615-S618 PolarHBondContact O-OG 3.31Å; Y615-D619 PolarHBondContact O-N 2.89Å
616A77.1Confident74.1Confident52 Ų5297.7 Ų97.743%0.4347%0.465SS..Hα-helixtrans-60.1-44.7178.800000112.8R612 Q613 S618 D619 Q620R612-A616 WeakPolarHBondContact O-CB 3.29Å; R612-A616 PolarHBondContact O-N 2.87Å; Q613-A616 PolarHBondContact O-N 3.45Å; A616-S618 VanDerWaalsContact C-N 3.34Å; A616-S618 PolarHBondContact O-N 3.17Å; A616-D619 PolarHBondContact O-N 3.05Å; A616-Q620 WeakPolarHBondContact O-CG 3.44Å; A616-Q620 PolarHBondContact O-N 3.15Å
617K77.6Confident72.3Confident136 Ų136104 Ų10459%0.59148%0.483SS*.Hα-helixtrans-60.6-41.9173.2-70.2177.1-178.4-1800111.3Q613 R614 Y615 D619 Q620 S621Q613-K617 WeakPolarHBondContact O-CG 3.44Å; Q613-K617 PolarHBondContact O-N 2.93Å; R614-K617 PolarHBondContact O-N 3.09Å; Y615-K617 PolarHBondContact O-N 3.31Å; K617-D619 PolarHBondContact O-N 3.06Å; K617-Q620 PolarHBondContact O-N 3.22Å; K617-S621 PolarHBondContact O-N 3.04Å
618S70.5Confident70.5Confident39 Ų39101.8 Ų101.827%0.27348%0.479SS..Hα-helixtrans-63-38.5176.193.10000112.9R614 Y615 A616 S621 K622R614-S618 PolarHBondContact O-N 2.95Å; Y615-S618 WeakPolarHBondContact O-CB 3.29Å; Y615-S618 PolarHBondContact O-N 3.17Å; Y615-S618 VanDerWaalsContact O-N 3.14Å; Y615-S618 PolarHBondContact O-OG 3.31Å; A616-S618 VanDerWaalsContact C-N 3.34Å; A616-S618 PolarHBondContact O-N 3.17Å; S618-S621 PolarHBondContact O-N 3.08Å; S618-K622 WeakPolarHBondContact O-CD 3.39Å; S618-K622 VanDerWaalsContact O-CG 3.25Å; S618-K622 WeakPolarHBondContact O-CG 3.48Å; S618-K622 PolarHBondContact O-N 3.24Å; S618-K622 PolarHBondContact OG-NZ 3.38Å
619D65.8Low68.8Low54 Ų54105.8 Ų105.829%0.28950%0.501SS..Hα-helixtrans-80.2-27-177.9-139.148.2000111.7Y615 A616 K617 K623Y615-D619 PolarHBondContact O-N 2.89Å; A616-D619 PolarHBondContact O-N 3.05Å; K617-D619 PolarHBondContact O-N 3.06Å; D619-K623 WeakPolarHBondContact O-CB 3.41Å; D619-K623 VanDerWaalsContact O-CG 3.26Å; D619-K623 WeakPolarHBondContact O-CG 3.47Å; D619-K623 PolarHBondContact O-N 3.4Å
620Q62.4Low67Low131 Ų131109.4 Ų109.461%0.61252%0.517SS*.Hα-helixtrans-64.1-49165.1-77175.9-22.700111.5A616 K617 K622 K623 F624A616-Q620 WeakPolarHBondContact O-CG 3.44Å; A616-Q620 PolarHBondContact O-N 3.15Å; K617-Q620 PolarHBondContact O-N 3.22Å; Q620-K622 PolarHBondContact O-N 3.2Å; Q620-K623 WeakPolarHBondContact O-CA 3.3Å; Q620-K623 WeakPolarHBondContact O-CB 3.29Å; Q620-K623 PolarHBondContact O-N 3.33Å; Q620-F624 PolarHBondContact O-N 2.95Å
621S57.8Low65.3Low84 Ų84106.9 Ų106.959%0.58752%0.516SS*.Hα-helixtrans-56.9-46.8174.5173.10000111.9K617 S618 K623 F624 G625K617-S621 PolarHBondContact O-N 3.04Å; S618-S621 PolarHBondContact O-N 3.08Å; S621-K623 VanDerWaalsContact C-N 3.27Å; S621-K623 PolarHBondContact O-N 2.95Å; S621-F624 PolarHBondContact O-N 3.19Å; S621-F624 VanDerWaalsContact O-N 3.1Å; S621-G625 PolarHBondContact O-N 3.23Å
622K58.1Low63.9Low119 Ų119105.6 Ų105.652%0.51751%0.514SS..Hα-helixtrans-62.4-28174.6-70.5161.6-173.7156.80113.9S618 Q620 K626S618-K622 WeakPolarHBondContact O-CD 3.39Å; S618-K622 VanDerWaalsContact O-CG 3.25Å; S618-K622 WeakPolarHBondContact O-CG 3.48Å; S618-K622 PolarHBondContact O-N 3.24Å; S618-K622 PolarHBondContact OG-NZ 3.38Å; Q620-K622 PolarHBondContact O-N 3.2Å; K622-K626 WeakPolarHBondContact O-CG 3.32Å
623K56.7Low62.4Low128 Ų128105 Ų10556%0.55752%0.515SS*.Hα-helixtrans-74.7-43.5171-76.8169.4-177.7178.70111.1D619 Q620 S621 K626 Y627D619-K623 WeakPolarHBondContact O-CB 3.41Å; D619-K623 VanDerWaalsContact O-CG 3.26Å; D619-K623 WeakPolarHBondContact O-CG 3.47Å; D619-K623 PolarHBondContact O-N 3.4Å; Q620-K623 WeakPolarHBondContact O-CA 3.3Å; Q620-K623 WeakPolarHBondContact O-CB 3.29Å; Q620-K623 PolarHBondContact O-N 3.33Å; S621-K623 VanDerWaalsContact C-N 3.27Å; S621-K623 PolarHBondContact O-N 2.95Å; K623-K626 WeakPolarHBondContact O-CB 3.21Å; K623-K626 PolarHBondContact O-N 2.76Å; K623-K626 VanDerWaalsContact O-N 3.1Å; K623-Y627 PolarHBondContact O-N 3.46Å; K623-Y627 VanDerWaalsContact O-N 3.12Å
624F53.1Low61.1Low152 Ų152104 Ų10467%0.66751%0.514SS*.Hα-helixtrans-62-46.3179.4-153.1-89.4000111.4Q620 S621 K626 Y627 V628Q620-F624 PolarHBondContact O-N 2.95Å; S621-F624 PolarHBondContact O-N 3.19Å; S621-F624 VanDerWaalsContact O-N 3.1Å; F624-K626 PolarHBondContact O-N 2.94Å; F624-Y627 WeakPolarHBondContact O-CA 3.08Å; F624-Y627 WeakPolarHBondContact O-CB 3.32Å; F624-Y627 PolarHBondContact O-N 2.81Å; F624-V628 HydrophobicContact CD1-CG2 4.02Å; F624-V628 HydrophobicContact CE1-CG2 4.09Å; F624-V628 PolarHBondContact O-N 3Å
625G52.8Low59.9Low33 Ų33103.1 Ų103.134%0.3451%0.514SS..Hα-helixtrans-59.2-28.8173.100000114.1S621 N629S621-G625 PolarHBondContact O-N 3.23Å; G625-N629 VanDerWaalsContact O-CB 3.29Å; G625-N629 WeakPolarHBondContact O-CB 3.41Å; G625-N629 PolarHBondContact O-N 3.16Å
626K53.8Low59Low149 Ų149101.8 Ų101.865%0.64851%0.512SS*.Hα-helixtrans-75.1-27.5171.9-75.5173.2-178.8174.30113.6K622 K623 F624 K630K622-K626 WeakPolarHBondContact O-CG 3.32Å; K623-K626 WeakPolarHBondContact O-CB 3.21Å; K623-K626 PolarHBondContact O-N 2.76Å; K623-K626 VanDerWaalsContact O-N 3.1Å; F624-K626 PolarHBondContact O-N 2.94Å; K626-K630 WeakPolarHBondContact O-CB 3.49Å; K626-K630 WeakPolarHBondContact O-CG 3.36Å; K626-K630 PolarHBondContact O-N 3.11Å; K626-K630 VanDerWaalsContact O-N 3.11Å
627Y54Low58.2Low181 Ų181104.1 Ų104.171%0.7152%0.518SS*.Hα-helixtrans-73.1-45.5170.5-90-88.8000110.9K623 F624 K630 G631K623-Y627 PolarHBondContact O-N 3.46Å; K623-Y627 VanDerWaalsContact O-N 3.12Å; F624-Y627 WeakPolarHBondContact O-CA 3.08Å; F624-Y627 WeakPolarHBondContact O-CB 3.32Å; F624-Y627 PolarHBondContact O-N 2.81Å; Y627-K630 WeakPolarHBondContact O-CB 3.32Å; Y627-K630 PolarHBondContact O-N 3.49Å; Y627-K630 VanDerWaalsContact O-N 3.13Å; Y627-G631 PolarHBondContact O-N 3.35Å
628V54.4Low57.8Low76 Ų76103.2 Ų103.246%0.46152%0.515SS..Hα-helixtrans-59.3-49.7174.8178.80000110.9F624 K630 G631 V632F624-V628 HydrophobicContact CD1-CG2 4.02Å; F624-V628 HydrophobicContact CE1-CG2 4.09Å; F624-V628 PolarHBondContact O-N 3Å; V628-K630 PolarHBondContact O-N 3.43Å; V628-G631 WeakPolarHBondContact O-CA 3.38Å; V628-G631 PolarHBondContact O-N 2.63Å; V628-V632 PolarHBondContact O-N 3.26Å
629N54.6Low57.6Low104 Ų104105 Ų10556%0.55653%0.527SS*.Hα-helixtrans-67.6-20.3177.4-73.47000113.6G625 K633G625-N629 VanDerWaalsContact O-CB 3.29Å; G625-N629 WeakPolarHBondContact O-CB 3.41Å; G625-N629 PolarHBondContact O-N 3.16Å; N629-K633 VanDerWaalsContact O-CB 3.26Å; N629-K633 WeakPolarHBondContact O-CB 3.3Å; N629-K633 WeakPolarHBondContact O-CG 3.34Å; N629-K633 PolarHBondContact O-N 2.98Å
630K51.3Low57.7Low144 Ų144106.7 Ų106.763%0.62654%0.536SS*.Hα-helixtrans-71.6-43.1166.3-96.5-169.9168.1-162.70111.3K626 Y627 V628 K633 N634K626-K630 WeakPolarHBondContact O-CB 3.49Å; K626-K630 WeakPolarHBondContact O-CG 3.36Å; K626-K630 PolarHBondContact O-N 3.11Å; K626-K630 VanDerWaalsContact O-N 3.11Å; Y627-K630 WeakPolarHBondContact O-CB 3.32Å; Y627-K630 PolarHBondContact O-N 3.49Å; Y627-K630 VanDerWaalsContact O-N 3.13Å; V628-K630 PolarHBondContact O-N 3.43Å; K630-K633 PolarHBondContact O-N 2.67Å; K630-N634 WeakPolarHBondContact O-CB 3.41Å; K630-N634 PolarHBondContact O-N 2.85Å; K630-N634 PolarHBondContact O-OD1 3.02Å
631G54.6Low58.1Low39 Ų39106.7 Ų106.740%0.40253%0.534SS..Hα-helixtrans-59.3-46.7174.600000112.1Y627 V628 N634 K635Y627-G631 PolarHBondContact O-N 3.35Å; V628-G631 WeakPolarHBondContact O-CA 3.38Å; V628-G631 PolarHBondContact O-N 2.63Å; G631-N634 PolarHBondContact O-N 3.42Å; G631-K635 PolarHBondContact O-N 3.42Å; G631-K635 VanDerWaalsContact O-N 3.08Å
632V55.6Low59Low71 Ų71107 Ų10743%0.4353%0.533SS..Hα-helixtrans-60.6-45.6173.7178.70000110.9V628 N634 K635 E636V628-V632 PolarHBondContact O-N 3.26Å; V632-N634 PolarHBondContact O-N 2.77Å; V632-K635 CarbonylContact O-C 3.58Å; V632-K635 PolarHBondContact O-N 2.87Å; V632-K635 VanDerWaalsContact O-N 3.17Å; V632-E636 HydrophobicContact CG1-CG 4.35Å; V632-E636 WeakPolarHBondContact O-CG 3.33Å; V632-E636 PolarHBondContact O-N 3.3Å
633K53.3Low59.9Low117 Ų117107 Ų10751%0.50953%0.533SS..Hα-helixtrans-69.2-28.3179.2-82.2-173.7177.1-53.90115.3N629 K630 E636 N637N629-K633 VanDerWaalsContact O-CB 3.26Å; N629-K633 WeakPolarHBondContact O-CB 3.3Å; N629-K633 WeakPolarHBondContact O-CG 3.34Å; N629-K633 PolarHBondContact O-N 2.98Å; K630-K633 PolarHBondContact O-N 2.67Å; K633-E636 VanDerWaalsContact CG-OE2 3.27Å; K633-E636 WeakPolarHBondContact CG-OE2 3.44Å; K633-E636 IonicContact NZ-OE2 2.76Å; K633-E636 PolarHBondContact NZ-OE2 3.21Å; K633-N637 WeakPolarHBondContact O-CB 3.49Å; K633-N637 PolarHBondContact O-N 2.81Å; K633-N637 PolarHBondContact O-ND2 3.46Å
634N57.2Low60.8Low93 Ų93107.7 Ų107.750%0.49753%0.532SS..Hα-helixtrans-67.2-44.9169.9-76.919.7000109.8K630 G631 V632 N637 E638K630-N634 WeakPolarHBondContact O-CB 3.41Å; K630-N634 PolarHBondContact O-N 2.85Å; K630-N634 PolarHBondContact O-OD1 3.02Å; G631-N634 PolarHBondContact O-N 3.42Å; V632-N634 PolarHBondContact O-N 2.77Å; N634-N637 CarbonylContact O-C 3.56Å; N634-N637 PolarHBondContact O-N 2.62Å; N634-E638 WeakPolarHBondContact O-CB 3.25Å; N634-E638 VanDerWaalsContact O-CG 3.29Å; N634-E638 WeakPolarHBondContact O-CG 3.34Å; N634-E638 PolarHBondContact O-N 2.75Å
635K60Low61.9Low145 Ų145104 Ų10463%0.6352%0.519SS*.Hα-helixtrans-62.5-43.4173.5-71.4-170.9172.3-166.60113.2G631 V632 N637 E638 S639G631-K635 PolarHBondContact O-N 3.42Å; G631-K635 VanDerWaalsContact O-N 3.08Å; V632-K635 CarbonylContact O-C 3.58Å; V632-K635 PolarHBondContact O-N 2.87Å; V632-K635 VanDerWaalsContact O-N 3.17Å; K635-N637 VanDerWaalsContact C-N 3.29Å; K635-N637 PolarHBondContact O-N 3.46Å; K635-E638 PolarHBondContact O-N 2.68Å; K635-S639 WeakPolarHBondContact O-CB 3.22Å; K635-S639 PolarHBondContact O-N 3.18Å; K635-S639 PolarHBondContact O-OG 3.02Å; K635-S639 VanDerWaalsContact O-OG 3.09Å
636E57.8Low63.2Low91 Ų91106.6 Ų106.643%0.42552%0.523SS..Hα-helixtrans-56.6-43.9172.9-72.3174.6170.700111V632 K633 L640V632-E636 HydrophobicContact CG1-CG 4.35Å; V632-E636 WeakPolarHBondContact O-CG 3.33Å; V632-E636 PolarHBondContact O-N 3.3Å; K633-E636 VanDerWaalsContact CG-OE2 3.27Å; K633-E636 WeakPolarHBondContact CG-OE2 3.44Å; K633-E636 IonicContact NZ-OE2 2.76Å; K633-E636 PolarHBondContact NZ-OE2 3.21Å; E636-L640 VanDerWaalsContact O-CB 3.28Å; E636-L640 WeakPolarHBondContact O-CB 3.27Å; E636-L640 WeakPolarHBondContact O-CG 3.38Å; E636-L640 PolarHBondContact O-N 3.21Å
637N61.3Low64.3Low101 Ų101102.2 Ų102.254%0.5451%0.506SS..Hα-helixtrans-70-35.5177.1-74-16.1000112.9K633 N634 K635 K641K633-N637 WeakPolarHBondContact O-CB 3.49Å; K633-N637 PolarHBondContact O-N 2.81Å; K633-N637 PolarHBondContact O-ND2 3.46Å; N634-N637 CarbonylContact O-C 3.56Å; N634-N637 PolarHBondContact O-N 2.62Å; K635-N637 VanDerWaalsContact C-N 3.29Å; K635-N637 PolarHBondContact O-N 3.46Å; N637-K641 WeakPolarHBondContact O-CB 3.32Å; N637-K641 PolarHBondContact O-N 3.45Å
638E69Low65.2Low116 Ų11698 Ų9854%0.54249%0.493SS..Hα-helixtrans-67.1-46.4174.8-75.3161.1176.500110.4N634 K635 K641 T642N634-E638 WeakPolarHBondContact O-CB 3.25Å; N634-E638 VanDerWaalsContact O-CG 3.29Å; N634-E638 WeakPolarHBondContact O-CG 3.34Å; N634-E638 PolarHBondContact O-N 2.75Å; K635-E638 PolarHBondContact O-N 2.68Å; E638-K641 PolarHBondContact O-N 3.2Å; E638-K641 VanDerWaalsContact O-N 3.12Å; E638-T642 PolarHBondContact O-N 2.75Å; E638-T642 PolarHBondContact O-OG1 3.35Å
639S66.7Low66.3Low76 Ų76102 Ų10253%0.53150%0.5SS..Hα-helixtrans-62.2-41.4173.7-600000112.5K635 K641 T642 F643K635-S639 WeakPolarHBondContact O-CB 3.22Å; K635-S639 PolarHBondContact O-N 3.18Å; K635-S639 PolarHBondContact O-OG 3.02Å; K635-S639 VanDerWaalsContact O-OG 3.09Å; S639-K641 VanDerWaalsContact C-N 3.33Å; S639-T642 WeakPolarHBondContact CA-OG1 3.46Å; S639-T642 PolarHBondContact O-OG1 2.95Å; S639-F643 WeakPolarHBondContact O-CB 3.29Å; S639-F643 PolarHBondContact O-N 3.18Å
640L67.3Low67.5Low91 Ų91100.8 Ų100.848%0.47649%0.491SS..Hα-helixtrans-63.2-39.3171.8-83.7164.9000111.6E636 F643 W644E636-L640 VanDerWaalsContact O-CB 3.28Å; E636-L640 WeakPolarHBondContact O-CB 3.27Å; E636-L640 WeakPolarHBondContact O-CG 3.38Å; E636-L640 PolarHBondContact O-N 3.21Å; L640-F643 PolarHBondContact O-N 3.34Å; L640-W644 PolarHBondContact O-N 3.27Å
641K71.8Confident68.5Low131 Ų131101.1 Ų101.157%0.5749%0.488SS*.Hα-helixtrans-66.2-48.7177.3-162.3-163.4169.9-161.20110.7N637 E638 S639 F643 W644 D645N637-K641 WeakPolarHBondContact O-CB 3.32Å; N637-K641 PolarHBondContact O-N 3.45Å; E638-K641 PolarHBondContact O-N 3.2Å; E638-K641 VanDerWaalsContact O-N 3.12Å; S639-K641 VanDerWaalsContact C-N 3.33Å; K641-F643 PolarHBondContact O-N 3.37Å; K641-W644 CarbonylContact O-C 3.45Å; K641-W644 WeakPolarHBondContact O-CA 3.3Å; K641-W644 PolarHBondContact O-N 3.03Å; K641-D645 PolarHBondContact O-N 3.45Å
642T75.5Confident69.2Low90 Ų90103.2 Ų103.255%0.55249%0.487SS*.Hα-helixtrans-60.2-30.6175.150.90000112.7E638 S639 E646E638-T642 PolarHBondContact O-N 2.75Å; E638-T642 PolarHBondContact O-OG1 3.35Å; S639-T642 WeakPolarHBondContact CA-OG1 3.46Å; S639-T642 PolarHBondContact O-OG1 2.95Å; T642-E646 WeakPolarHBondContact O-CB 3.32Å; T642-E646 PolarHBondContact O-N 3.34Å
643F77.2Confident70.1Confident120 Ų120105.9 Ų105.953%0.52650%0.495SS..Hα-helixtrans-70.7-35.7173.2177-95.8000112.9S639 L640 K641 L647S639-F643 WeakPolarHBondContact O-CB 3.29Å; S639-F643 PolarHBondContact O-N 3.18Å; L640-F643 PolarHBondContact O-N 3.34Å; K641-F643 PolarHBondContact O-N 3.37Å; F643-L647 HydrophobicContact CD1-CD1 4.02Å; F643-L647 HydrophobicContact CE1-CD1 3.44Å; F643-L647 VanDerWaalsContact CE1-CD1 3.44Å; F643-L647 HydrophobicContact CE1-CG 4.38Å; F643-L647 HydrophobicContact CZ-CD1 3.78Å; F643-L647 HydrophobicContact CZ-CG 4.42Å; F643-L647 WeakPolarHBondContact O-CB 3.31Å; F643-L647 PolarHBondContact O-N 3.39Å
644W75.2Confident70.9Confident141 Ų141108.1 Ų108.153%0.53450%0.5SS..Hα-helixtrans-71.2-45.6170.7-74.3114.3000112L640 K641 E646 L647 E648L640-W644 PolarHBondContact O-N 3.27Å; K641-W644 CarbonylContact O-C 3.45Å; K641-W644 WeakPolarHBondContact O-CA 3.3Å; K641-W644 PolarHBondContact O-N 3.03Å; W644-E646 PolarHBondContact O-N 3.3Å; W644-L647 HydrophobicContact CE3-CD1 4.05Å; W644-L647 HydrophobicContact CZ3-CD1 4.06Å; W644-L647 PolarHBondContact O-N 2.83Å; W644-L647 VanDerWaalsContact O-N 3.11Å; W644-E648 PolarHBondContact O-N 3.3Å
645D76.5Confident71.3Confident74 Ų74106.5 Ų106.540%0.39650%0.496SS..Hα-helixtrans-58.9-36.3177-58.7-27.6000110.7K641 R649K641-D645 PolarHBondContact O-N 3.45Å; D645-R649 PolarHBondContact O-N 3.02Å
646E80.2Confident71.5Confident89 Ų89101.9 Ų101.942%0.41648%0.482SS..Hα-helixtrans-72-40.8173.2179.858.8-153.800112.9T642 W644 E648 R649 Q650T642-E646 WeakPolarHBondContact O-CB 3.32Å; T642-E646 PolarHBondContact O-N 3.34Å; W644-E646 PolarHBondContact O-N 3.3Å; E646-E648 VanDerWaalsContact C-N 3.32Å; E646-E648 PolarHBondContact O-N 3.27Å; E646-R649 PolarHBondContact O-N 3.2Å; E646-Q650 WeakPolarHBondContact O-CG 3.1Å; E646-Q650 PolarHBondContact O-N 3.44Å; E646-Q650 PolarHBondContact OE1-NE2 2.91Å
647L76Confident72Confident56 Ų56103.9 Ų103.929%0.29349%0.494SS..Hα-helixtrans-64.7-35.4172.7-87.9172.4000112.7F643 W644 Q650 R651F643-L647 HydrophobicContact CD1-CD1 4.02Å; F643-L647 HydrophobicContact CE1-CD1 3.44Å; F643-L647 VanDerWaalsContact CE1-CD1 3.44Å; F643-L647 HydrophobicContact CE1-CG 4.38Å; F643-L647 HydrophobicContact CZ-CD1 3.78Å; F643-L647 HydrophobicContact CZ-CG 4.42Å; F643-L647 WeakPolarHBondContact O-CB 3.31Å; F643-L647 PolarHBondContact O-N 3.39Å; W644-L647 HydrophobicContact CE3-CD1 4.05Å; W644-L647 HydrophobicContact CZ3-CD1 4.06Å; W644-L647 PolarHBondContact O-N 2.83Å; W644-L647 VanDerWaalsContact O-N 3.11Å; L647-Q650 PolarHBondContact O-N 2.97Å; L647-R651 WeakPolarHBondContact O-CG 2.91Å; L647-R651 PolarHBondContact O-N 2.85Å; L647-R651 VanDerWaalsContact O-N 3.11Å
648E74.1Confident72.2Confident94 Ų94106.6 Ų106.644%0.43950%0.504SS..Hα-helixtrans-64.9-48.1173.2-131.277.3-92.900109.5W644 E646 Q650 R651 E652W644-E648 PolarHBondContact O-N 3.3Å; E646-E648 VanDerWaalsContact C-N 3.32Å; E646-E648 PolarHBondContact O-N 3.27Å; E648-Q650 VanDerWaalsContact C-N 3.33Å; E648-Q650 PolarHBondContact O-N 2.8Å; E648-R651 CarbonylContact O-C 3.57Å; E648-R651 WeakPolarHBondContact O-CA 2.95Å; E648-R651 WeakPolarHBondContact O-CB 3.35Å; E648-R651 PolarHBondContact O-N 3.29Å; E648-R651 IonicContact OE1-CZ 3.84Å; E648-R651 IonicContact OE1-NH1 3.98Å; E648-R651 PolarHBondContact OE1-NH1 3.42Å; E648-E652 PolarHBondContact O-N 3.37Å
649R77Confident72.2Confident159 Ų159105.1 Ų105.160%0.650%0.503SS*.Hα-helixtrans-57.3-40.7173.5-87.9-175.4157.61430.5113.9D645 E646 R651 E652 Q653D645-R649 PolarHBondContact O-N 3.02Å; E646-R649 PolarHBondContact O-N 3.2Å; R649-R651 VanDerWaalsContact C-N 3.26Å; R649-R651 PolarHBondContact O-N 3.01Å; R649-E652 PolarHBondContact O-N 3.26Å; R649-Q653 WeakPolarHBondContact O-CB 3.45Å; R649-Q653 WeakPolarHBondContact O-CG 3.17Å; R649-Q653 PolarHBondContact O-N 3.43Å
650Q79Confident71.9Confident79 Ų79110.3 Ų110.337%0.36952%0.518SS..Hα-helixtrans-69.7-24.3177-72178.522.100112.5E646 L647 E648 R654E646-Q650 WeakPolarHBondContact O-CG 3.1Å; E646-Q650 PolarHBondContact O-N 3.44Å; E646-Q650 PolarHBondContact OE1-NE2 2.91Å; L647-Q650 PolarHBondContact O-N 2.97Å; E648-Q650 VanDerWaalsContact C-N 3.33Å; E648-Q650 PolarHBondContact O-N 2.8Å; Q650-R654 WeakPolarHBondContact O-CD 3.45Å; Q650-R654 VanDerWaalsContact O-CG 3.23Å; Q650-R654 WeakPolarHBondContact O-CG 3.36Å; Q650-R654 PolarHBondContact O-N 3.28Å
651R72.4Confident71.3Confident150 Ų150107.9 Ų107.957%0.56651%0.512SS*.Hα-helixtrans-75.2-43.7167.8-71164.8167177-5.5111.8L647 E648 R649 R654 S655L647-R651 WeakPolarHBondContact O-CG 2.91Å; L647-R651 PolarHBondContact O-N 2.85Å; L647-R651 VanDerWaalsContact O-N 3.11Å; E648-R651 CarbonylContact O-C 3.57Å; E648-R651 WeakPolarHBondContact O-CA 2.95Å; E648-R651 WeakPolarHBondContact O-CB 3.35Å; E648-R651 PolarHBondContact O-N 3.29Å; E648-R651 IonicContact OE1-CZ 3.84Å; E648-R651 IonicContact OE1-NH1 3.98Å; E648-R651 PolarHBondContact OE1-NH1 3.42Å; R649-R651 VanDerWaalsContact C-N 3.26Å; R649-R651 PolarHBondContact O-N 3.01Å; R651-R654 PolarHBondContact O-N 2.9Å; R651-S655 WeakPolarHBondContact O-CB 3.31Å; R651-S655 PolarHBondContact O-N 2.85Å
652E70.6Confident70.5Confident83 Ų83108.2 Ų108.239%0.38853%0.525SS..Hα-helixtrans-59.4-47.9175.6-69.3-177.9133.400111E648 R649 R654 S655 C656 H664E648-E652 PolarHBondContact O-N 3.37Å; R649-E652 PolarHBondContact O-N 3.26Å; E652-R654 PolarHBondContact O-N 3.36Å; E652-S655 WeakPolarHBondContact O-CB 3.43Å; E652-S655 PolarHBondContact O-N 3.42Å; E652-S655 VanDerWaalsContact O-N 3.14Å; E652-C656 PolarHBondContact O-N 3.04Å; E652-C656 PolarHBondContact O-SG 2.98Å; E652-H664 IonicContact OE1-CE1 2.67Å
653Q73.7Confident69.3Low127 Ų127109.3 Ų109.359%0.59352%0.523SS*.Hα-helixtrans-59.3-44.3176.1-76.4-176.8-9.400112.6R649 S655 C656 I657R649-Q653 WeakPolarHBondContact O-CB 3.45Å; R649-Q653 WeakPolarHBondContact O-CG 3.17Å; R649-Q653 PolarHBondContact O-N 3.43Å; Q653-S655 VanDerWaalsContact C-N 3.35Å; Q653-C656 PolarHBondContact O-N 3.03Å; Q653-I657 WeakPolarHBondContact O-CD1 3.49Å; Q653-I657 VanDerWaalsContact O-CG1 3.27Å; Q653-I657 WeakPolarHBondContact O-CG1 3.43Å; Q653-I657 PolarHBondContact O-N 3.1Å
654R70.9Confident67.9Low164 Ų164108.8 Ų108.862%0.61952%0.522SS*.Hα-helixtrans-62-43.1174.1-74.6174.1-172-143.21.9111.5Q650 R651 E652 C656 I657 E658Q650-R654 WeakPolarHBondContact O-CD 3.45Å; Q650-R654 VanDerWaalsContact O-CG 3.23Å; Q650-R654 WeakPolarHBondContact O-CG 3.36Å; Q650-R654 PolarHBondContact O-N 3.28Å; R651-R654 PolarHBondContact O-N 2.9Å; E652-R654 PolarHBondContact O-N 3.36Å; R654-C656 VanDerWaalsContact C-N 3.34Å; R654-C656 PolarHBondContact O-N 3.46Å; R654-I657 PolarHBondContact O-N 3.15Å; R654-E658 VanDerWaalsContact O-CB 3.32Å; R654-E658 WeakPolarHBondContact O-CB 3.47Å; R654-E658 VanDerWaalsContact O-CG 3.29Å; R654-E658 WeakPolarHBondContact O-CG 3.44Å; R654-E658 PolarHBondContact O-N 3.17Å
655S65.6Low66.6Low59 Ų59105.8 Ų105.841%0.41352%0.521SS..Hα-helixtrans-61.6-40176.7-169.40000112.3R651 E652 Q653 T659R651-S655 WeakPolarHBondContact O-CB 3.31Å; R651-S655 PolarHBondContact O-N 2.85Å; E652-S655 WeakPolarHBondContact O-CB 3.43Å; E652-S655 PolarHBondContact O-N 3.42Å; E652-S655 VanDerWaalsContact O-N 3.14Å; Q653-S655 VanDerWaalsContact C-N 3.35Å; S655-T659 WeakPolarHBondContact O-CB 3.38Å; S655-T659 VanDerWaalsContact O-CG2 3.3Å; S655-T659 WeakPolarHBondContact O-CG2 3.35Å; S655-T659 PolarHBondContact O-N 3.35Å; S655-T659 VanDerWaalsContact O-N 3.16Å; S655-T659 PolarHBondContact O-OG1 3.39Å
656C63.4Low65.3Low49 Ų49105.3 Ų105.333%0.33152%0.523SS..Hα-helixtrans-67.1-39.5175.4-69.70000112E652 Q653 R654 T659 E660E652-C656 PolarHBondContact O-N 3.04Å; E652-C656 PolarHBondContact O-SG 2.98Å; Q653-C656 PolarHBondContact O-N 3.03Å; R654-C656 VanDerWaalsContact C-N 3.34Å; R654-C656 PolarHBondContact O-N 3.46Å; C656-T659 PolarHBondContact O-N 3.4Å; C656-E660 PolarHBondContact O-N 3.25Å; C656-E660 VanDerWaalsContact O-N 3.11Å
657I69Low63.7Low133 Ų133106.4 Ų106.468%0.68253%0.529SS*.Hα-helixtrans-67.1-42.6175.7-66.5163.1000111.1Q653 R654 T659Q653-I657 WeakPolarHBondContact O-CD1 3.49Å; Q653-I657 VanDerWaalsContact O-CG1 3.27Å; Q653-I657 WeakPolarHBondContact O-CG1 3.43Å; Q653-I657 PolarHBondContact O-N 3.1Å; R654-I657 PolarHBondContact O-N 3.15Å; I657-T659 PolarHBondContact O-N 3.28Å
658E65.8Low62.2Low158 Ų158110.4 Ų110.474%0.73855%0.545SS*.Hα-helixtrans-72.2-12.8-179.7-73171.6-163.700113.8R654R654-E658 VanDerWaalsContact O-CB 3.32Å; R654-E658 WeakPolarHBondContact O-CB 3.47Å; R654-E658 VanDerWaalsContact O-CG 3.29Å; R654-E658 WeakPolarHBondContact O-CG 3.44Å; R654-E658 PolarHBondContact O-N 3.17Å
659T67.7Low60.8Low85 Ų85112.6 Ų112.652%0.52156%0.559SS.*Hα-helixtrans-118.7-3-177.857.30000114.6S655 C656 I657 A661S655-T659 WeakPolarHBondContact O-CB 3.38Å; S655-T659 VanDerWaalsContact O-CG2 3.3Å; S655-T659 WeakPolarHBondContact O-CG2 3.35Å; S655-T659 PolarHBondContact O-N 3.35Å; S655-T659 VanDerWaalsContact O-N 3.16Å; S655-T659 PolarHBondContact O-OG1 3.39Å; C656-T659 PolarHBondContact O-N 3.4Å; I657-T659 PolarHBondContact O-N 3.28Å; T659-A661 PolarHBondContact O-N 3.26Å
660E61.5Low59.3Low185 Ų185111.1 Ų111.186%0.86456%0.562SS**  trans53.69.6-170.3-57.8-171.8146.800114.6C656 T662C656-E660 PolarHBondContact O-N 3.25Å; C656-E660 VanDerWaalsContact O-N 3.11Å; E660-T662 PolarHBondContact O-N 3.35Å
661A53.9Low57.6Low40 Ų40112.1 Ų112.133%0.33157%0.574SS.*  trans-86.5113.5-171.700000111.7T659 H663T659-A661 PolarHBondContact O-N 3.26Å; A661-H663 PolarHBondContact O-N 3.13Å
662T54.4Low56.3Low138 Ų138109.3 Ų109.385%0.84758%0.577SS**  trans-73.55.5171.845.70000114.2E660E660-T662 PolarHBondContact O-N 3.35Å
663H51.6Low55Low113 Ų113112.4 Ų112.452%0.52360%0.595SS.*SBendtrans-106.5139.9-176-75.3-91000112.7A661 E667A661-H663 PolarHBondContact O-N 3.13Å; H663-E667 IonicContact CE1-OE2 2.81Å; H663-E667 IonicContact CG-OE2 2.77Å; H663-E667 IonicContact ND1-OE2 3.46Å; H663-E667 PolarHBondContact ND1-OE2 3.02Å
664H47.9Very low53.4Low108 Ų108112.4 Ų112.450%0.560%0.604SS.*  trans-74.2128178.9-163.1-0.7000109.2E652 S666 E667E652-H664 IonicContact OE1-CE1 2.67Å; H664-S666 PolarHBondContact O-N 3.4Å; H664-E667 PolarHBondContact O-N 3.36Å
665P46.7Very low51.9Low79 Ų79112.2 Ų112.251%0.51364%0.638SS.*THydrogen-bonded Turntrans-58.5-9.2-176.116.8-32.2000116.1E667P665-E667 VanDerWaalsContact C-N 3.34Å
666S49.8Very low51.3Low63 Ų63114.9 Ų114.944%0.44165%0.649SS.*THydrogen-bonded Turntrans-65.5-28.8170.250.90000114.3H664 H668 L669H664-S666 PolarHBondContact O-N 3.4Å; S666-H668 VanDerWaalsContact C-N 3.3Å; S666-H668 PolarHBondContact O-N 3.19Å; S666-L669 PolarHBondContact O-N 3.18Å
667E46.1Very low50.6Low113 Ų113118.4 Ų118.453%0.52867%0.666SS.*G310 helixtrans-70.5-27-176.6-61.3-168.4134.800112.5H663 H664 P665 L669 I670H663-E667 IonicContact CE1-OE2 2.81Å; H663-E667 IonicContact CG-OE2 2.77Å; H663-E667 IonicContact ND1-OE2 3.46Å; H663-E667 PolarHBondContact ND1-OE2 3.02Å; H664-E667 PolarHBondContact O-N 3.36Å; P665-E667 VanDerWaalsContact C-N 3.34Å; E667-L669 PolarHBondContact O-N 3.4Å; E667-I670 PolarHBondContact O-N 3.47Å
668H45.3Very low49.6Very low140 Ų140117.6 Ų117.665%0.64867%0.665SS**G310 helixtrans-69.5-7.9178.2-77.9-65.3000114.9S666S666-H668 VanDerWaalsContact C-N 3.3Å; S666-H668 PolarHBondContact O-N 3.19Å
669L44.9Very low48.7Very low139 Ų139115.2 Ų115.273%0.72866%0.661SS**G310 helixtrans-86.6-5.7176.2-75.6171.7000114.2S666 E667S666-L669 PolarHBondContact O-N 3.18Å; E667-L669 PolarHBondContact O-N 3.4Å
670I44.3Very low47.5Very low129 Ų129117.1 Ų117.166%0.66267%0.67SS**THydrogen-bonded Turntrans-106-32-174.8-60.5-179.8000112.2E667 S672E667-I670 PolarHBondContact O-N 3.47Å; I670-S672 VanDerWaalsContact C-N 3.34Å; I670-S672 PolarHBondContact O-N 3.45Å
671T44.7Very low46.5Very low100 Ų100112.5 Ų112.561%0.61366%0.657SS**G310 helixtrans-79.4-6.1-17439.40000115.5
672S44.6Very low46Very low91 Ų91117.7 Ų117.764%0.63668%0.68SS**G310 helixtrans-9317.9176.372.70000114.4I670I670-S672 VanDerWaalsContact C-N 3.34Å; I670-S672 PolarHBondContact O-N 3.45Å
673L44Very low45.4Very low147 Ų147116.2 Ų116.277%0.7767%0.667SS**G310 helixtrans-121.56.6-178-88.8166.6000114.1
674T40.4Very low44.8Very low127 Ų127116.4 Ų116.478%0.77968%0.679SS**  trans-133.131.8-176.457.40000113.4
675A39.4Very low44.6Very low161 Ų161117.2 Ų117.2100%1.33170%0.695SS**  trans-146.70171.700000110

Retrieved 675 of 675 residues in 600.5 ms (Link to these results)

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