A0A096M8Z6_POEFO Loading...

Charged multivesicular body protein 1A

AlphaFold DB (A0A3B3UVL2), UniProt , Accession A0A096M8Z6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 198 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
1M68.4Low86.9Confident124 Ų12496.4 Ų96.461%0.61146%0.46SS*.  0-45.70-92.2-164.2-101.300111.6T4 L5 V80 K83M1-T4 WeakPolarHBondContact CA-OG1 3.43Å; M1-T4 PolarHBondContact O-OG1 3.26Å; M1-L5 WeakPolarHBondContact O-CB 3.43Å; M1-L5 PolarHBondContact O-N 2.82Å; M1-V80 HydrophobicContact CB-CG2 3.89Å; M1-V80 HydrophobicContact SD-CG2 4.33Å; M1-K83 HydrophobicContact CE-CD 3.96Å
2E78Confident87.3Confident146 Ų14688.4 Ų88.468%0.68242%0.422SS*.Hα-helixtrans-66.2-42.5170.9-70.6176.5177.800112.4T4 L5 F6 V80E2-T4 PolarHBondContact O-N 2.98Å; E2-L5 WeakPolarHBondContact O-CB 3.43Å; E2-L5 PolarHBondContact O-N 3.12Å; E2-F6 PolarHBondContact O-N 3.15Å; E2-V80 HydrophobicContact CG-CG1 3.94Å
3E85.3Confident87.9Confident161 Ų16192.4 Ų92.475%0.75244%0.436SS*.Hα-helixtrans-61.9-42.2175.7-171.4175.9-170.900112.8L5 F6 Q7E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.19Å; E3-F6 PolarHBondContact O-N 2.82Å; E3-Q7 WeakPolarHBondContact O-CB 3.48Å; E3-Q7 PolarHBondContact O-N 3.18Å
4T83.8Confident88.4Confident78 Ų7892.7 Ų92.748%0.47944%0.438SS..Hα-helixtrans-65.8-35.317545.10000112.3M1 E2 Q7 L8M1-T4 WeakPolarHBondContact CA-OG1 3.43Å; M1-T4 PolarHBondContact O-OG1 3.26Å; E2-T4 PolarHBondContact O-N 2.98Å; T4-Q7 PolarHBondContact O-N 3.28Å; T4-L8 WeakPolarHBondContact O-CB 3.38Å; T4-L8 VanDerWaalsContact O-CG 3.25Å; T4-L8 WeakPolarHBondContact O-CG 3.31Å; T4-L8 PolarHBondContact O-N 2.93Å
5L87.8Confident88.7Confident22 Ų2287.8 Ų87.812%0.11542%0.415CS..Hα-helixtrans-68-44.2175.1176.9123.5000111.5M1 E2 E3 Q7 L8 R9 A73 V76 Q77M1-L5 WeakPolarHBondContact O-CB 3.43Å; M1-L5 PolarHBondContact O-N 2.82Å; E2-L5 WeakPolarHBondContact O-CB 3.43Å; E2-L5 PolarHBondContact O-N 3.12Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.19Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 3.17Å; L5-L8 PolarHBondContact O-N 3.42Å; L5-R9 WeakPolarHBondContact O-CG 3.28Å; L5-R9 PolarHBondContact O-N 2.96Å; L5-A73 WeakPolarHBondContact CD1-O 3.27Å; L5-V76 HydrophobicContact CB-CG1 4.15Å; L5-V76 HydrophobicContact CD1-CB 4.13Å; L5-V76 HydrophobicContact CD1-CG1 3.89Å; L5-Q77 HydrophobicContact CD1-CB 3.6Å; L5-Q77 HydrophobicContact CD1-CG 4.36Å; L5-Q77 VanDerWaalsContact CD1-OE1 3.23Å
6F91.6Very high89Confident135 Ų13587.1 Ų87.159%0.59241%0.411SS*.Hα-helixtrans-56.9-47.7172.9176.3-95.9000110.9E2 E3 L8 R9 F10E2-F6 PolarHBondContact O-N 3.15Å; E3-F6 PolarHBondContact O-N 2.82Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 3.09Å; F6-R9 PolarHBondContact O-N 2.81Å; F6-F10 VanDerWaalsContact O-CB 3.25Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.02Å
7Q91.6Very high89.5Confident105 Ų10592.9 Ų92.949%0.49143%0.429SS..Hα-helixtrans-61-40.5178.4-161.268.415.600112.3E3 T4 L5 F10 T11E3-Q7 WeakPolarHBondContact O-CB 3.48Å; E3-Q7 PolarHBondContact O-N 3.18Å; T4-Q7 PolarHBondContact O-N 3.28Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 3.17Å; Q7-F10 PolarHBondContact O-N 3.46Å; Q7-T11 VanDerWaalsContact O-CB 3.31Å; Q7-T11 WeakPolarHBondContact O-CB 3.4Å; Q7-T11 PolarHBondContact O-N 3.21Å; Q7-T11 PolarHBondContact O-OG1 2.99Å
8L91.1Very high89.6Confident51 Ų5191.6 Ų91.627%0.26743%0.425SS..Hα-helixtrans-65.7-46177.1-74.1169.6000112.1T4 L5 F6 F10 T11 S12 V69 V72 A73 V76T4-L8 WeakPolarHBondContact O-CB 3.38Å; T4-L8 VanDerWaalsContact O-CG 3.25Å; T4-L8 WeakPolarHBondContact O-CG 3.31Å; T4-L8 PolarHBondContact O-N 2.93Å; L5-L8 PolarHBondContact O-N 3.42Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 3.09Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 PolarHBondContact O-N 3.5Å; L8-T11 PolarHBondContact O-N 2.89Å; L8-S12 WeakPolarHBondContact O-CB 3.43Å; L8-S12 PolarHBondContact O-N 3.27Å; L8-V69 HydrophobicContact CB-CG1 4.49Å; L8-V69 HydrophobicContact CD2-CG1 4.15Å; L8-V69 WeakPolarHBondContact O-CG1 3.49Å; L8-V72 HydrophobicContact CD1-CG1 4.35Å; L8-A73 HydrophobicContact CB-CB 3.9Å; L8-V76 HydrophobicContact CD1-CG2 4.21Å
9R91.8Very high89.8Confident90 Ų9087.1 Ų87.134%0.3441%0.405SS..Hα-helixtrans-64-39.9175.9-71.3-66.7-169.1168.12.9112L5 F6 S12 K13 D70 A73L5-R9 WeakPolarHBondContact O-CG 3.28Å; L5-R9 PolarHBondContact O-N 2.96Å; F6-R9 PolarHBondContact O-N 2.81Å; R9-S12 PolarHBondContact O-N 3.29Å; R9-K13 PolarHBondContact O-N 3.46Å; R9-K13 VanDerWaalsContact O-N 3.11Å; R9-D70 IonicContact CZ-OD1 3.37Å; R9-D70 IonicContact NE-OD1 3.62Å; R9-D70 VanDerWaalsContact NH1-CG 3.26Å; R9-D70 IonicContact NH1-OD1 2.82Å; R9-D70 PolarHBondContact NH1-OD1 3.39Å; R9-D70 IonicContact NH1-OD2 3.62Å; R9-D70 PolarHBondContact NH1-OD2 3.5Å; R9-D70 VanDerWaalsContact NH1-OD2 3.15Å; R9-A73 HydrophobicContact CG-CB 4.06Å
10F93.9Very high90.1Very high102 Ų10289.3 Ų89.345%0.44741%0.413SS..Hα-helixtrans-62.7-47.1175.3-178.4-97.3000111.4F6 Q7 L8 S12 K13 Q14F6-F10 VanDerWaalsContact O-CB 3.25Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.02Å; Q7-F10 PolarHBondContact O-N 3.46Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 PolarHBondContact O-N 3.5Å; F10-S12 PolarHBondContact O-N 2.76Å; F10-K13 PolarHBondContact O-N 3.13Å; F10-Q14 WeakPolarHBondContact O-CB 3.3Å; F10-Q14 PolarHBondContact O-N 2.84Å
11T92.3Very high90.4Very high46 Ų4691 Ų9128%0.28242%0.42SS..Hα-helixtrans-61.6-44.3177.5-55.50000110.8Q7 L8 K13 Q14 L15Q7-T11 VanDerWaalsContact O-CB 3.31Å; Q7-T11 WeakPolarHBondContact O-CB 3.4Å; Q7-T11 PolarHBondContact O-N 3.21Å; Q7-T11 PolarHBondContact O-OG1 2.99Å; L8-T11 PolarHBondContact O-N 2.89Å; T11-K13 PolarHBondContact O-N 3.49Å; T11-Q14 WeakPolarHBondContact O-CB 3.37Å; T11-Q14 PolarHBondContact O-N 2.94Å; T11-Q14 VanDerWaalsContact O-N 3.11Å; T11-L15 HydrophobicContact CG2-CD1 4.21Å; T11-L15 HydrophobicContact CG2-CG 4.35Å; T11-L15 VanDerWaalsContact O-CG 3.28Å; T11-L15 WeakPolarHBondContact O-CG 3.47Å; T11-L15 PolarHBondContact O-N 2.92Å
12S92.3Very high91.5Very high1 Ų185.3 Ų85.31%0.00739%0.392CS..Hα-helixtrans-53.4-52.9174.6178.50000111.8L8 R9 F10 Q14 L15 E16 A66L8-S12 WeakPolarHBondContact O-CB 3.43Å; L8-S12 PolarHBondContact O-N 3.27Å; R9-S12 PolarHBondContact O-N 3.29Å; F10-S12 PolarHBondContact O-N 2.76Å; S12-Q14 VanDerWaalsContact C-N 3.3Å; S12-Q14 PolarHBondContact O-N 3.38Å; S12-L15 WeakPolarHBondContact O-CB 3.49Å; S12-L15 PolarHBondContact O-N 3.07Å; S12-L15 VanDerWaalsContact O-N 3.15Å; S12-E16 PolarHBondContact O-N 2.88Å; S12-A66 PolarHBondContact OG-O 3.38Å
13K94.5Very high92.2Very high140 Ų14083.4 Ų83.461%0.60938%0.384SS*.Hα-helixtrans-62.1-34.5176.3-83.6-168.4174.7-178.80113.5R9 F10 T11 R17R9-K13 PolarHBondContact O-N 3.46Å; R9-K13 VanDerWaalsContact O-N 3.11Å; F10-K13 PolarHBondContact O-N 3.13Å; T11-K13 PolarHBondContact O-N 3.49Å; K13-R17 WeakPolarHBondContact O-CG 3.31Å; K13-R17 PolarHBondContact O-N 2.84Å
14Q94.7Very high92.7Very high97 Ų9782.3 Ų82.345%0.45338%0.376SS..Hα-helixtrans-66.3-41.8176.4-169.8176.19.500111F10 T11 S12 R17 L18F10-Q14 WeakPolarHBondContact O-CB 3.3Å; F10-Q14 PolarHBondContact O-N 2.84Å; T11-Q14 WeakPolarHBondContact O-CB 3.37Å; T11-Q14 PolarHBondContact O-N 2.94Å; T11-Q14 VanDerWaalsContact O-N 3.11Å; S12-Q14 VanDerWaalsContact C-N 3.3Å; S12-Q14 PolarHBondContact O-N 3.38Å; Q14-R17 PolarHBondContact O-N 3.09Å; Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.49Å
15L93.7Very high93.2Very high19 Ų1981.5 Ų81.510%0.09937%0.367CS..Hα-helixtrans-64.6-41.2175.5-64.5173.6000111.7T11 S12 R17 L18 A19 W62 M65 A66 V69T11-L15 HydrophobicContact CG2-CD1 4.21Å; T11-L15 HydrophobicContact CG2-CG 4.35Å; T11-L15 VanDerWaalsContact O-CG 3.28Å; T11-L15 WeakPolarHBondContact O-CG 3.47Å; T11-L15 PolarHBondContact O-N 2.92Å; S12-L15 WeakPolarHBondContact O-CB 3.49Å; S12-L15 PolarHBondContact O-N 3.07Å; S12-L15 VanDerWaalsContact O-N 3.15Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 2.81Å; L15-A19 PolarHBondContact O-N 3.35Å; L15-W62 HydrophobicContact CD2-CE3 3.54Å; L15-W62 HydrophobicContact CD2-CZ3 3.64Å; L15-M65 HydrophobicContact CD1-CB 4.13Å; L15-A66 HydrophobicContact CB-CB 3.75Å; L15-V69 HydrophobicContact CD1-CG2 4.09Å
16E94.1Very high93.3Very high76 Ų7680.7 Ų80.736%0.35536%0.363SS..Hα-helixtrans-60.7-40.4173.2-71.2-178.8177.900112.6S12 L18 A19 K20 A66S12-E16 PolarHBondContact O-N 2.88Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-A19 WeakPolarHBondContact O-CB 3.44Å; E16-A19 PolarHBondContact O-N 2.92Å; E16-K20 WeakPolarHBondContact O-CG 3.49Å; E16-K20 PolarHBondContact O-N 3.17Å; E16-A66 HydrophobicContact CG-CB 3.82Å
17R95.9Very high93.3Very high187 Ų18780.3 Ų80.371%0.70636%0.363SS*.Hα-helixtrans-64.4-39.9175.2-77.3178.3176.1172.9-1111.7K13 Q14 L15 K20 K21K13-R17 WeakPolarHBondContact O-CG 3.31Å; K13-R17 PolarHBondContact O-N 2.84Å; Q14-R17 PolarHBondContact O-N 3.09Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 3.38Å; R17-K20 PolarHBondContact O-N 2.82Å; R17-K21 WeakPolarHBondContact O-CB 3.41Å; R17-K21 PolarHBondContact O-N 3.23Å
18L93Very high93.4Very high68 Ų6881.8 Ų81.836%0.35637%0.368SS..Hα-helixtrans-65.7-40.3175.3-70.8172.9000111.5Q14 L15 E16 K21 A22 W62Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.49Å; L15-L18 PolarHBondContact O-N 2.81Å; E16-L18 VanDerWaalsContact C-N 3.34Å; L18-K21 PolarHBondContact O-N 2.96Å; L18-A22 WeakPolarHBondContact O-CB 3.3Å; L18-A22 PolarHBondContact O-N 3.29Å; L18-W62 HydrophobicContact CB-CG 4.42Å
19A93Very high93.3Very high6 Ų681.1 Ų81.15%0.0536%0.363CS..Hα-helixtrans-58.5-51.1173.800000111.4L15 E16 K21 A22 E23 W62 L63L15-A19 PolarHBondContact O-N 3.35Å; E16-A19 WeakPolarHBondContact O-CB 3.44Å; E16-A19 PolarHBondContact O-N 2.92Å; A19-K21 VanDerWaalsContact C-N 3.28Å; A19-K21 PolarHBondContact O-N 3Å; A19-A22 PolarHBondContact O-N 3.38Å; A19-A22 VanDerWaalsContact O-N 3.13Å; A19-E23 PolarHBondContact O-N 3.04Å; A19-W62 HydrophobicContact CB-CB 3.79Å; A19-L63 HydrophobicContact CB-CB 4.24Å
20K95.3Very high93.2Very high132 Ų13281 Ų8157%0.57437%0.367SS*.Hα-helixtrans-60.8-35.2176.2-73.2179.3178.7176.50112.8E16 R17 K24E16-K20 WeakPolarHBondContact O-CG 3.49Å; E16-K20 PolarHBondContact O-N 3.17Å; R17-K20 PolarHBondContact O-N 2.82Å; K20-K24 WeakPolarHBondContact O-CG 3.37Å; K20-K24 PolarHBondContact O-N 3.19Å; K20-K24 VanDerWaalsContact O-N 3.17Å
21K95.4Very high93.2Very high125 Ų12578.5 Ų78.554%0.54337%0.365SS..Hα-helixtrans-67.9-43175.6-172.3-178.9176.1-173.90111.2R17 L18 A19 K24 E25R17-K21 WeakPolarHBondContact O-CB 3.41Å; R17-K21 PolarHBondContact O-N 3.23Å; L18-K21 PolarHBondContact O-N 2.96Å; A19-K21 VanDerWaalsContact C-N 3.28Å; A19-K21 PolarHBondContact O-N 3Å; K21-K24 PolarHBondContact O-N 3.02Å; K21-E25 WeakPolarHBondContact CE-OE1 3.32Å; K21-E25 WeakPolarHBondContact O-CG 3.32Å; K21-E25 PolarHBondContact O-N 3.34Å
22A93Very high93Very high5 Ų580.5 Ų80.54%0.04137%0.37CS..Hα-helixtrans-64-38.9177.300000112.1L18 A19 E25 S26L18-A22 WeakPolarHBondContact O-CB 3.3Å; L18-A22 PolarHBondContact O-N 3.29Å; A19-A22 PolarHBondContact O-N 3.38Å; A19-A22 VanDerWaalsContact O-N 3.13Å; A22-E25 PolarHBondContact O-N 2.81Å; A22-S26 WeakPolarHBondContact O-CB 3.4Å; A22-S26 PolarHBondContact O-N 3.35Å
23E92.6Very high92.9Very high106 Ų10681.6 Ų81.650%0.49538%0.376SS..Hα-helixtrans-60.6-48172.2-79.4-175.4145.900112.2A19 E25 S26 E27A19-E23 PolarHBondContact O-N 3.04Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.74Å; E23-S26 WeakPolarHBondContact O-CA 3.37Å; E23-S26 WeakPolarHBondContact O-CB 3.37Å; E23-S26 PolarHBondContact O-N 3.16Å; E23-S26 VanDerWaalsContact O-N 3.1Å; E23-E27 PolarHBondContact O-N 2.94Å
24K95.6Very high92.5Very high138 Ų13881.8 Ų81.860%0.638%0.377SS*.Hα-helixtrans-60.8-37.4176.1-74.4-177.8179.2-174.30112.7K20 K21 K28K20-K24 WeakPolarHBondContact O-CG 3.37Å; K20-K24 PolarHBondContact O-N 3.19Å; K20-K24 VanDerWaalsContact O-N 3.17Å; K21-K24 PolarHBondContact O-N 3.02Å; K24-K28 WeakPolarHBondContact O-CG 3.41Å; K24-K28 PolarHBondContact O-N 2.97Å
25E93.2Very high92.3Very high61 Ų6183.6 Ų83.629%0.28538%0.384SS..Hα-helixtrans-66.7-41.2174.2-75.4177.8-171.500111.3K21 A22 E23 E27 K28 E29 K55K21-E25 WeakPolarHBondContact CE-OE1 3.32Å; K21-E25 WeakPolarHBondContact O-CG 3.32Å; K21-E25 PolarHBondContact O-N 3.34Å; A22-E25 PolarHBondContact O-N 2.81Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.74Å; E25-E27 PolarHBondContact O-N 3.45Å; E25-K28 PolarHBondContact O-N 3.04Å; E25-E29 PolarHBondContact O-N 2.91Å; E25-K55 HydrophobicContact CB-CD 4.24Å; E25-K55 WeakPolarHBondContact OE2-CE 3.09Å; E25-K55 IonicContact OE2-NZ 3.15Å; E25-K55 PolarHBondContact OE2-NZ 3.34Å
26S90Very high91.8Very high5 Ų583 Ų834%0.03538%0.381CS..Hα-helixtrans-58.8-46.4173.7168.60000112A22 E23 K28 E29 Q30 A52A22-S26 WeakPolarHBondContact O-CB 3.4Å; A22-S26 PolarHBondContact O-N 3.35Å; E23-S26 WeakPolarHBondContact O-CA 3.37Å; E23-S26 WeakPolarHBondContact O-CB 3.37Å; E23-S26 PolarHBondContact O-N 3.16Å; E23-S26 VanDerWaalsContact O-N 3.1Å; S26-K28 VanDerWaalsContact C-N 3.31Å; S26-K28 PolarHBondContact O-N 3.45Å; S26-E29 PolarHBondContact O-N 3.28Å; S26-Q30 WeakPolarHBondContact O-CG 3.34Å; S26-Q30 PolarHBondContact O-N 3.32Å; S26-A52 PolarHBondContact OG-O 3.45Å
27E93Very high91.3Very high126 Ų12684.2 Ų84.259%0.58939%0.39SS*.Hα-helixtrans-60.6-39.6177.4-71.8177.717000112.5E23 E25 Q30 A31E23-E27 PolarHBondContact O-N 2.94Å; E25-E27 PolarHBondContact O-N 3.45Å; E27-Q30 PolarHBondContact O-N 3.41Å; E27-A31 PolarHBondContact O-N 3.48Å
28K93.9Very high90.9Very high137 Ų13783 Ų8360%0.59639%0.392SS*.Hα-helixtrans-63.3-43175.5-72.8174.2-175.9-178.10111.7K24 E25 S26 A31 K32K24-K28 WeakPolarHBondContact O-CG 3.41Å; K24-K28 PolarHBondContact O-N 2.97Å; E25-K28 PolarHBondContact O-N 3.04Å; S26-K28 VanDerWaalsContact C-N 3.31Å; S26-K28 PolarHBondContact O-N 3.45Å; K28-A31 WeakPolarHBondContact O-CB 3.33Å; K28-A31 PolarHBondContact O-N 2.99Å; K28-K32 WeakPolarHBondContact O-CG 3.36Å; K28-K32 PolarHBondContact O-N 3.24Å; K28-K32 VanDerWaalsContact O-N 3.11Å
29E88.9Confident90.6Very high36 Ų3686.9 Ų86.917%0.16841%0.408CS..Hα-helixtrans-66.4-39.5176.4-66.8-53.8139.100111.4E25 S26 A31 K32 V33 Y48 N51 A52E25-E29 PolarHBondContact O-N 2.91Å; S26-E29 PolarHBondContact O-N 3.28Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3.43Å; E29-K32 WeakPolarHBondContact O-CA 3.47Å; E29-K32 WeakPolarHBondContact O-CB 3.21Å; E29-K32 PolarHBondContact O-N 3.05Å; E29-K32 IonicContact OE1-NZ 2.91Å; E29-K32 PolarHBondContact OE1-NZ 3.25Å; E29-K32 WeakPolarHBondContact OE2-CD 3.32Å; E29-K32 IonicContact OE2-NZ 3.89Å; E29-V33 WeakPolarHBondContact O-CG2 3.45Å; E29-V33 PolarHBondContact O-N 2.89Å; E29-Y48 VanDerWaalsContact OE2-CD1 3.23Å; E29-Y48 WeakPolarHBondContact OE2-CD1 3.43Å; E29-N51 HydrophobicContact CG-CB 4.48Å; E29-A52 HydrophobicContact CB-CB 3.85Å
30Q89.6Confident90.4Very high87 Ų8795.5 Ų95.541%0.40745%0.445SS..Hα-helixtrans-60.5-38.2172.4-70.7178.15.900112.6S26 E27 K32 V33 K34 A52S26-Q30 WeakPolarHBondContact O-CG 3.34Å; S26-Q30 PolarHBondContact O-N 3.32Å; E27-Q30 PolarHBondContact O-N 3.41Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 3.41Å; Q30-V33 WeakPolarHBondContact O-CB 3.46Å; Q30-V33 PolarHBondContact O-N 3.12Å; Q30-K34 PolarHBondContact O-N 2.86Å; Q30-K34 VanDerWaalsContact O-N 3.09Å; Q30-A52 HydrophobicContact CG-CB 3.9Å
31A92.6Very high89.9Confident50 Ų5092.5 Ų92.541%0.41344%0.435SS..Hα-helixtrans-64.6-35.8174.300000112E27 K28 E29 K34 K35E27-A31 PolarHBondContact O-N 3.48Å; K28-A31 WeakPolarHBondContact O-CB 3.33Å; K28-A31 PolarHBondContact O-N 2.99Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3.43Å; A31-K34 PolarHBondContact O-N 2.89Å; A31-K35 WeakPolarHBondContact O-CG 3.31Å; A31-K35 PolarHBondContact O-N 3.47Å
32K88.6Confident89.5Confident89 Ų8991 Ų9139%0.38744%0.436SS..Hα-helixtrans-68.6-37.9173.3-67.2173.6-173.4171.30112.1K28 E29 Q30 K34 K35 A36 Y48K28-K32 WeakPolarHBondContact O-CG 3.36Å; K28-K32 PolarHBondContact O-N 3.24Å; K28-K32 VanDerWaalsContact O-N 3.11Å; E29-K32 WeakPolarHBondContact O-CA 3.47Å; E29-K32 WeakPolarHBondContact O-CB 3.21Å; E29-K32 PolarHBondContact O-N 3.05Å; E29-K32 IonicContact OE1-NZ 2.91Å; E29-K32 PolarHBondContact OE1-NZ 3.25Å; E29-K32 WeakPolarHBondContact OE2-CD 3.32Å; E29-K32 IonicContact OE2-NZ 3.89Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 3.41Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K32-K34 PolarHBondContact O-N 3.07Å; K32-K35 PolarHBondContact O-N 3.43Å; K32-A36 WeakPolarHBondContact O-CB 3.47Å; K32-A36 PolarHBondContact O-N 2.84Å; K32-Y48 HydrophobicContact CB-CD1 4.38Å; K32-Y48 HydrophobicContact CB-CD2 4.21Å; K32-Y48 HydrophobicContact CB-CG 4.15Å; K32-Y48 HydrophobicContact CD-CD1 4.26Å; K32-Y48 HydrophobicContact CD-CE1 4.15Å
33V89.6Confident89.1Confident23 Ų2396.7 Ų96.714%0.13946%0.462CS..Hα-helixtrans-56.5-48.8172.3176.30000110.4E29 Q30 K35 A36 L37 A45 Y48 A49E29-V33 WeakPolarHBondContact O-CG2 3.45Å; E29-V33 PolarHBondContact O-N 2.89Å; Q30-V33 WeakPolarHBondContact O-CB 3.46Å; Q30-V33 PolarHBondContact O-N 3.12Å; V33-K35 VanDerWaalsContact C-N 3.3Å; V33-K35 PolarHBondContact O-N 2.81Å; V33-A36 PolarHBondContact O-N 3.06Å; V33-L37 HydrophobicContact CG1-CD1 3.93Å; V33-L37 HydrophobicContact CG1-CG 4.32Å; V33-L37 WeakPolarHBondContact O-CG 3.48Å; V33-L37 PolarHBondContact O-N 2.69Å; V33-A45 HydrophobicContact CG1-CB 4.48Å; V33-Y48 VanDerWaalsContact CG2-C 3.47Å; V33-Y48 VanDerWaalsContact CG2-CB 3.49Å; V33-A49 HydrophobicContact CG2-CB 3.95Å; V33-A49 VanDerWaalsContact CG2-N 3.29Å
34K87.8Confident88.5Confident145 Ų14594.1 Ų94.163%0.6346%0.455SS*.Hα-helixtrans-57.3-42.6178.1-70178.3-178.5179.60112Q30 A31 K32 Q38Q30-K34 PolarHBondContact O-N 2.86Å; Q30-K34 VanDerWaalsContact O-N 3.09Å; A31-K34 PolarHBondContact O-N 2.89Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K32-K34 PolarHBondContact O-N 3.07Å; K34-Q38 WeakPolarHBondContact O-CG 3.39Å; K34-Q38 PolarHBondContact O-N 3.39Å
35K90.1Very high88Confident135 Ų13587.8 Ų87.859%0.58743%0.428SS*.Hα-helixtrans-67.2-42.2176.5-70-179.8-180-175.70112.7A31 K32 V33 L37 Q38 Q39A31-K35 WeakPolarHBondContact O-CG 3.31Å; A31-K35 PolarHBondContact O-N 3.47Å; K32-K35 PolarHBondContact O-N 3.43Å; V33-K35 VanDerWaalsContact C-N 3.3Å; V33-K35 PolarHBondContact O-N 2.81Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.16Å; K35-Q38 WeakPolarHBondContact O-CB 3.36Å; K35-Q38 PolarHBondContact O-N 2.96Å; K35-Q39 WeakPolarHBondContact O-CG 3.43Å; K35-Q39 PolarHBondContact O-N 3.31Å; K35-Q39 VanDerWaalsContact O-N 3.17Å
36A83.6Confident87.5Confident6 Ų692.8 Ų92.85%0.0544%0.444CS..Hα-helixtrans-65.2-36.4178.500000112.2K32 V33 Q39 K40 N41 A45 Y48K32-A36 WeakPolarHBondContact O-CB 3.47Å; K32-A36 PolarHBondContact O-N 2.84Å; V33-A36 PolarHBondContact O-N 3.06Å; A36-Q39 CarbonylContact O-C 3.59Å; A36-Q39 PolarHBondContact O-N 3.27Å; A36-K40 PolarHBondContact O-N 3.49Å; A36-N41 PolarHBondContact O-N 2.91Å; A36-N41 VanDerWaalsContact O-N 3.1Å; A36-A45 HydrophobicContact CB-CB 3.89Å; A36-Y48 HydrophobicContact CB-CD2 4.27Å
37L81.6Confident87.5Confident102 Ų10296.3 Ų96.353%0.53447%0.466SS..Hα-helixtrans-65.2-40173.7-71.8172.6000112.4V33 K35 Q39 K40 A45V33-L37 HydrophobicContact CG1-CD1 3.93Å; V33-L37 HydrophobicContact CG1-CG 4.32Å; V33-L37 WeakPolarHBondContact O-CG 3.48Å; V33-L37 PolarHBondContact O-N 2.69Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.16Å; L37-Q39 PolarHBondContact O-N 2.97Å; L37-K40 PolarHBondContact O-N 3.46Å; L37-A45 HydrophobicContact CD2-CB 3.82Å; L37-A45 HydrophobicContact CG-CB 3.98Å
38Q88.3Confident87.2Confident161 Ų16194.4 Ų94.475%0.75245%0.453SS*.Hα-helixtrans-62.5-32.9174.1-72.3172.4-11.800112.4K34 K35 K40K34-Q38 WeakPolarHBondContact O-CG 3.39Å; K34-Q38 PolarHBondContact O-N 3.39Å; K35-Q38 WeakPolarHBondContact O-CB 3.36Å; K35-Q38 PolarHBondContact O-N 2.96Å; Q38-K40 PolarHBondContact O-N 3.46Å
39Q87.9Confident86.9Confident149 Ų14989.4 Ų89.470%0.69644%0.438SS*.THydrogen-bonded Turntrans-81.24.8176.2-65.8174.1-1.100113.2K35 A36 L37 N41K35-Q39 WeakPolarHBondContact O-CG 3.43Å; K35-Q39 PolarHBondContact O-N 3.31Å; K35-Q39 VanDerWaalsContact O-N 3.17Å; A36-Q39 CarbonylContact O-C 3.59Å; A36-Q39 PolarHBondContact O-N 3.27Å; L37-Q39 PolarHBondContact O-N 2.97Å; Q39-N41 PolarHBondContact O-N 2.86Å; Q39-N41 VanDerWaalsContact O-N 3.11Å
40K87.3Confident86.9Confident187 Ų18794.2 Ų94.281%0.81346%0.46SS*.THydrogen-bonded Turntrans55.320.7-175.2-64-174.8176.9-176.30114.4A36 L37 Q38 V42A36-K40 PolarHBondContact O-N 3.49Å; L37-K40 PolarHBondContact O-N 3.46Å; Q38-K40 PolarHBondContact O-N 3.46Å; K40-V42 PolarHBondContact O-N 2.96Å
41N86Confident86.8Confident69 Ų6992.3 Ų92.337%0.36945%0.453SS..  trans-93.387.8177.3-170.9-17.8000110.2A36 Q39 C44 A45A36-N41 PolarHBondContact O-N 2.91Å; A36-N41 VanDerWaalsContact O-N 3.1Å; Q39-N41 PolarHBondContact O-N 2.86Å; Q39-N41 VanDerWaalsContact O-N 3.11Å; N41-C44 HydrophobicContact CB-CB 4.46Å; N41-C44 PolarHBondContact ND2-SG 3.11Å; N41-C44 PolarHBondContact OD1-N 2.89Å; N41-A45 WeakPolarHBondContact O-CB 3.25Å; N41-A45 PolarHBondContact O-N 3.34Å; N41-A45 VanDerWaalsContact O-N 3.13Å
42V85.7Confident86.5Confident93 Ų9390.1 Ų90.156%0.56444%0.435SS*.Hα-helixtrans-68.3-37.1-173.7-177.90000112.2K40 A45 R46K40-V42 PolarHBondContact O-N 2.96Å; V42-A45 PolarHBondContact O-N 3.45Å; V42-R46 PolarHBondContact O-N 3.3Å
43E84.9Confident86.6Confident126 Ų12690.8 Ų90.859%0.58944%0.442SS*.Hα-helixtrans-65.9-46-180-66.7-58.6131.600111.5A45 R46 V47E43-A45 PolarHBondContact O-N 3.19Å; E43-R46 PolarHBondContact O-N 3.38Å; E43-V47 PolarHBondContact O-N 2.87Å
44C80.6Confident86.7Confident51 Ų5195.6 Ų95.635%0.34546%0.457SS..Hα-helixtrans-66.6-36.8175.2-70.70000112.5N41 R46 V47 Y48N41-C44 HydrophobicContact CB-CB 4.46Å; N41-C44 PolarHBondContact ND2-SG 3.11Å; N41-C44 PolarHBondContact OD1-N 2.89Å; C44-R46 VanDerWaalsContact C-N 3.31Å; C44-R46 PolarHBondContact O-N 3.38Å; C44-V47 PolarHBondContact O-N 3.09Å; C44-Y48 HydrophobicContact CB-CE2 4.21Å; C44-Y48 WeakPolarHBondContact O-CD2 3.49Å; C44-Y48 PolarHBondContact O-N 2.85Å; C44-Y48 VanDerWaalsContact O-N 3.08Å
45A84.4Confident86.8Confident5 Ų590.9 Ų90.94%0.04144%0.437CS..Hα-helixtrans-62.2-38.6176.400000112V33 A36 L37 N41 V42 E43 Y48 A49V33-A45 HydrophobicContact CG1-CB 4.48Å; A36-A45 HydrophobicContact CB-CB 3.89Å; L37-A45 HydrophobicContact CD2-CB 3.82Å; L37-A45 HydrophobicContact CG-CB 3.98Å; N41-A45 WeakPolarHBondContact O-CB 3.25Å; N41-A45 PolarHBondContact O-N 3.34Å; N41-A45 VanDerWaalsContact O-N 3.13Å; V42-A45 PolarHBondContact O-N 3.45Å; E43-A45 PolarHBondContact O-N 3.19Å; A45-Y48 PolarHBondContact O-N 3.45Å; A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.22Å
46R83.7Confident86.9Confident167 Ų16789.9 Ų89.963%0.6343%0.433SS*.Hα-helixtrans-63.1-45.7176.6-177.1178.4-89.8169.3-8.6111.8V42 E43 C44 A49 E50V42-R46 PolarHBondContact O-N 3.3Å; E43-R46 PolarHBondContact O-N 3.38Å; C44-R46 VanDerWaalsContact C-N 3.31Å; C44-R46 PolarHBondContact O-N 3.38Å; R46-A49 PolarHBondContact O-N 3.12Å; R46-E50 PolarHBondContact O-N 3.41Å
47V89.8Confident87.1Confident79 Ų7994.1 Ų94.148%0.47945%0.454SS..Hα-helixtrans-63.8-42.3178.1176.20000112E43 C44 A49 E50 N51E43-V47 PolarHBondContact O-N 2.87Å; C44-V47 PolarHBondContact O-N 3.09Å; V47-A49 VanDerWaalsContact C-N 3.33Å; V47-A49 PolarHBondContact O-N 3.39Å; V47-E50 PolarHBondContact O-N 3.11Å; V47-N51 PolarHBondContact O-N 3.16Å; V47-N51 VanDerWaalsContact O-N 3.09Å; V47-N51 PolarHBondContact O-ND2 3.4Å
48Y86.2Confident87.4Confident85 Ų8592 Ų9233%0.33344%0.441SS..Hα-helixtrans-67-34.3175.9-67.5-50.6000112.4E29 K32 V33 A36 C44 A45 N51 A52E29-Y48 VanDerWaalsContact OE2-CD1 3.23Å; E29-Y48 WeakPolarHBondContact OE2-CD1 3.43Å; K32-Y48 HydrophobicContact CB-CD1 4.38Å; K32-Y48 HydrophobicContact CB-CD2 4.21Å; K32-Y48 HydrophobicContact CB-CG 4.15Å; K32-Y48 HydrophobicContact CD-CD1 4.26Å; K32-Y48 HydrophobicContact CD-CE1 4.15Å; V33-Y48 VanDerWaalsContact CG2-C 3.47Å; V33-Y48 VanDerWaalsContact CG2-CB 3.49Å; A36-Y48 HydrophobicContact CB-CD2 4.27Å; C44-Y48 HydrophobicContact CB-CE2 4.21Å; C44-Y48 WeakPolarHBondContact O-CD2 3.49Å; C44-Y48 PolarHBondContact O-N 2.85Å; C44-Y48 VanDerWaalsContact O-N 3.08Å; A45-Y48 PolarHBondContact O-N 3.45Å; Y48-N51 PolarHBondContact O-N 3.32Å; Y48-A52 WeakPolarHBondContact O-CB 3.33Å; Y48-A52 PolarHBondContact O-N 2.95Å
49A87.3Confident87.4Confident33 Ų3384.4 Ų84.427%0.27341%0.407SS..Hα-helixtrans-68.1-42.6176.900000111.7V33 A45 R46 V47 N51 A52 I53V33-A49 HydrophobicContact CG2-CB 3.95Å; V33-A49 VanDerWaalsContact CG2-N 3.29Å; A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.22Å; R46-A49 PolarHBondContact O-N 3.12Å; V47-A49 VanDerWaalsContact C-N 3.33Å; V47-A49 PolarHBondContact O-N 3.39Å; A49-N51 VanDerWaalsContact C-N 3.34Å; A49-N51 PolarHBondContact O-N 3.05Å; A49-A52 WeakPolarHBondContact O-CB 3.44Å; A49-A52 PolarHBondContact O-N 3.23Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 2.93Å
50E90.1Very high87.6Confident136 Ų13680.7 Ų80.764%0.63639%0.394SS*.Hα-helixtrans-60.5-44.9174.9-171.4179.6173.300111.4R46 V47 A52 I53 R54R46-E50 PolarHBondContact O-N 3.41Å; V47-E50 PolarHBondContact O-N 3.11Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3.36Å; E50-I53 PolarHBondContact O-N 3.4Å; E50-R54 WeakPolarHBondContact O-CB 3.33Å; E50-R54 PolarHBondContact O-N 2.83Å
51N86.5Confident87.7Confident48 Ų4876.2 Ų76.226%0.25738%0.379SS..Hα-helixtrans-62-39.7175.3-81.1-42.3000112.8E29 V47 Y48 A49 R54 K55E29-N51 HydrophobicContact CG-CB 4.48Å; V47-N51 PolarHBondContact O-N 3.16Å; V47-N51 VanDerWaalsContact O-N 3.09Å; V47-N51 PolarHBondContact O-ND2 3.4Å; Y48-N51 PolarHBondContact O-N 3.32Å; A49-N51 VanDerWaalsContact C-N 3.34Å; A49-N51 PolarHBondContact O-N 3.05Å; N51-R54 PolarHBondContact O-N 2.82Å; N51-R54 PolarHBondContact OD1-NH2 2.9Å; N51-K55 WeakPolarHBondContact O-CB 3.48Å; N51-K55 WeakPolarHBondContact O-CG 3.32Å; N51-K55 PolarHBondContact O-N 3.15Å
52A86.8Confident88Confident4 Ų477 Ų773%0.03338%0.377CS..Hα-helixtrans-62.8-46.1175.400000111.8S26 E29 Q30 Y48 A49 E50 K55 K56S26-A52 PolarHBondContact OG-O 3.45Å; E29-A52 HydrophobicContact CB-CB 3.85Å; Q30-A52 HydrophobicContact CG-CB 3.9Å; Y48-A52 WeakPolarHBondContact O-CB 3.33Å; Y48-A52 PolarHBondContact O-N 2.95Å; A49-A52 WeakPolarHBondContact O-CB 3.44Å; A49-A52 PolarHBondContact O-N 3.23Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3.36Å; A52-K55 PolarHBondContact O-N 3.11Å; A52-K56 WeakPolarHBondContact O-CB 3.39Å; A52-K56 PolarHBondContact O-N 3.39Å
53I89.9Confident88.2Confident103 Ų10376.9 Ų76.953%0.52837%0.373SS..Hα-helixtrans-62.9-45.1178.3-67.6169.7000110.5A49 E50 K55 K56 N57A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 2.93Å; E50-I53 PolarHBondContact O-N 3.4Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.43Å; I53-K56 PolarHBondContact O-N 3.01Å; I53-N57 PolarHBondContact O-N 2.92Å
54R92.2Very high88.5Confident123 Ų12377.4 Ų77.446%0.46437%0.369SS..Hα-helixtrans-57.8-46.8176.4-175.7175.563.398.7-11.3111.5E50 N51 N57 E58E50-R54 WeakPolarHBondContact O-CB 3.33Å; E50-R54 PolarHBondContact O-N 2.83Å; N51-R54 PolarHBondContact O-N 2.82Å; N51-R54 PolarHBondContact OD1-NH2 2.9Å; R54-N57 PolarHBondContact O-N 2.9Å; R54-E58 IonicContact CZ-OE1 2.69Å; R54-E58 IonicContact NH1-OE1 2.71Å; R54-E58 PolarHBondContact NH1-OE1 3.32Å; R54-E58 WeakPolarHBondContact O-CG 3.44Å; R54-E58 PolarHBondContact O-N 3.47Å
55K91.1Very high89Confident46 Ų4679.4 Ų79.420%0.238%0.375CS..Hα-helixtrans-65.4-37.8178.5-76.1-75.5172.5178.60113.1E25 N51 A52 I53 E58 G59E25-K55 HydrophobicContact CB-CD 4.24Å; E25-K55 WeakPolarHBondContact OE2-CE 3.09Å; E25-K55 IonicContact OE2-NZ 3.15Å; E25-K55 PolarHBondContact OE2-NZ 3.34Å; N51-K55 WeakPolarHBondContact O-CB 3.48Å; N51-K55 WeakPolarHBondContact O-CG 3.32Å; N51-K55 PolarHBondContact O-N 3.15Å; A52-K55 PolarHBondContact O-N 3.11Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.43Å; K55-E58 IonicContact NZ-OE2 3.96Å; K55-E58 PolarHBondContact NZ-OE2 3.31Å; K55-E58 PolarHBondContact O-N 3.49Å; K55-G59 PolarHBondContact O-N 3.38Å
56K91Very high89.3Confident115 Ų11579.2 Ų79.250%0.537%0.373SS..Hα-helixtrans-62-45.4172.9-171.3-176.3174.479.30111.1A52 I53 G59 V60A52-K56 WeakPolarHBondContact O-CB 3.39Å; A52-K56 PolarHBondContact O-N 3.39Å; I53-K56 PolarHBondContact O-N 3.01Å; K56-G59 PolarHBondContact O-N 2.88Å; K56-V60 WeakPolarHBondContact O-CG2 3.31Å; K56-V60 PolarHBondContact O-N 3.15Å
57N88.4Confident89.7Confident95 Ų9574.7 Ų74.751%0.50837%0.367SS..Hα-helixtrans-66-40.4177.5-72.6-12.1000112.3I53 R54 G59 V60 N61I53-N57 PolarHBondContact O-N 2.92Å; R54-N57 PolarHBondContact O-N 2.9Å; N57-G59 VanDerWaalsContact C-N 3.31Å; N57-G59 PolarHBondContact O-N 2.69Å; N57-V60 PolarHBondContact O-N 3.48Å; N57-N61 PolarHBondContact O-N 2.91Å
58E87.2Confident89.7Confident56 Ų5679 Ų7926%0.26238%0.375SS..Hα-helixtrans-56-46.6170.5-77.2173.6-162.800110.6R54 K55 V60 N61 W62R54-E58 IonicContact CZ-OE1 2.69Å; R54-E58 IonicContact NH1-OE1 2.71Å; R54-E58 PolarHBondContact NH1-OE1 3.32Å; R54-E58 WeakPolarHBondContact O-CG 3.44Å; R54-E58 PolarHBondContact O-N 3.47Å; K55-E58 IonicContact NZ-OE2 3.96Å; K55-E58 PolarHBondContact NZ-OE2 3.31Å; K55-E58 PolarHBondContact O-N 3.49Å; E58-V60 PolarHBondContact O-N 2.84Å; E58-N61 PolarHBondContact O-N 3.11Å; E58-W62 PolarHBondContact O-N 3.46Å
59G89Confident90Very high3 Ų376.4 Ų76.43%0.03137%0.368CS..Hα-helixtrans-58.4-46.6177.600000113.7K55 K56 N57 N61 W62 L63K55-G59 PolarHBondContact O-N 3.38Å; K56-G59 PolarHBondContact O-N 2.88Å; N57-G59 VanDerWaalsContact C-N 3.31Å; N57-G59 PolarHBondContact O-N 2.69Å; G59-N61 VanDerWaalsContact C-N 3.34Å; G59-N61 PolarHBondContact O-N 3.34Å; G59-W62 PolarHBondContact O-N 3.33Å; G59-L63 PolarHBondContact O-N 2.94Å
60V91.3Very high90.1Very high71 Ų7177.4 Ų77.443%0.4337%0.368SS..Hα-helixtrans-63.2-40.1177174.80000111.5K56 N57 E58 L63 R64K56-V60 WeakPolarHBondContact O-CG2 3.31Å; K56-V60 PolarHBondContact O-N 3.15Å; N57-V60 PolarHBondContact O-N 3.48Å; E58-V60 PolarHBondContact O-N 2.84Å; V60-L63 PolarHBondContact O-N 3.16Å; V60-R64 WeakPolarHBondContact O-CB 3.36Å; V60-R64 PolarHBondContact O-N 3.5Å
61N90.6Very high90.1Very high92 Ų9273.4 Ų73.449%0.49236%0.359SS..Hα-helixtrans-64.6-42.5175.7-96.1-4.8000112.1N57 E58 G59 L63 R64 M65N57-N61 PolarHBondContact O-N 2.91Å; E58-N61 PolarHBondContact O-N 3.11Å; G59-N61 VanDerWaalsContact C-N 3.34Å; G59-N61 PolarHBondContact O-N 3.34Å; N61-L63 VanDerWaalsContact C-N 3.35Å; N61-L63 PolarHBondContact O-N 2.93Å; N61-R64 PolarHBondContact O-N 3.3Å; N61-M65 WeakPolarHBondContact O-CG 3.44Å; N61-M65 PolarHBondContact O-N 3.14Å
62W91.1Very high90.2Very high87 Ų8774.8 Ų74.833%0.3337%0.368SS..Hα-helixtrans-61.7-42.8175.5-69.9125.9000112.2L15 L18 A19 E58 G59 M65 A66L15-W62 HydrophobicContact CD2-CE3 3.54Å; L15-W62 HydrophobicContact CD2-CZ3 3.64Å; L18-W62 HydrophobicContact CB-CG 4.42Å; A19-W62 HydrophobicContact CB-CB 3.79Å; E58-W62 PolarHBondContact O-N 3.46Å; G59-W62 PolarHBondContact O-N 3.33Å; W62-M65 HydrophobicContact CE3-SD 4.22Å; W62-M65 HydrophobicContact CZ3-CE 4.28Å; W62-M65 HydrophobicContact CZ3-SD 4.23Å; W62-M65 PolarHBondContact O-N 2.87Å; W62-A66 WeakPolarHBondContact O-CB 3.28Å; W62-A66 PolarHBondContact O-N 3.34Å
63L90.8Very high90.4Very high89 Ų8974.6 Ų74.647%0.46637%0.367SS..Hα-helixtrans-62.6-45.5176.3-174.963.8000111.4A19 G59 V60 N61 M65 A66 S67A19-L63 HydrophobicContact CB-CB 4.24Å; G59-L63 PolarHBondContact O-N 2.94Å; V60-L63 PolarHBondContact O-N 3.16Å; N61-L63 VanDerWaalsContact C-N 3.35Å; N61-L63 PolarHBondContact O-N 2.93Å; L63-M65 VanDerWaalsContact C-N 3.33Å; L63-M65 PolarHBondContact O-N 2.93Å; L63-A66 WeakPolarHBondContact O-CB 3.47Å; L63-A66 PolarHBondContact O-N 3Å; L63-A66 VanDerWaalsContact O-N 3.16Å; L63-S67 PolarHBondContact O-N 3.46Å; L63-S67 PolarHBondContact O-OG 2.84Å
64R91.4Very high90.4Very high137 Ų13772.3 Ų72.352%0.51736%0.36SS..Hα-helixtrans-60.7-41.6176.5-173.5-177.8-67.6177.8-2.6112V60 N61 R68V60-R64 WeakPolarHBondContact O-CB 3.36Å; V60-R64 PolarHBondContact O-N 3.5Å; N61-R64 PolarHBondContact O-N 3.3Å; R64-R68 VanDerWaalsContact O-CG 3.31Å; R64-R68 WeakPolarHBondContact O-CG 3.29Å; R64-R68 PolarHBondContact O-N 3.16Å; R64-R68 VanDerWaalsContact O-N 3.14Å
65M90.1Very high90.2Very high94 Ų9474.1 Ų74.146%0.46337%0.371SS..Hα-helixtrans-65.4-41.8174.7-75.3174.470.200111.5L15 N61 W62 L63 R68 V69L15-M65 HydrophobicContact CD1-CB 4.13Å; N61-M65 WeakPolarHBondContact O-CG 3.44Å; N61-M65 PolarHBondContact O-N 3.14Å; W62-M65 HydrophobicContact CE3-SD 4.22Å; W62-M65 HydrophobicContact CZ3-CE 4.28Å; W62-M65 HydrophobicContact CZ3-SD 4.23Å; W62-M65 PolarHBondContact O-N 2.87Å; L63-M65 VanDerWaalsContact C-N 3.33Å; L63-M65 PolarHBondContact O-N 2.93Å; M65-R68 PolarHBondContact O-N 3.27Å; M65-V69 VanDerWaalsContact O-CG2 3.3Å; M65-V69 WeakPolarHBondContact O-CG2 3.49Å; M65-V69 PolarHBondContact O-N 3.41Å
66A91.4Very high90Very high0 Ų073.8 Ų73.80%037%0.373CS..Hα-helixtrans-58.3-49.9176.100000111.5S12 L15 E16 W62 L63 R68 V69 D70S12-A66 PolarHBondContact OG-O 3.38Å; L15-A66 HydrophobicContact CB-CB 3.75Å; E16-A66 HydrophobicContact CG-CB 3.82Å; W62-A66 WeakPolarHBondContact O-CB 3.28Å; W62-A66 PolarHBondContact O-N 3.34Å; L63-A66 WeakPolarHBondContact O-CB 3.47Å; L63-A66 PolarHBondContact O-N 3Å; L63-A66 VanDerWaalsContact O-N 3.16Å; A66-R68 VanDerWaalsContact C-N 3.31Å; A66-R68 PolarHBondContact O-N 2.81Å; A66-V69 PolarHBondContact O-N 3.47Å; A66-V69 VanDerWaalsContact O-N 3.16Å; A66-D70 PolarHBondContact O-N 3.4Å
67S90.9Very high89.9Confident72 Ų7271.7 Ų71.750%0.50337%0.365SS..Hα-helixtrans-59.9-39.8178.1-54.30000112.6L63 D70 A71L63-S67 PolarHBondContact O-N 3.46Å; L63-S67 PolarHBondContact O-OG 2.84Å; S67-D70 PolarHBondContact O-N 2.76Å; S67-A71 WeakPolarHBondContact O-CB 3.25Å; S67-A71 PolarHBondContact O-N 3.01Å
68R90.4Very high89.9Confident170 Ų17071.3 Ų71.364%0.64237%0.366SS*.Hα-helixtrans-65-44.2175.7-73.6174.4176.4-166.9-1.9111.9R64 M65 A66 D70 A71 V72R64-R68 VanDerWaalsContact O-CG 3.31Å; R64-R68 WeakPolarHBondContact O-CG 3.29Å; R64-R68 PolarHBondContact O-N 3.16Å; R64-R68 VanDerWaalsContact O-N 3.14Å; M65-R68 PolarHBondContact O-N 3.27Å; A66-R68 VanDerWaalsContact C-N 3.31Å; A66-R68 PolarHBondContact O-N 2.81Å; R68-D70 VanDerWaalsContact C-N 3.35Å; R68-A71 PolarHBondContact O-N 2.84Å; R68-V72 WeakPolarHBondContact O-CG2 3.31Å; R68-V72 PolarHBondContact O-N 3.45Å; R68-V72 VanDerWaalsContact O-N 3.12Å
69V91.9Very high89.8Confident31 Ų3171.3 Ų71.319%0.18838%0.376CS..Hα-helixtrans-65.4-39.8177.9173.30000110.7L8 L15 M65 A66 V72 A73L8-V69 HydrophobicContact CB-CG1 4.49Å; L8-V69 HydrophobicContact CD2-CG1 4.15Å; L8-V69 WeakPolarHBondContact O-CG1 3.49Å; L15-V69 HydrophobicContact CD1-CG2 4.09Å; M65-V69 VanDerWaalsContact O-CG2 3.3Å; M65-V69 WeakPolarHBondContact O-CG2 3.49Å; M65-V69 PolarHBondContact O-N 3.41Å; A66-V69 PolarHBondContact O-N 3.47Å; A66-V69 VanDerWaalsContact O-N 3.16Å; V69-V72 PolarHBondContact O-N 3.19Å; V69-A73 WeakPolarHBondContact O-CB 3.45Å; V69-A73 PolarHBondContact O-N 2.69Å
70D89.6Confident89.8Confident54 Ų5472 Ų7229%0.28938%0.38SS..Hα-helixtrans-65.7-41177.5-158.463.3000112.4R9 A66 S67 R68 V72 A73 S74R9-D70 IonicContact CZ-OD1 3.37Å; R9-D70 IonicContact NE-OD1 3.62Å; R9-D70 VanDerWaalsContact NH1-CG 3.26Å; R9-D70 IonicContact NH1-OD1 2.82Å; R9-D70 PolarHBondContact NH1-OD1 3.39Å; R9-D70 IonicContact NH1-OD2 3.62Å; R9-D70 PolarHBondContact NH1-OD2 3.5Å; R9-D70 VanDerWaalsContact NH1-OD2 3.15Å; A66-D70 PolarHBondContact O-N 3.4Å; S67-D70 PolarHBondContact O-N 2.76Å; R68-D70 VanDerWaalsContact C-N 3.35Å; D70-V72 VanDerWaalsContact C-N 3.31Å; D70-V72 PolarHBondContact O-N 3Å; D70-A73 WeakPolarHBondContact O-CB 3.5Å; D70-A73 PolarHBondContact O-N 3.15Å; D70-A73 VanDerWaalsContact O-N 3.16Å; D70-S74 WeakPolarHBondContact O-CB 3.25Å; D70-S74 PolarHBondContact O-N 3.07Å
71A89.7Confident89.5Confident52 Ų5272.2 Ų72.243%0.4338%0.381SS..Hα-helixtrans-60-42.1174.200000111.8S67 R68 S74 K75S67-A71 WeakPolarHBondContact O-CB 3.25Å; S67-A71 PolarHBondContact O-N 3.01Å; R68-A71 PolarHBondContact O-N 2.84Å; A71-S74 PolarHBondContact O-N 3.34Å; A71-K75 WeakPolarHBondContact O-CG 3.46Å; A71-K75 PolarHBondContact O-N 2.98Å; A71-K75 VanDerWaalsContact O-N 3.11Å
72V90.1Very high89.3Confident76 Ų7673.9 Ų73.946%0.46139%0.387SS..Hα-helixtrans-65.7-43.3174.5174.80000110.8L8 R68 V69 D70 S74 K75 V76L8-V72 HydrophobicContact CD1-CG1 4.35Å; R68-V72 WeakPolarHBondContact O-CG2 3.31Å; R68-V72 PolarHBondContact O-N 3.45Å; R68-V72 VanDerWaalsContact O-N 3.12Å; V69-V72 PolarHBondContact O-N 3.19Å; D70-V72 VanDerWaalsContact C-N 3.31Å; D70-V72 PolarHBondContact O-N 3Å; V72-S74 VanDerWaalsContact C-N 3.27Å; V72-S74 PolarHBondContact O-N 2.91Å; V72-K75 PolarHBondContact O-N 3.42Å; V72-V76 HydrophobicContact CG1-CG2 4.41Å; V72-V76 WeakPolarHBondContact O-CG2 3.28Å; V72-V76 PolarHBondContact O-N 3.28Å
73A89.8Confident89.1Confident0 Ų076 Ų760%040%0.399CS..Hα-helixtrans-59.8-38.7176.500000112L5 L8 R9 V69 D70 V76 Q77L5-A73 WeakPolarHBondContact CD1-O 3.27Å; L8-A73 HydrophobicContact CB-CB 3.9Å; R9-A73 HydrophobicContact CG-CB 4.06Å; V69-A73 WeakPolarHBondContact O-CB 3.45Å; V69-A73 PolarHBondContact O-N 2.69Å; D70-A73 WeakPolarHBondContact O-CB 3.5Å; D70-A73 PolarHBondContact O-N 3.15Å; D70-A73 VanDerWaalsContact O-N 3.16Å; A73-V76 PolarHBondContact O-N 3.28Å; A73-Q77 PolarHBondContact O-N 3.32Å
74S89.4Confident88.9Confident55 Ų5573.3 Ų73.339%0.38539%0.392SS..Hα-helixtrans-64.1-46175.9-165.30000111.8D70 A71 V72 V76 Q77 T78D70-S74 WeakPolarHBondContact O-CB 3.25Å; D70-S74 PolarHBondContact O-N 3.07Å; A71-S74 PolarHBondContact O-N 3.34Å; V72-S74 VanDerWaalsContact C-N 3.27Å; V72-S74 PolarHBondContact O-N 2.91Å; S74-V76 VanDerWaalsContact C-N 3.32Å; S74-V76 PolarHBondContact O-N 2.88Å; S74-Q77 WeakPolarHBondContact O-CB 3.28Å; S74-Q77 PolarHBondContact O-N 3.21Å; S74-Q77 VanDerWaalsContact O-N 3.11Å; S74-T78 PolarHBondContact O-N 3.26Å; S74-T78 PolarHBondContact O-OG1 3.48Å
75K87.9Confident88.7Confident162 Ų16270.4 Ų70.470%0.70439%0.389SS*.Hα-helixtrans-60.4-41.3174.6-69-178.7-177.6-169.70112.3A71 V72 Q77 T78 A79A71-K75 WeakPolarHBondContact O-CG 3.46Å; A71-K75 PolarHBondContact O-N 2.98Å; A71-K75 VanDerWaalsContact O-N 3.11Å; V72-K75 PolarHBondContact O-N 3.42Å; K75-Q77 VanDerWaalsContact C-N 3.34Å; K75-T78 PolarHBondContact O-N 2.86Å; K75-A79 PolarHBondContact O-N 3.45Å; K75-A79 VanDerWaalsContact O-N 3.07Å
76V88.9Confident88.6Confident38 Ų3870.1 Ų70.123%0.2339%0.393CS..Hα-helixtrans-65.6-37.7175.7176.20000110.9L5 L8 V72 A73 S74 A79 V80L5-V76 HydrophobicContact CB-CG1 4.15Å; L5-V76 HydrophobicContact CD1-CB 4.13Å; L5-V76 HydrophobicContact CD1-CG1 3.89Å; L8-V76 HydrophobicContact CD1-CG2 4.21Å; V72-V76 HydrophobicContact CG1-CG2 4.41Å; V72-V76 WeakPolarHBondContact O-CG2 3.28Å; V72-V76 PolarHBondContact O-N 3.28Å; A73-V76 PolarHBondContact O-N 3.28Å; S74-V76 VanDerWaalsContact C-N 3.32Å; S74-V76 PolarHBondContact O-N 2.88Å; V76-A79 PolarHBondContact O-N 3.45Å; V76-V80 HydrophobicContact CG1-CG2 4.31Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.01Å
77Q88.4Confident88.5Confident71 Ų7176.8 Ų76.833%0.33242%0.422SS..Hα-helixtrans-58.7-50.6175.3-173.657.953.400110.8L5 A73 S74 K75 A79 V80 T81L5-Q77 HydrophobicContact CD1-CB 3.6Å; L5-Q77 HydrophobicContact CD1-CG 4.36Å; L5-Q77 VanDerWaalsContact CD1-OE1 3.23Å; A73-Q77 PolarHBondContact O-N 3.32Å; S74-Q77 WeakPolarHBondContact O-CB 3.28Å; S74-Q77 PolarHBondContact O-N 3.21Å; S74-Q77 VanDerWaalsContact O-N 3.11Å; K75-Q77 VanDerWaalsContact C-N 3.34Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 2.97Å; Q77-V80 PolarHBondContact O-N 3.37Å; Q77-V80 VanDerWaalsContact O-N 3.16Å; Q77-T81 PolarHBondContact NE2-OG1 3.05Å; Q77-T81 PolarHBondContact O-N 3.47Å; Q77-T81 PolarHBondContact O-OG1 2.94Å; Q77-T81 VanDerWaalsContact O-OG1 3.09Å
78T88.5Confident88.4Confident87 Ų8777.9 Ų77.953%0.53442%0.422SS..Hα-helixtrans-58-44.5178.5-570000110.8S74 K75 V80 T81 M82S74-T78 PolarHBondContact O-N 3.26Å; S74-T78 PolarHBondContact O-OG1 3.48Å; K75-T78 PolarHBondContact O-N 2.86Å; T78-V80 PolarHBondContact O-N 3.41Å; T78-T81 PolarHBondContact O-N 2.94Å; T78-M82 WeakPolarHBondContact O-CB 3.45Å; T78-M82 PolarHBondContact O-N 3.15Å
79A85.5Confident88.2Confident56 Ų5675.7 Ų75.746%0.46342%0.421SS..Hα-helixtrans-62.7-40177.300000112.9K75 V76 Q77 K83K75-A79 PolarHBondContact O-N 3.45Å; K75-A79 VanDerWaalsContact O-N 3.07Å; V76-A79 PolarHBondContact O-N 3.45Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 2.97Å; A79-K83 VanDerWaalsContact O-CB 3.3Å; A79-K83 WeakPolarHBondContact O-CB 3.42Å; A79-K83 PolarHBondContact O-N 2.79Å
80V87.1Confident87.9Confident19 Ų1975.6 Ų75.612%0.11543%0.426CS..Hα-helixtrans-66.7-47.7176.6171.10000111.2M1 E2 V76 Q77 T78 M82 K83 G84M1-V80 HydrophobicContact CB-CG2 3.89Å; M1-V80 HydrophobicContact SD-CG2 4.33Å; E2-V80 HydrophobicContact CG-CG1 3.94Å; V76-V80 HydrophobicContact CG1-CG2 4.31Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.01Å; Q77-V80 PolarHBondContact O-N 3.37Å; Q77-V80 VanDerWaalsContact O-N 3.16Å; T78-V80 PolarHBondContact O-N 3.41Å; V80-M82 PolarHBondContact O-N 2.98Å; V80-K83 PolarHBondContact O-N 2.72Å; V80-G84 PolarHBondContact O-N 3.29Å
81T86.6Confident87.8Confident75 Ų7578.5 Ų78.546%0.4644%0.438SS..Hα-helixtrans-60-47177-58.30000110.5Q77 T78 K83 G84 V85Q77-T81 PolarHBondContact NE2-OG1 3.05Å; Q77-T81 PolarHBondContact O-N 3.47Å; Q77-T81 PolarHBondContact O-OG1 2.94Å; Q77-T81 VanDerWaalsContact O-OG1 3.09Å; T78-T81 PolarHBondContact O-N 2.94Å; T81-K83 VanDerWaalsContact C-N 3.34Å; T81-K83 PolarHBondContact O-N 3.36Å; T81-G84 WeakPolarHBondContact O-CA 3.41Å; T81-G84 PolarHBondContact O-N 2.72Å; T81-V85 WeakPolarHBondContact O-CG2 3.43Å; T81-V85 PolarHBondContact O-N 3.47Å
82M86.8Confident87.6Confident127 Ų12780.1 Ų80.163%0.62644%0.443SS*.Hα-helixtrans-64.7-38.6-179.8-164.1152-17800111.7T78 V80 G84 V85 T86T78-M82 WeakPolarHBondContact O-CB 3.45Å; T78-M82 PolarHBondContact O-N 3.15Å; V80-M82 PolarHBondContact O-N 2.98Å; M82-G84 VanDerWaalsContact C-N 3.3Å; M82-G84 PolarHBondContact O-N 2.73Å; M82-V85 PolarHBondContact O-N 2.83Å; M82-T86 PolarHBondContact O-N 3.32Å; M82-T86 PolarHBondContact O-OG1 2.85Å
83K86.1Confident87.4Confident132 Ų13280.3 Ų80.357%0.57444%0.444SS*.Hα-helixtrans-60.2-39.5171-174.8178.2-179.2179.20112.1M1 A79 V80 T81 K87M1-K83 HydrophobicContact CE-CD 3.96Å; A79-K83 VanDerWaalsContact O-CB 3.3Å; A79-K83 WeakPolarHBondContact O-CB 3.42Å; A79-K83 PolarHBondContact O-N 2.79Å; V80-K83 PolarHBondContact O-N 2.72Å; T81-K83 VanDerWaalsContact C-N 3.34Å; T81-K83 PolarHBondContact O-N 3.36Å; K83-K87 WeakPolarHBondContact O-CB 3.04Å; K83-K87 PolarHBondContact O-N 3.48Å
84G86.7Confident87.2Confident31 Ų3188 Ų8832%0.3248%0.477SS..Hα-helixtrans-62.2-47.4173.500000112.3V80 T81 M82 K87 N88V80-G84 PolarHBondContact O-N 3.29Å; T81-G84 WeakPolarHBondContact O-CA 3.41Å; T81-G84 PolarHBondContact O-N 2.72Å; M82-G84 VanDerWaalsContact C-N 3.3Å; M82-G84 PolarHBondContact O-N 2.73Å; G84-K87 PolarHBondContact O-N 2.82Å; G84-N88 VanDerWaalsContact O-CG 3.3Å; G84-N88 PolarHBondContact O-N 3.29Å
85V87.8Confident86.8Confident76 Ų7688.4 Ų88.446%0.46148%0.484SS..Hα-helixtrans-60.5-47.51761750000111.1T81 M82 K87 N88 M89T81-V85 WeakPolarHBondContact O-CG2 3.43Å; T81-V85 PolarHBondContact O-N 3.47Å; M82-V85 PolarHBondContact O-N 2.83Å; V85-K87 VanDerWaalsContact C-N 3.32Å; V85-K87 PolarHBondContact O-N 3.46Å; V85-N88 PolarHBondContact O-N 2.84Å; V85-M89 HydrophobicContact CG1-CG 4.35Å; V85-M89 HydrophobicContact CG1-SD 4.38Å; V85-M89 WeakPolarHBondContact O-CG 3.44Å; V85-M89 PolarHBondContact O-N 3.37Å
86T87.4Confident86.3Confident89 Ų8984.7 Ų84.755%0.54647%0.472SS..Hα-helixtrans-60.5-40.6176.9-55.40000111.9M82 M89 G90M82-T86 PolarHBondContact O-N 3.32Å; M82-T86 PolarHBondContact O-OG1 2.85Å; T86-M89 PolarHBondContact O-N 3.39Å; T86-G90 PolarHBondContact O-N 3.26Å
87K89.9Confident85.8Confident140 Ų14087.6 Ų87.661%0.60949%0.486SS*.Hα-helixtrans-62.2-44.4175.5-176.1-176.8177.2-1740111.4K83 G84 V85 G90 Q91K83-K87 WeakPolarHBondContact O-CB 3.04Å; K83-K87 PolarHBondContact O-N 3.48Å; G84-K87 PolarHBondContact O-N 2.82Å; V85-K87 VanDerWaalsContact C-N 3.32Å; V85-K87 PolarHBondContact O-N 3.46Å; K87-G90 PolarHBondContact O-N 3.13Å; K87-Q91 PolarHBondContact O-N 3.02Å; K87-Q91 VanDerWaalsContact O-N 3.07Å
88N88.4Confident85.4Confident94 Ų9492 Ų9250%0.50350%0.504SS..Hα-helixtrans-66.7-45178.6-69-10.2000111.3G84 V85 G90 Q91 V92G84-N88 VanDerWaalsContact O-CG 3.3Å; G84-N88 PolarHBondContact O-N 3.29Å; V85-N88 PolarHBondContact O-N 2.84Å; N88-G90 VanDerWaalsContact C-N 3.29Å; N88-G90 PolarHBondContact O-N 3.1Å; N88-Q91 WeakPolarHBondContact O-CB 3.41Å; N88-Q91 PolarHBondContact O-N 3.37Å; N88-Q91 VanDerWaalsContact O-N 3.09Å; N88-V92 WeakPolarHBondContact O-CG2 3.49Å; N88-V92 PolarHBondContact O-N 3.06Å
89M84.9Confident84.6Confident124 Ų12489.8 Ų89.861%0.61149%0.494SS*.Hα-helixtrans-58.8-41.3173.4-73.9-168.685.200111.5V85 T86 Q91 V92 T93V85-M89 HydrophobicContact CG1-CG 4.35Å; V85-M89 HydrophobicContact CG1-SD 4.38Å; V85-M89 WeakPolarHBondContact O-CG 3.44Å; V85-M89 PolarHBondContact O-N 3.37Å; T86-M89 PolarHBondContact O-N 3.39Å; M89-Q91 VanDerWaalsContact C-N 3.29Å; M89-Q91 PolarHBondContact O-N 2.82Å; M89-V92 PolarHBondContact O-N 3.17Å; M89-T93 WeakPolarHBondContact O-CG2 3.41Å; M89-T93 PolarHBondContact O-N 2.72Å; M89-T93 PolarHBondContact O-OG1 3.25Å; M89-T93 VanDerWaalsContact O-OG1 3.09Å
90G86.2Confident83.7Confident29 Ų2991.1 Ų91.130%0.29949%0.493SS..Hα-helixtrans-63.7-30.4175.300000114.1T86 K87 N88 T93 K94T86-G90 PolarHBondContact O-N 3.26Å; K87-G90 PolarHBondContact O-N 3.13Å; N88-G90 VanDerWaalsContact C-N 3.29Å; N88-G90 PolarHBondContact O-N 3.1Å; G90-T93 WeakPolarHBondContact CA-OG1 2.99Å; G90-T93 PolarHBondContact O-OG1 3.41Å; G90-K94 WeakPolarHBondContact O-CB 3.13Å; G90-K94 VanDerWaalsContact O-CG 3.28Å; G90-K94 WeakPolarHBondContact O-CG 2.94Å; G90-K94 PolarHBondContact O-N 3.15Å
91Q88.3Confident82.9Confident115 Ų11596.7 Ų96.754%0.53752%0.522SS..Hα-helixtrans-74.7-41.9172.3-72.4-179.3-7.900111.5K87 N88 M89 K94 A95K87-Q91 PolarHBondContact O-N 3.02Å; K87-Q91 VanDerWaalsContact O-N 3.07Å; N88-Q91 WeakPolarHBondContact O-CB 3.41Å; N88-Q91 PolarHBondContact O-N 3.37Å; N88-Q91 VanDerWaalsContact O-N 3.09Å; M89-Q91 VanDerWaalsContact C-N 3.29Å; M89-Q91 PolarHBondContact O-N 2.82Å; Q91-K94 PolarHBondContact O-N 2.98Å; Q91-A95 WeakPolarHBondContact O-CB 3.21Å; Q91-A95 PolarHBondContact O-N 3.48Å
92V85.6Confident81.9Confident87 Ų8797.7 Ų97.753%0.52753%0.532SS..Hα-helixtrans-62.9-45176.81720000110.9N88 M89 A95 L96N88-V92 WeakPolarHBondContact O-CG2 3.49Å; N88-V92 PolarHBondContact O-N 3.06Å; M89-V92 PolarHBondContact O-N 3.17Å; V92-A95 PolarHBondContact O-N 2.97Å; V92-L96 HydrophobicContact CG1-CD1 4.06Å; V92-L96 WeakPolarHBondContact O-CB 3.47Å; V92-L96 PolarHBondContact O-N 2.97Å
93T84.4Confident80.3Confident80 Ų8094.7 Ų94.749%0.49152%0.517SS..Hα-helixtrans-64.7-41.2177.653.20000111.9M89 G90 A95 L96 D97M89-T93 WeakPolarHBondContact O-CG2 3.41Å; M89-T93 PolarHBondContact O-N 2.72Å; M89-T93 PolarHBondContact O-OG1 3.25Å; M89-T93 VanDerWaalsContact O-OG1 3.09Å; G90-T93 WeakPolarHBondContact CA-OG1 2.99Å; G90-T93 PolarHBondContact O-OG1 3.41Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.88Å; T93-L96 WeakPolarHBondContact O-CB 3.35Å; T93-L96 PolarHBondContact O-N 2.95Å; T93-D97 VanDerWaalsContact O-CB 3.31Å; T93-D97 WeakPolarHBondContact O-CB 3.41Å; T93-D97 PolarHBondContact O-N 3.49Å
94K86.2Confident79Confident161 Ų16194 Ų9470%0.752%0.519SS*.Hα-helixtrans-62.6-38.4172.7-77178.2-179.4-176.50112.9G90 Q91 D97 K98G90-K94 WeakPolarHBondContact O-CB 3.13Å; G90-K94 VanDerWaalsContact O-CG 3.28Å; G90-K94 WeakPolarHBondContact O-CG 2.94Å; G90-K94 PolarHBondContact O-N 3.15Å; Q91-K94 PolarHBondContact O-N 2.98Å; K94-D97 PolarHBondContact O-N 2.88Å; K94-K98 WeakPolarHBondContact O-CB 3.4Å; K94-K98 PolarHBondContact O-N 3.23Å
95A80.5Confident77.7Confident63 Ų6399.8 Ų99.852%0.52154%0.542SS..Hα-helixtrans-67.2-40.6175.700000111.5Q91 V92 T93 K98 A99Q91-A95 WeakPolarHBondContact O-CB 3.21Å; Q91-A95 PolarHBondContact O-N 3.48Å; V92-A95 PolarHBondContact O-N 2.97Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.88Å; A95-K98 PolarHBondContact O-N 2.99Å; A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 3.31Å
96L77.8Confident76.3Confident85 Ų85103.8 Ų103.845%0.44556%0.556SS.*Hα-helixtrans-62.3-44.8172.4-103.7150.8000111.9V92 T93 K98 A99 L100V92-L96 HydrophobicContact CG1-CD1 4.06Å; V92-L96 WeakPolarHBondContact O-CB 3.47Å; V92-L96 PolarHBondContact O-N 2.97Å; T93-L96 WeakPolarHBondContact O-CB 3.35Å; T93-L96 PolarHBondContact O-N 2.95Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.35Å; L96-A99 CarbonylContact O-C 3.41Å; L96-A99 WeakPolarHBondContact O-CB 3.31Å; L96-A99 PolarHBondContact O-N 3.32Å; L96-A99 VanDerWaalsContact O-N 3.13Å; L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 3.13Å
97D79.8Confident75Confident98 Ų98105.7 Ų105.752%0.52456%0.557SS.*Hα-helixtrans-65.1-39.2-179.9-15722.1000111.1T93 K94 N101T93-D97 VanDerWaalsContact O-CB 3.31Å; T93-D97 WeakPolarHBondContact O-CB 3.41Å; T93-D97 PolarHBondContact O-N 3.49Å; K94-D97 PolarHBondContact O-N 2.88Å; D97-N101 WeakPolarHBondContact O-CB 3.32Å; D97-N101 PolarHBondContact O-N 3.31Å; D97-N101 PolarHBondContact O-ND2 3.09Å
98K80Confident73.6Confident165 Ų165101 Ų10172%0.71754%0.54SS*.Hα-helixtrans-67.4-38.2171.7-166.3176-177.9-178.80112.3K94 A95 L96 S102K94-K98 WeakPolarHBondContact O-CB 3.4Å; K94-K98 PolarHBondContact O-N 3.23Å; A95-K98 PolarHBondContact O-N 2.99Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.35Å; K98-S102 WeakPolarHBondContact O-CB 3.5Å; K98-S102 PolarHBondContact O-N 3.48Å; K98-S102 PolarHBondContact O-OG 3.29Å
99A69.8Low72.3Confident39 Ų39100 Ų10032%0.32254%0.541SS..Hα-helixtrans-66.7-43.6176.200000111.8A95 L96 S102 M103A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 3.31Å; L96-A99 CarbonylContact O-C 3.41Å; L96-A99 WeakPolarHBondContact O-CB 3.31Å; L96-A99 PolarHBondContact O-N 3.32Å; L96-A99 VanDerWaalsContact O-N 3.13Å; A99-S102 WeakPolarHBondContact CA-OG 3.48Å; A99-S102 CarbonylContact O-C 3.57Å; A99-S102 PolarHBondContact O-N 3.43Å; A99-S102 VanDerWaalsContact O-N 3.12Å; A99-S102 PolarHBondContact O-OG 3.42Å; A99-M103 WeakPolarHBondContact O-CB 3.5Å; A99-M103 WeakPolarHBondContact O-CG 3.47Å; A99-M103 PolarHBondContact O-N 3.32Å
100L67.1Low71.6Confident85 Ų8596.9 Ų96.945%0.44553%0.534SS..Hα-helixtrans-63.2-43.6176.1-75.6167.7000111.7L96 S102 M103 V108L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 3.13Å; L100-S102 PolarHBondContact O-N 2.9Å; L100-M103 PolarHBondContact O-N 3.48Å; L100-V108 HydrophobicContact CD2-CG1 4.29Å; L100-V108 HydrophobicContact CD2-CG2 4.1Å
101N70.6Confident70.7Confident136 Ų13698.7 Ų98.773%0.72754%0.539SS*.Hα-helixtrans-66.1-19.8173.9-78.6-57.1000113.5D97D97-N101 WeakPolarHBondContact O-CB 3.32Å; D97-N101 PolarHBondContact O-N 3.31Å; D97-N101 PolarHBondContact O-ND2 3.09Å
102S65.1Low69.9Low95 Ų9598.8 Ų98.866%0.66454%0.541SS*.THydrogen-bonded Turntrans-100.7-1.217671.20000114K98 A99 L100K98-S102 WeakPolarHBondContact O-CB 3.5Å; K98-S102 PolarHBondContact O-N 3.48Å; K98-S102 PolarHBondContact O-OG 3.29Å; A99-S102 WeakPolarHBondContact CA-OG 3.48Å; A99-S102 CarbonylContact O-C 3.57Å; A99-S102 PolarHBondContact O-N 3.43Å; A99-S102 VanDerWaalsContact O-N 3.12Å; A99-S102 PolarHBondContact O-OG 3.42Å; L100-S102 PolarHBondContact O-N 2.9Å
103M53.5Low69.4Low65 Ų6599.5 Ų99.532%0.3254%0.542SS..  trans-104.2116.5-176.1-95.1-168.917500112.4A99 L100 K107 V108 V111A99-M103 WeakPolarHBondContact O-CB 3.5Å; A99-M103 WeakPolarHBondContact O-CG 3.47Å; A99-M103 PolarHBondContact O-N 3.32Å; L100-M103 PolarHBondContact O-N 3.48Å; M103-K107 HydrophobicContact CB-CB 4.46Å; M103-K107 HydrophobicContact CE-CB 3.6Å; M103-K107 HydrophobicContact CE-CD 3.98Å; M103-K107 HydrophobicContact CE-CG 4.33Å; M103-K107 HydrophobicContact CG-CB 3.82Å; M103-K107 HydrophobicContact CG-CD 4.24Å; M103-K107 HydrophobicContact SD-CB 3.44Å; M103-K107 WeakPolarHBondContact SD-CB 3.43Å; M103-V108 HydrophobicContact CB-CG2 4.03Å; M103-V111 HydrophobicContact CE-CG2 4.02Å; M103-V111 HydrophobicContact SD-CG2 4.22Å
104D59.3Low68.9Low116 Ų116102.4 Ų102.462%0.6255%0.548SS*.  trans-44.7134.4153.3-161.9-14.2000111.4Q106 K107D104-Q106 PolarHBondContact O-N 2.93Å; D104-K107 PolarHBondContact O-N 3.27Å
105L58.6Low68.2Low153 Ų153100.8 Ų100.880%0.80154%0.541SS*.Hα-helixtrans-51.1-26.8-170.5-84.7147.9000114.1V108L105-V108 PolarHBondContact O-N 2.96Å
106Q59.7Low67.9Low160 Ų160104.1 Ų104.175%0.74855%0.546SS*.Hα-helixtrans-68.1-32.1177.2-73.4-171.3-53.900114.3D104D104-Q106 PolarHBondContact O-N 2.93Å
107K60.1Low67.9Low130 Ų130102.5 Ų102.557%0.56554%0.542SS*.Hα-helixtrans-80-24.4179.3-71.7179.9178.9174.10112.4M103 D104 A110 V111M103-K107 HydrophobicContact CB-CB 4.46Å; M103-K107 HydrophobicContact CE-CB 3.6Å; M103-K107 HydrophobicContact CE-CD 3.98Å; M103-K107 HydrophobicContact CE-CG 4.33Å; M103-K107 HydrophobicContact CG-CB 3.82Å; M103-K107 HydrophobicContact CG-CD 4.24Å; M103-K107 HydrophobicContact SD-CB 3.44Å; M103-K107 WeakPolarHBondContact SD-CB 3.43Å; D104-K107 PolarHBondContact O-N 3.27Å; K107-A110 PolarHBondContact O-N 3.32Å; K107-V111 VanDerWaalsContact O-CG2 3.32Å; K107-V111 WeakPolarHBondContact O-CG2 3.49Å; K107-V111 PolarHBondContact O-N 3.16Å
108V59.1Low67.1Low42 Ų42103.9 Ų103.926%0.25555%0.545SS..Hα-helixtrans-66.6-39.2175-178.70000111.1L100 M103 L105 V111 M112L100-V108 HydrophobicContact CD2-CG1 4.29Å; L100-V108 HydrophobicContact CD2-CG2 4.1Å; M103-V108 HydrophobicContact CB-CG2 4.03Å; L105-V108 PolarHBondContact O-N 2.96Å; V108-V111 PolarHBondContact O-N 3.12Å; V108-M112 PolarHBondContact O-N 3.32Å
109S62.2Low66.7Low73 Ų7398.8 Ų98.851%0.5153%0.527SS..Hα-helixtrans-59.9-47.1172.6-1690000111.7V111 M112 D113S109-V111 VanDerWaalsContact C-N 3.28Å; S109-V111 PolarHBondContact O-N 2.76Å; S109-M112 PolarHBondContact O-N 3.38Å; S109-D113 PolarHBondContact O-N 2.96Å
110A70Confident67Low58 Ų58103.3 Ų103.348%0.47954%0.542SS..Hα-helixtrans-66.6-28.5179.100000113.2K107 K114K107-A110 PolarHBondContact O-N 3.32Å; A110-K114 WeakPolarHBondContact O-CB 3Å; A110-K114 PolarHBondContact O-N 2.9Å
111V67.4Low67.3Low67 Ų67103.3 Ų103.341%0.40654%0.542SS..Hα-helixtrans-76.4-34.5174.2171.40000111.4M103 K107 V108 S109 K114 F115M103-V111 HydrophobicContact CE-CG2 4.02Å; M103-V111 HydrophobicContact SD-CG2 4.22Å; K107-V111 VanDerWaalsContact O-CG2 3.32Å; K107-V111 WeakPolarHBondContact O-CG2 3.49Å; K107-V111 PolarHBondContact O-N 3.16Å; V108-V111 PolarHBondContact O-N 3.12Å; S109-V111 VanDerWaalsContact C-N 3.28Å; S109-V111 PolarHBondContact O-N 2.76Å; V111-K114 PolarHBondContact O-N 2.87Å; V111-F115 VanDerWaalsContact O-CB 3.32Å; V111-F115 WeakPolarHBondContact O-CB 3.42Å; V111-F115 PolarHBondContact O-N 2.75Å
112M70.9Confident67.3Low117 Ų117102 Ų10258%0.57654%0.535SS*.Hα-helixtrans-67-43.2173.9-81.3-62.8175.300112.3V108 S109 K114 F115 E116V108-M112 PolarHBondContact O-N 3.32Å; S109-M112 PolarHBondContact O-N 3.38Å; M112-K114 PolarHBondContact O-N 2.97Å; M112-F115 PolarHBondContact O-N 2.88Å; M112-F115 VanDerWaalsContact O-N 3.16Å; M112-E116 PolarHBondContact O-N 2.91Å
113D75.9Confident67.4Low101 Ų101102.7 Ų102.754%0.5453%0.531SS..Hα-helixtrans-60.9-37173.7-65-14.4000111.3S109 S117S109-D113 PolarHBondContact O-N 2.96Å; D113-S117 WeakPolarHBondContact O-CB 3.16Å; D113-S117 PolarHBondContact O-N 2.78Å
114K73.1Confident68.4Low141 Ų141103.6 Ų103.661%0.61354%0.54SS*.Hα-helixtrans-75.2-30.3177.8-142.6173.4-168.9178.30112.9A110 V111 M112 Q118A110-K114 WeakPolarHBondContact O-CB 3Å; A110-K114 PolarHBondContact O-N 2.9Å; V111-K114 PolarHBondContact O-N 2.87Å; M112-K114 PolarHBondContact O-N 2.97Å; K114-Q118 WeakPolarHBondContact O-CB 3.13Å; K114-Q118 WeakPolarHBondContact O-CG 3.3Å; K114-Q118 PolarHBondContact O-N 2.7Å
115F71.8Confident68.5Low128 Ų128104.3 Ų104.356%0.56154%0.539SS*.Hα-helixtrans-71.1-43.8173.7-179.7-98000110.7V111 M112 S117 Q118 V119V111-F115 VanDerWaalsContact O-CB 3.32Å; V111-F115 WeakPolarHBondContact O-CB 3.42Å; V111-F115 PolarHBondContact O-N 2.75Å; M112-F115 PolarHBondContact O-N 2.88Å; M112-F115 VanDerWaalsContact O-N 3.16Å; F115-S117 VanDerWaalsContact C-N 3.34Å; F115-S117 PolarHBondContact O-N 2.9Å; F115-Q118 PolarHBondContact O-N 3.5Å; F115-Q118 VanDerWaalsContact O-N 3.12Å; F115-V119 HydrophobicContact CD1-CG2 4.02Å; F115-V119 HydrophobicContact CD2-CG2 4.36Å; F115-V119 HydrophobicContact CE1-CG2 3.63Å; F115-V119 HydrophobicContact CE2-CG2 4Å; F115-V119 HydrophobicContact CG-CG2 4.37Å; F115-V119 HydrophobicContact CZ-CG2 3.62Å; F115-V119 WeakPolarHBondContact O-CB 3.33Å; F115-V119 WeakPolarHBondContact O-CG2 3.43Å; F115-V119 PolarHBondContact O-N 3.46Å
116E74.8Confident68.8Low132 Ų132100.4 Ų100.462%0.61752%0.522SS*.Hα-helixtrans-59.6-46.3174.2-166.8170-159.200110.6M112 Q118 V119 Q120M112-E116 PolarHBondContact O-N 2.91Å; E116-Q118 PolarHBondContact O-N 2.87Å; E116-V119 PolarHBondContact O-N 3.26Å; E116-Q120 VanDerWaalsContact O-CB 3.29Å; E116-Q120 WeakPolarHBondContact O-CB 3.34Å; E116-Q120 PolarHBondContact O-N 3.36Å
117S77Confident69.1Low52 Ų5295.6 Ų95.636%0.36451%0.506SS..Hα-helixtrans-57.4-41.6171.2162.90000113.8D113 F115 N121D113-S117 WeakPolarHBondContact O-CB 3.16Å; D113-S117 PolarHBondContact O-N 2.78Å; F115-S117 VanDerWaalsContact C-N 3.34Å; F115-S117 PolarHBondContact O-N 2.9Å; S117-N121 WeakPolarHBondContact O-CB 3.18Å; S117-N121 PolarHBondContact O-N 2.85Å; S117-N121 PolarHBondContact O-ND2 2.91Å
118Q63.7Low69.4Low127 Ų12793 Ų9359%0.59350%0.501SS*.Hα-helixtrans-75.4-35.9-179.5-80.5-172.9-2.800113K114 F115 E116 N121 L122K114-Q118 WeakPolarHBondContact O-CB 3.13Å; K114-Q118 WeakPolarHBondContact O-CG 3.3Å; K114-Q118 PolarHBondContact O-N 2.7Å; F115-Q118 PolarHBondContact O-N 3.5Å; F115-Q118 VanDerWaalsContact O-N 3.12Å; E116-Q118 PolarHBondContact O-N 2.87Å; Q118-N121 PolarHBondContact O-N 3.33Å; Q118-L122 VanDerWaalsContact O-CB 3.31Å; Q118-L122 WeakPolarHBondContact O-CB 3.28Å; Q118-L122 PolarHBondContact O-N 3.32Å
119V71.4Confident69.6Low57 Ų5797 Ų9735%0.34552%0.518SS..Hα-helixtrans-67.5-42174.3171.10000110.1F115 E116 N121 L122 D123F115-V119 HydrophobicContact CD1-CG2 4.02Å; F115-V119 HydrophobicContact CD2-CG2 4.36Å; F115-V119 HydrophobicContact CE1-CG2 3.63Å; F115-V119 HydrophobicContact CE2-CG2 4Å; F115-V119 HydrophobicContact CG-CG2 4.37Å; F115-V119 HydrophobicContact CZ-CG2 3.62Å; F115-V119 WeakPolarHBondContact O-CB 3.33Å; F115-V119 WeakPolarHBondContact O-CG2 3.43Å; F115-V119 PolarHBondContact O-N 3.46Å; E116-V119 PolarHBondContact O-N 3.26Å; V119-N121 VanDerWaalsContact C-N 3.35Å; V119-N121 PolarHBondContact O-N 2.9Å; V119-L122 WeakPolarHBondContact O-CB 3.36Å; V119-L122 PolarHBondContact O-N 2.92Å; V119-L122 VanDerWaalsContact O-N 3.15Å; V119-D123 PolarHBondContact O-N 3.47Å
120Q75.9Confident69.9Low135 Ų135100 Ų10063%0.63152%0.524SS*.Hα-helixtrans-64.5-40.1175.6-147.1172.619.800111.5E116 D123 V124E116-Q120 VanDerWaalsContact O-CB 3.29Å; E116-Q120 WeakPolarHBondContact O-CB 3.34Å; E116-Q120 PolarHBondContact O-N 3.36Å; Q120-D123 PolarHBondContact O-N 3.08Å; Q120-V124 VanDerWaalsContact O-CG2 3.28Å; Q120-V124 WeakPolarHBondContact O-CG2 3.2Å; Q120-V124 PolarHBondContact O-N 3.48Å
121N72.8Confident69.8Low85 Ų85102 Ų10246%0.45553%0.527SS..Hα-helixtrans-68.7-32172.5-80.6-46.8000113S117 Q118 V119 H125S117-N121 WeakPolarHBondContact O-CB 3.18Å; S117-N121 PolarHBondContact O-N 2.85Å; S117-N121 PolarHBondContact O-ND2 2.91Å; Q118-N121 PolarHBondContact O-N 3.33Å; V119-N121 VanDerWaalsContact C-N 3.35Å; V119-N121 PolarHBondContact O-N 2.9Å; N121-H125 VanDerWaalsContact O-CB 3.27Å; N121-H125 WeakPolarHBondContact O-CB 3.48Å; N121-H125 PolarHBondContact O-CD2 3.45Å; N121-H125 VanDerWaalsContact O-CD2 3.27Å; N121-H125 PolarHBondContact O-N 2.9Å
122L71.9Confident69.6Low109 Ų109102.2 Ų102.257%0.57153%0.531SS*.Hα-helixtrans-68-41.5174.7-166.186000110.7Q118 V119 H125 T126Q118-L122 VanDerWaalsContact O-CB 3.31Å; Q118-L122 WeakPolarHBondContact O-CB 3.28Å; Q118-L122 PolarHBondContact O-N 3.32Å; V119-L122 WeakPolarHBondContact O-CB 3.36Å; V119-L122 PolarHBondContact O-N 2.92Å; V119-L122 VanDerWaalsContact O-N 3.15Å; L122-H125 PolarHBondContact O-N 2.71Å; L122-T126 VanDerWaalsContact O-CB 3.25Å; L122-T126 WeakPolarHBondContact O-CB 3.29Å; L122-T126 PolarHBondContact O-N 2.91Å; L122-T126 PolarHBondContact O-OG1 3.4Å
123D66.4Low68.9Low109 Ų109101.4 Ų101.458%0.58353%0.527SS*.Hα-helixtrans-64.3-41.9174.1-87.9-11.8000111.3V119 Q120 T126 S127V119-D123 PolarHBondContact O-N 3.47Å; Q120-D123 PolarHBondContact O-N 3.08Å; D123-T126 PolarHBondContact O-N 3.22Å; D123-S127 VanDerWaalsContact O-CB 3.28Å; D123-S127 WeakPolarHBondContact O-CB 3.45Å; D123-S127 PolarHBondContact O-N 3.05Å
124V74.6Confident68.1Low83 Ų83100 Ų10050%0.50353%0.525SS..Hα-helixtrans-66.2-42.4174.8173.80000111.3Q120 S127 V128Q120-V124 VanDerWaalsContact O-CG2 3.28Å; Q120-V124 WeakPolarHBondContact O-CG2 3.2Å; Q120-V124 PolarHBondContact O-N 3.48Å; V124-S127 PolarHBondContact O-N 3.27Å; V124-V128 HydrophobicContact CG1-CG2 4.36Å; V124-V128 WeakPolarHBondContact O-CB 3.05Å; V124-V128 WeakPolarHBondContact O-CG2 3.23Å; V124-V128 PolarHBondContact O-N 3.5Å
125H61Low67.5Low132 Ų13297.2 Ų97.261%0.61152%0.524SS*.Hα-helixtrans-68.2-35176.1-90.6-66.8000112.7N121 L122 M129N121-H125 VanDerWaalsContact O-CB 3.27Å; N121-H125 WeakPolarHBondContact O-CB 3.48Å; N121-H125 PolarHBondContact O-CD2 3.45Å; N121-H125 VanDerWaalsContact O-CD2 3.27Å; N121-H125 PolarHBondContact O-N 2.9Å; L122-H125 PolarHBondContact O-N 2.71Å; H125-M129 WeakPolarHBondContact O-CA 3.37Å; H125-M129 WeakPolarHBondContact O-CB 3.5Å; H125-M129 PolarHBondContact O-N 3.38Å
126T65.1Low66.8Low70 Ų7093.8 Ų93.843%0.42952%0.519SS..Hα-helixtrans-69.7-44175.9-55.90000109.7L122 D123 M129 E130L122-T126 VanDerWaalsContact O-CB 3.25Å; L122-T126 WeakPolarHBondContact O-CB 3.29Å; L122-T126 PolarHBondContact O-N 2.91Å; L122-T126 PolarHBondContact O-OG1 3.4Å; D123-T126 PolarHBondContact O-N 3.22Å; T126-M129 CarbonylContact O-C 3.6Å; T126-M129 PolarHBondContact O-N 2.92Å; T126-E130 WeakPolarHBondContact O-CB 3.32Å; T126-E130 PolarHBondContact O-N 3.19Å
127S65.1Low65.8Low59 Ų5992.1 Ų92.141%0.41351%0.512SS..Hα-helixtrans-60.7-45.5172.9167.90000112.1D123 V124 E130 D131D123-S127 VanDerWaalsContact O-CB 3.28Å; D123-S127 WeakPolarHBondContact O-CB 3.45Å; D123-S127 PolarHBondContact O-N 3.05Å; V124-S127 PolarHBondContact O-N 3.27Å; S127-E130 PolarHBondContact O-N 3.17Å; S127-D131 WeakPolarHBondContact O-CB 3.49Å; S127-D131 PolarHBondContact O-N 3.28Å
128V66.8Low64.8Low76 Ų7693.7 Ų93.746%0.46152%0.52SS..Hα-helixtrans-69.5-35.2178.1172.30000111.6V124 S132V124-V128 HydrophobicContact CG1-CG2 4.36Å; V124-V128 WeakPolarHBondContact O-CB 3.05Å; V124-V128 WeakPolarHBondContact O-CG2 3.23Å; V124-V128 PolarHBondContact O-N 3.5Å; V128-S132 WeakPolarHBondContact O-CB 3.35Å; V128-S132 PolarHBondContact O-N 2.97Å; V128-S132 PolarHBondContact O-OG 3.01Å
129M64.7Low64.4Low126 Ų12695 Ų9562%0.62153%0.53SS*.Hα-helixtrans-70.2-39174.3-177172.8177.400111.1H125 T126 S132 M133H125-M129 WeakPolarHBondContact O-CA 3.37Å; H125-M129 WeakPolarHBondContact O-CB 3.5Å; H125-M129 PolarHBondContact O-N 3.38Å; T126-M129 CarbonylContact O-C 3.6Å; T126-M129 PolarHBondContact O-N 2.92Å; M129-S132 PolarHBondContact O-N 3.1Å; M129-M133 HydrophobicContact CE-SD 4.47Å; M129-M133 WeakPolarHBondContact O-CA 3.34Å; M129-M133 WeakPolarHBondContact O-CB 3.45Å; M129-M133 PolarHBondContact O-N 3.35Å
130E67.9Low63.4Low135 Ų13597.5 Ų97.563%0.63155%0.545SS*.Hα-helixtrans-68.4-39.7176.1-165.4164.7-153.500110.6T126 S127 S134T126-E130 WeakPolarHBondContact O-CB 3.32Å; T126-E130 PolarHBondContact O-N 3.19Å; S127-E130 PolarHBondContact O-N 3.17Å; E130-S134 WeakPolarHBondContact O-CA 3.38Å; E130-S134 WeakPolarHBondContact O-CB 3.49Å; E130-S134 PolarHBondContact O-N 3.48Å
131D68.3Low62.3Low100 Ų10094.1 Ų94.154%0.53553%0.534SS..Hα-helixtrans-67.8-41.1172.7-77.1-19.7000112.5S127 S135S127-D131 WeakPolarHBondContact O-CB 3.49Å; S127-D131 PolarHBondContact O-N 3.28Å; D131-S135 WeakPolarHBondContact O-CB 3.46Å; D131-S135 PolarHBondContact O-N 2.96Å; D131-S135 PolarHBondContact O-OG 3.34Å
132S61.8Low61.7Low72 Ų7292.3 Ų92.350%0.50353%0.527SS..Hα-helixtrans-72-37.5177.8-60.40000111.9V128 M129 A136V128-S132 WeakPolarHBondContact O-CB 3.35Å; V128-S132 PolarHBondContact O-N 2.97Å; V128-S132 PolarHBondContact O-OG 3.01Å; M129-S132 PolarHBondContact O-N 3.1Å; S132-A136 WeakPolarHBondContact O-CB 3.34Å; S132-A136 PolarHBondContact O-N 3.24Å
133M56.7Low61.1Low101 Ų10194 Ų9450%0.49853%0.532SS..Hα-helixtrans-77-35.1177.8-172.1163.415700110.9M129 A136 M137M129-M133 HydrophobicContact CE-SD 4.47Å; M129-M133 WeakPolarHBondContact O-CA 3.34Å; M129-M133 WeakPolarHBondContact O-CB 3.45Å; M129-M133 PolarHBondContact O-N 3.35Å; M133-A136 PolarHBondContact O-N 2.96Å; M133-M137 HydrophobicContact CG-CG 4.18Å; M133-M137 WeakPolarHBondContact O-CB 3.39Å; M133-M137 WeakPolarHBondContact O-CG 3.42Å; M133-M137 PolarHBondContact O-N 2.85Å
134S59.4Low61Low70 Ų7095.9 Ų95.949%0.4954%0.537SS..Hα-helixtrans-58.5-51.8168.1-179.80000109.7E130 A136 M137 T138E130-S134 WeakPolarHBondContact O-CA 3.38Å; E130-S134 WeakPolarHBondContact O-CB 3.49Å; E130-S134 PolarHBondContact O-N 3.48Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.48Å; S134-M137 PolarHBondContact O-N 2.83Å; S134-M137 VanDerWaalsContact O-N 3.12Å; S134-T138 PolarHBondContact O-N 3.23Å; S134-T138 PolarHBondContact O-OG1 3.49Å
135S61Low60.2Low83 Ų8397.8 Ų97.858%0.5854%0.541SS*.Hα-helixtrans-60.5-36.9177.4-59.70000113.5D131D131-S135 WeakPolarHBondContact O-CB 3.46Å; D131-S135 PolarHBondContact O-N 2.96Å; D131-S135 PolarHBondContact O-OG 3.34Å
136A55.4Low60.5Low56 Ų5694.3 Ų94.346%0.46353%0.529SS..Hα-helixtrans-76-33.4175.300000112.9S132 M133 S134 L139 T140S132-A136 WeakPolarHBondContact O-CB 3.34Å; S132-A136 PolarHBondContact O-N 3.24Å; M133-A136 PolarHBondContact O-N 2.96Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.48Å; A136-L139 PolarHBondContact O-N 3.19Å; A136-T140 PolarHBondContact O-N 3.29Å; A136-T140 PolarHBondContact O-OG1 3.41Å
137M54.8Low60.7Low98 Ų9895.1 Ų95.148%0.48353%0.53SS..Hα-helixtrans-70.7-33.7175.6-74.6-99.1125.600111.5M133 S134 L139 T140 T141M133-M137 HydrophobicContact CG-CG 4.18Å; M133-M137 WeakPolarHBondContact O-CB 3.39Å; M133-M137 WeakPolarHBondContact O-CG 3.42Å; M133-M137 PolarHBondContact O-N 2.85Å; S134-M137 PolarHBondContact O-N 2.83Å; S134-M137 VanDerWaalsContact O-N 3.12Å; M137-L139 PolarHBondContact O-N 3.42Å; M137-T140 PolarHBondContact O-N 3.44Å; M137-T141 PolarHBondContact O-N 3.15Å; M137-T141 PolarHBondContact O-OG1 3.38Å
138T55Low61.1Low84 Ų8497.4 Ų97.452%0.51554%0.538SS..Hα-helixtrans-60.1-32.2174.6-33.20000112.1S134S134-T138 PolarHBondContact O-N 3.23Å; S134-T138 PolarHBondContact O-OG1 3.49Å
139L56Low61.3Low155 Ų15598.3 Ų98.381%0.81254%0.54SS*.Hα-helixtrans-81.4-26.8179.2-161.872.1000113.1A136 M137A136-L139 PolarHBondContact O-N 3.19Å; M137-L139 PolarHBondContact O-N 3.42Å
140T50.7Low61.8Low109 Ų10997.3 Ų97.367%0.66954%0.536SS*.Hα-helixtrans-101.8-17.6-174.2-28.50000112.9A136 M137A136-T140 PolarHBondContact O-N 3.29Å; A136-T140 PolarHBondContact O-OG1 3.41Å; M137-T140 PolarHBondContact O-N 3.44Å
141T52.6Low62Low65 Ų6596.6 Ų96.640%0.39953%0.532SS..SBendtrans-139.483.8178.4-8.20000107.4M137 Q143 V146M137-T141 PolarHBondContact O-N 3.15Å; M137-T141 PolarHBondContact O-OG1 3.38Å; T141-Q143 PolarHBondContact O-N 3.35Å; T141-V146 HydrophobicContact CG2-CG2 4.04Å
142P61Low62.1Low46 Ų4697.1 Ų97.130%0.29953%0.532SS..  trans-58135.2176.6-21.933.2000109.7E144 Q145 V146P142-E144 PolarHBondContact O-N 3.26Å; P142-Q145 HydrophobicContact CB-CG 4.26Å; P142-Q145 HydrophobicContact CG-CG 4.31Å; P142-Q145 PolarHBondContact O-N 2.91Å; P142-V146 PolarHBondContact O-N 2.85Å
143Q58.1Low62.4Low144 Ų14498.3 Ų98.367%0.67353%0.531SS*.Hα-helixtrans-57.7-34.5-177.8-162.7163.4-15.300111.8T141 Q145 V146 D147T141-Q143 PolarHBondContact O-N 3.35Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.4Å; Q143-V146 PolarHBondContact O-N 3.36Å; Q143-V146 VanDerWaalsContact O-N 3.15Å; Q143-D147 PolarHBondContact O-N 3.27Å
144E64.1Low62.7Low150 Ų15094.9 Ų94.970%0.70152%0.519SS*.Hα-helixtrans-54.3-43.3170.2-109.7-170.5165.500113.4P142 V146 D147 D148P142-E144 PolarHBondContact O-N 3.26Å; E144-V146 VanDerWaalsContact C-N 3.28Å; E144-V146 PolarHBondContact O-N 2.86Å; E144-D147 PolarHBondContact O-N 3.19Å; E144-D148 WeakPolarHBondContact O-CB 3.45Å; E144-D148 PolarHBondContact O-N 3.29Å
145Q59.6Low63.2Low123 Ų12398 Ų9858%0.57553%0.526SS*.Hα-helixtrans-72.8-25.4-178.3-67.6179.99.500112.3P142 Q143 L149P142-Q145 HydrophobicContact CB-CG 4.26Å; P142-Q145 HydrophobicContact CG-CG 4.31Å; P142-Q145 PolarHBondContact O-N 2.91Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.4Å; Q145-L149 VanDerWaalsContact O-CB 3.3Å; Q145-L149 WeakPolarHBondContact O-CB 3.48Å; Q145-L149 PolarHBondContact O-N 3.2Å
146V67.2Low63Low59 Ų59101.7 Ų101.736%0.35853%0.534SS..Hα-helixtrans-77.9-42.1174.3-179.60000109.9T141 P142 Q143 E144 L149 I150T141-V146 HydrophobicContact CG2-CG2 4.04Å; P142-V146 PolarHBondContact O-N 2.85Å; Q143-V146 PolarHBondContact O-N 3.36Å; Q143-V146 VanDerWaalsContact O-N 3.15Å; E144-V146 VanDerWaalsContact C-N 3.28Å; E144-V146 PolarHBondContact O-N 2.86Å; V146-L149 PolarHBondContact O-N 3.01Å; V146-I150 HydrophobicContact CG1-CD1 4.05Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3.22Å
147D68.4Low63Low86 Ų86101.6 Ų101.646%0.4654%0.538SS..Hα-helixtrans-66.3-41.9177.5-68.8-23.5000111.5Q143 E144 L149 I150 H151Q143-D147 PolarHBondContact O-N 3.27Å; E144-D147 PolarHBondContact O-N 3.19Å; D147-L149 VanDerWaalsContact C-N 3.35Å; D147-L149 PolarHBondContact O-N 2.91Å; D147-I150 PolarHBondContact O-N 3.46Å; D147-H151 WeakPolarHBondContact O-CB 3.33Å; D147-H151 PolarHBondContact O-N 2.86Å
148D74.4Confident62.8Low108 Ų10899.8 Ų99.858%0.57855%0.545SS*.Hα-helixtrans-61.5-41.7172.9-79.6-14.7000111.8E144 H151 Q152E144-D148 WeakPolarHBondContact O-CB 3.45Å; E144-D148 PolarHBondContact O-N 3.29Å; D148-H151 PolarHBondContact O-N 3.05Å; D148-Q152 VanDerWaalsContact O-CB 3.28Å; D148-Q152 WeakPolarHBondContact O-CB 3.44Å; D148-Q152 PolarHBondContact O-N 3.11Å
149L71Confident62.8Low95 Ų95101.9 Ų101.950%0.49755%0.552SS.*Hα-helixtrans-67.5-37.7177.3-176.365.8000111.5Q145 V146 D147 I153Q145-L149 VanDerWaalsContact O-CB 3.3Å; Q145-L149 WeakPolarHBondContact O-CB 3.48Å; Q145-L149 PolarHBondContact O-N 3.2Å; V146-L149 PolarHBondContact O-N 3.01Å; D147-L149 VanDerWaalsContact C-N 3.35Å; D147-L149 PolarHBondContact O-N 2.91Å; L149-I153 HydrophobicContact CD1-CD1 3.95Å; L149-I153 HydrophobicContact CD1-CG1 4.29Å; L149-I153 HydrophobicContact CD2-CD1 4.47Å; L149-I153 HydrophobicContact CG-CD1 3.81Å; L149-I153 HydrophobicContact CG-CG1 4.47Å; L149-I153 VanDerWaalsContact O-CB 3.31Å; L149-I153 WeakPolarHBondContact O-CB 3.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.36Å
150I73.8Confident62.6Low104 Ų104101.1 Ų101.153%0.53354%0.544SS..Hα-helixtrans-65.8-41.6174.1-71.7169.1000110.4V146 D147 I153 A154V146-I150 HydrophobicContact CG1-CD1 4.05Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3.22Å; D147-I150 PolarHBondContact O-N 3.46Å; I150-I153 PolarHBondContact O-N 3.3Å; I150-A154 WeakPolarHBondContact O-CB 3.39Å; I150-A154 PolarHBondContact O-N 3.35Å
151H72.6Confident62.5Low121 Ų121100.9 Ų100.956%0.5654%0.543SS*.Hα-helixtrans-64.2-44.7176.7-141.8-75.3000111.3D147 D148 I153 A154 E155D147-H151 WeakPolarHBondContact O-CB 3.33Å; D147-H151 PolarHBondContact O-N 2.86Å; D148-H151 PolarHBondContact O-N 3.05Å; H151-I153 PolarHBondContact O-N 2.95Å; H151-A154 PolarHBondContact O-N 3.35Å; H151-E155 IonicContact CE1-OE1 3.36Å; H151-E155 PolarHBondContact CE1-OE1 3.13Å; H151-E155 IonicContact ND1-OE1 2.86Å; H151-E155 PolarHBondContact ND1-OE1 3.32Å; H151-E155 WeakPolarHBondContact O-CB 3.4Å; H151-E155 WeakPolarHBondContact O-CG 3.48Å; H151-E155 PolarHBondContact O-N 3.47Å
152Q69.7Low62.3Low111 Ų111104.9 Ų104.952%0.51956%0.559SS.*Hα-helixtrans-66-39.1178.6-168.6174.6800112.1D148 E156D148-Q152 VanDerWaalsContact O-CB 3.28Å; D148-Q152 WeakPolarHBondContact O-CB 3.44Å; D148-Q152 PolarHBondContact O-N 3.11Å; Q152-E156 WeakPolarHBondContact O-CB 3.33Å; Q152-E156 WeakPolarHBondContact O-CG 3.45Å; Q152-E156 PolarHBondContact O-N 3.09Å
153I68.7Low61.7Low97 Ų97106.2 Ų106.250%0.49756%0.563SS.*Hα-helixtrans-72.9-33.7175.5-68.8171.3000111.5L149 I150 H151 G157L149-I153 HydrophobicContact CD1-CD1 3.95Å; L149-I153 HydrophobicContact CD1-CG1 4.29Å; L149-I153 HydrophobicContact CD2-CD1 4.47Å; L149-I153 HydrophobicContact CG-CD1 3.81Å; L149-I153 HydrophobicContact CG-CG1 4.47Å; L149-I153 VanDerWaalsContact O-CB 3.31Å; L149-I153 WeakPolarHBondContact O-CB 3.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.36Å; I150-I153 PolarHBondContact O-N 3.3Å; H151-I153 PolarHBondContact O-N 2.95Å; I153-G157 WeakPolarHBondContact O-CA 3.21Å; I153-G157 PolarHBondContact O-N 3.34Å
154A63.7Low61.1Low28 Ų28107.2 Ų107.223%0.23157%0.568CS.*Hα-helixtrans-66.8-41.4174.400000111.6I150 H151 G158 L159I150-A154 WeakPolarHBondContact O-CB 3.39Å; I150-A154 PolarHBondContact O-N 3.35Å; H151-A154 PolarHBondContact O-N 3.35Å; A154-G158 PolarHBondContact O-N 3.47Å; A154-L159 PolarHBondContact O-N 3.3Å
155E68.5Low60.4Low136 Ų136106.2 Ų106.264%0.63657%0.567SS**Hα-helixtrans-66.3-45.5173.1-74.4174.7-161.500112.1H151 G157 G158H151-E155 IonicContact CE1-OE1 3.36Å; H151-E155 PolarHBondContact CE1-OE1 3.13Å; H151-E155 IonicContact ND1-OE1 2.86Å; H151-E155 PolarHBondContact ND1-OE1 3.32Å; H151-E155 WeakPolarHBondContact O-CB 3.4Å; H151-E155 WeakPolarHBondContact O-CG 3.48Å; H151-E155 PolarHBondContact O-N 3.47Å; E155-G157 VanDerWaalsContact C-N 3.33Å; E155-G157 PolarHBondContact O-N 3.26Å; E155-G158 PolarHBondContact O-N 3.38Å
156E58.3Low59.8Low161 Ų161106 Ų10675%0.75257%0.57SS**Hα-helixtrans-68.9-30.1177.2-80.6-170.116000113.2Q152 G158Q152-E156 WeakPolarHBondContact O-CB 3.33Å; Q152-E156 WeakPolarHBondContact O-CG 3.45Å; Q152-E156 PolarHBondContact O-N 3.09Å; E156-G158 VanDerWaalsContact C-N 3.27Å; E156-G158 PolarHBondContact O-N 3.07Å
157G55.4Low58.6Low53 Ų53110.3 Ų110.355%0.54659%0.586SS.*THydrogen-bonded Turntrans-78.2-6.7178.100000114.4I153 E155 L159I153-G157 WeakPolarHBondContact O-CA 3.21Å; I153-G157 PolarHBondContact O-N 3.34Å; E155-G157 VanDerWaalsContact C-N 3.33Å; E155-G157 PolarHBondContact O-N 3.26Å; G157-L159 PolarHBondContact O-N 2.95Å; G157-L159 VanDerWaalsContact O-N 3.17Å
158G50.6Low57.3Low61 Ų61112.5 Ų112.563%0.62960%0.596SS**THydrogen-bonded Turntrans59.921.7-17500000113.2A154 E155 E156 E160A154-G158 PolarHBondContact O-N 3.47Å; E155-G158 PolarHBondContact O-N 3.38Å; E156-G158 VanDerWaalsContact C-N 3.27Å; E156-G158 PolarHBondContact O-N 3.07Å; G158-E160 VanDerWaalsContact C-N 3.28Å; G158-E160 PolarHBondContact O-N 3.48Å
159L54.5Low55.4Low128 Ų128113 Ų11367%0.6761%0.606SS**  trans-79.188.7169.6-82.9153.7000106A154 G157 V161A154-L159 PolarHBondContact O-N 3.3Å; G157-L159 PolarHBondContact O-N 2.95Å; G157-L159 VanDerWaalsContact O-N 3.17Å; L159-V161 HydrophobicContact CB-CG2 4.47Å; L159-V161 PolarHBondContact O-N 3.11Å
160E51.1Low54.1Low138 Ų138114 Ų11465%0.64563%0.627SS**  trans-59.978.3163.6-73.9178.9149.800109.1G158 M162 D163G158-E160 VanDerWaalsContact C-N 3.28Å; G158-E160 PolarHBondContact O-N 3.48Å; E160-M162 PolarHBondContact O-N 3.17Å; E160-M162 VanDerWaalsContact O-N 3.13Å; E160-D163 HydrophobicContact CB-CB 3.96Å; E160-D163 PolarHBondContact O-N 3.19Å; E160-D163 VanDerWaalsContact O-N 3.1Å
161V50.1Low52.3Low105 Ų105112.6 Ų112.664%0.63664%0.639SS**Hα-helixtrans-61.7-14.5165.9-175.80000109.9L159L159-V161 HydrophobicContact CB-CG2 4.47Å; L159-V161 PolarHBondContact O-N 3.11Å
162M47.4Very low50.5Low149 Ų149111.1 Ų111.173%0.73465%0.648SS**Hα-helixtrans-75.8-27.9173.4-137.766.8-170.800114.1E160 N166E160-M162 PolarHBondContact O-N 3.17Å; E160-M162 VanDerWaalsContact O-N 3.13Å; M162-N166 PolarHBondContact O-ND2 3.27Å; M162-N166 VanDerWaalsContact O-ND2 3.15Å
163D48.7Very low49.3Very low73 Ų73112.9 Ų112.939%0.3967%0.666SS.*Hα-helixtrans-94.7-24.7-172.1-145.944.9000113.4E160 Q167E160-D163 HydrophobicContact CB-CB 3.96Å; E160-D163 PolarHBondContact O-N 3.19Å; E160-D163 VanDerWaalsContact O-N 3.1Å; D163-Q167 PolarHBondContact OD2-NE2 3.47Å
164Q46.1Very low48.1Very low165 Ų165112.7 Ų112.777%0.77167%0.674SS**Hα-helixtrans-81.1-17.1171.6-76.9-174-6.500114.2
165L48.7Very low46.9Very low130 Ų130116.8 Ų116.868%0.68169%0.691SS**Hα-helixtrans-82.1-23.4170.7-162.363.1000112.2
166N46.5Very low45.5Very low119 Ų119115 Ų11564%0.63671%0.708SS**Hα-helixtrans-86.8-11.7-179.9-81.8-26.2000115M162M162-N166 PolarHBondContact O-ND2 3.27Å; M162-N166 VanDerWaalsContact O-ND2 3.15Å
167Q43.2Very low44.6Very low149 Ų149109.5 Ų109.570%0.69670%0.695SS**THydrogen-bonded Turntrans-968.9-180-71-176.535.800114.5D163D163-Q167 PolarHBondContact OD2-NE2 3.47Å
168L39.6Very low43.9Very low131 Ų131112 Ų11269%0.68669%0.693SS**SBendtrans-84.2133.8165.9-85.3145.2000109.8
169P36.3Very low43.6Very low119 Ų119114.1 Ų114.177%0.77370%0.698SS**  trans-63.4139.9-16117.2-23.8000113.4G171P169-G171 PolarHBondContact O-N 3.21Å
170A41.8Very low43.2Very low115 Ų115111.6 Ų111.695%0.9569%0.691SS**SBendtrans-44.1103.8178.400000112.9
171G37.5Very low43.2Very low75 Ų75112 Ų11277%0.77369%0.687SS**  trans-167.225.8-176.600000115.8P169P169-G171 PolarHBondContact O-N 3.21Å
172A34.2Very low43.2Very low91 Ų91110.6 Ų110.675%0.75268%0.681SS**  trans-168.972.416200000110.5S174A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 3.33Å
173T45.1Very low43.5Very low148 Ų148109.8 Ų109.891%0.90868%0.676SS**  trans-64.189.5159.7470000109.2
174S42.2Very low43.7Very low93 Ų93111.9 Ų111.965%0.6568%0.683SS**  trans172.6104.5164.2152.90000105.9A172A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 3.33Å
175L38.7Very low44.3Very low114 Ų114109.9 Ų109.960%0.59767%0.672SS**  trans17145.9146.7-88.4161000111.2G177 E178L175-G177 PolarHBondContact O-N 3.46Å; L175-E178 HydrophobicContact CD2-CB 4.39Å; L175-E178 HydrophobicContact CD2-CG 3.63Å; L175-E178 WeakPolarHBondContact CD2-OE2 3.47Å
176G40.3Very low44.8Very low97 Ų97110.4 Ų110.4100%167%0.671SS**THydrogen-bonded Turntrans-75.344.2159.200000112.1
177G38.9Very low46Very low46 Ų46109.6 Ų109.647%0.47467%0.667SS.*THydrogen-bonded Turntrans-160.424.2-168.600000116.2L175L175-G177 PolarHBondContact O-N 3.46Å
178E39.8Very low47.2Very low106 Ų106107.8 Ų107.850%0.49566%0.658SS.*SBendtrans-105.9-15.8-178.5-101.6175.5156.600115.8L175 S180 R181L175-E178 HydrophobicContact CD2-CB 4.39Å; L175-E178 HydrophobicContact CD2-CG 3.63Å; L175-E178 WeakPolarHBondContact CD2-OE2 3.47Å; E178-S180 PolarHBondContact O-N 3.1Å; E178-R181 PolarHBondContact O-N 3.37Å
179S44.4Very low48.6Very low106 Ų106106.7 Ų106.774%0.74165%0.653SS**Hα-helixtrans-70.3-29.9175.6-66.60000113.5
180S47.5Very low50.4Low74 Ų74103.9 Ų103.952%0.51764%0.636SS.*Hα-helixtrans-75.9-25.4176.469.70000113E178 E184E178-S180 PolarHBondContact O-N 3.1Å; S180-E184 PolarHBondContact O-N 2.93Å; S180-E184 VanDerWaalsContact O-N 3.16Å
181R49.5Very low52.1Low147 Ų147107.9 Ų107.956%0.55563%0.626SS**Hα-helixtrans-81.1-26.4-174.1-159.5174.7-169.7-165.14.7112.8E178 K185E178-R181 PolarHBondContact O-N 3.37Å; R181-K185 WeakPolarHBondContact O-CB 3.42Å; R181-K185 WeakPolarHBondContact O-CD 3.5Å; R181-K185 WeakPolarHBondContact O-CG 3.49Å; R181-K185 PolarHBondContact O-N 3.03Å
182S51.5Low53.8Low75 Ų75112.6 Ų112.652%0.52462%0.62SS.*Hα-helixtrans-75.6-42.6175.9-59.50000111.1K185 E186S182-K185 PolarHBondContact O-N 3.05Å; S182-E186 PolarHBondContact O-N 3Å
183Q52.8Low55.7Low132 Ų132113.5 Ų113.562%0.61761%0.612SS**Hα-helixtrans-64.8-42.6174.8-111.5159.9-27.100112.7K185 E186 D187Q183-K185 VanDerWaalsContact C-N 3.28Å; Q183-K185 PolarHBondContact O-N 3.35Å; Q183-E186 PolarHBondContact O-N 3.44Å; Q183-D187 PolarHBondContact O-N 3.2Å
184E53.8Low57.1Low117 Ų117109.3 Ų109.355%0.54759%0.593SS.*Hα-helixtrans-64-32.2174.7-84.5-175.4136.300113.2S180 Q188S180-E184 PolarHBondContact O-N 2.93Å; S180-E184 VanDerWaalsContact O-N 3.16Å; E184-Q188 WeakPolarHBondContact O-CB 3.29Å; E184-Q188 VanDerWaalsContact O-CG 3.24Å; E184-Q188 WeakPolarHBondContact O-CG 3.36Å; E184-Q188 PolarHBondContact O-N 3.48Å
185K58.1Low58.6Low124 Ų124108.4 Ų108.454%0.53959%0.59SS.*Hα-helixtrans-72.6-39.6177.4-79.2174.6-178.2175.70111.7R181 S182 Q183 Q188 L189R181-K185 WeakPolarHBondContact O-CB 3.42Å; R181-K185 WeakPolarHBondContact O-CD 3.5Å; R181-K185 WeakPolarHBondContact O-CG 3.49Å; R181-K185 PolarHBondContact O-N 3.03Å; S182-K185 PolarHBondContact O-N 3.05Å; Q183-K185 VanDerWaalsContact C-N 3.28Å; Q183-K185 PolarHBondContact O-N 3.35Å; K185-Q188 PolarHBondContact O-N 2.72Å; K185-L189 WeakPolarHBondContact O-CB 3.49Å; K185-L189 PolarHBondContact O-N 2.93Å
186E58.5Low60Low140 Ų140109.9 Ų109.965%0.65460%0.598SS**Hα-helixtrans-65.2-41.8173.9-83.5-176.7140.500112.1S182 Q183 Q188 L189 S190S182-E186 PolarHBondContact O-N 3Å; Q183-E186 PolarHBondContact O-N 3.44Å; E186-Q188 PolarHBondContact O-N 2.89Å; E186-L189 PolarHBondContact O-N 3.12Å; E186-S190 WeakPolarHBondContact O-CB 3.45Å; E186-S190 PolarHBondContact O-N 3.4Å; E186-S190 PolarHBondContact O-OG 3.37Å
187D71.4Confident61.1Low103 Ų103116 Ų11655%0.55159%0.591SS**Hα-helixtrans-66.1-36.3176.3-83.9-10.9000112.7Q183 S190 R191Q183-D187 PolarHBondContact O-N 3.2Å; D187-S190 VanDerWaalsContact CA-OG 3.29Å; D187-S190 WeakPolarHBondContact CA-OG 3.35Å; D187-S190 PolarHBondContact O-OG 3.15Å; D187-R191 WeakPolarHBondContact O-CB 3.34Å; D187-R191 WeakPolarHBondContact O-CG 3.39Å; D187-R191 PolarHBondContact O-N 3.3Å; D187-R191 VanDerWaalsContact O-N 3.12Å
188Q70.4Confident61.6Low111 Ų111123.9 Ų123.952%0.51962%0.623SS.*Hα-helixtrans-72.5-37.1175-77.2179.516.400112.6E184 K185 E186 R192E184-Q188 WeakPolarHBondContact O-CB 3.29Å; E184-Q188 VanDerWaalsContact O-CG 3.24Å; E184-Q188 WeakPolarHBondContact O-CG 3.36Å; E184-Q188 PolarHBondContact O-N 3.48Å; K185-Q188 PolarHBondContact O-N 2.72Å; E186-Q188 PolarHBondContact O-N 2.89Å; Q188-R192 PolarHBondContact O-N 3.35Å
189L68.1Low62.7Low108 Ų108124.8 Ų124.857%0.56563%0.629SS**Hα-helixtrans-69.6-42.6178.7-153.278.8000111K185 E186 R192 L193K185-L189 WeakPolarHBondContact O-CB 3.49Å; K185-L189 PolarHBondContact O-N 2.93Å; E186-L189 PolarHBondContact O-N 3.12Å; L189-R192 PolarHBondContact O-N 3.22Å; L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 WeakPolarHBondContact O-CG 3.24Å; L189-L193 PolarHBondContact O-N 3.49Å
190S74.8Confident63.6Low60 Ų60125.8 Ų125.842%0.4262%0.623SS.*Hα-helixtrans-65-38.5176.150.70000112.2E186 D187 L193 A194E186-S190 WeakPolarHBondContact O-CB 3.45Å; E186-S190 PolarHBondContact O-N 3.4Å; E186-S190 PolarHBondContact O-OG 3.37Å; D187-S190 VanDerWaalsContact CA-OG 3.29Å; D187-S190 WeakPolarHBondContact CA-OG 3.35Å; D187-S190 PolarHBondContact O-OG 3.15Å; S190-L193 PolarHBondContact O-N 3.01Å; S190-A194 WeakPolarHBondContact O-CB 3.35Å; S190-A194 PolarHBondContact O-N 3.25Å
191R77.1Confident64.5Low199 Ų199128.7 Ų128.775%0.75163%0.629SS**Hα-helixtrans-63.8-40.3169.9-78.4-178.1-172-145.63.7113.4D187 A194 A195D187-R191 WeakPolarHBondContact O-CB 3.34Å; D187-R191 WeakPolarHBondContact O-CG 3.39Å; D187-R191 PolarHBondContact O-N 3.3Å; D187-R191 VanDerWaalsContact O-N 3.12Å; R191-A194 PolarHBondContact O-N 3.08Å; R191-A195 PolarHBondContact O-N 3.16Å; R191-A195 VanDerWaalsContact O-N 3.08Å
192R72.7Confident65.4Low173 Ų173127.6 Ų127.665%0.65363%0.633SS**Hα-helixtrans-67.4-39.1176.7-81.8-176.4173.7154.50.5112.5Q188 L189 A195 L196Q188-R192 PolarHBondContact O-N 3.35Å; L189-R192 PolarHBondContact O-N 3.22Å; R192-A195 PolarHBondContact O-N 3.01Å; R192-L196 PolarHBondContact O-N 3.34Å; R192-L196 VanDerWaalsContact O-N 3.15Å
193L73.9Confident66.3Low111 Ų111130.9 Ų130.958%0.58164%0.64SS**Hα-helixtrans-66.2-37.5175.2-76.1165.2000111.9L189 S190 A195 L196 R197L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 WeakPolarHBondContact O-CG 3.24Å; L189-L193 PolarHBondContact O-N 3.49Å; S190-L193 PolarHBondContact O-N 3.01Å; L193-A195 VanDerWaalsContact C-N 3.34Å; L193-L196 PolarHBondContact O-N 3.03Å; L193-R197 PolarHBondContact O-N 3.36Å
194A75.5Confident67.2Low60 Ų60130.8 Ų130.850%0.49664%0.642SS.*Hα-helixtrans-65.3-37.1173.500000112.5S190 R191 L196 R197S190-A194 WeakPolarHBondContact O-CB 3.35Å; S190-A194 PolarHBondContact O-N 3.25Å; R191-A194 PolarHBondContact O-N 3.08Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-L196 PolarHBondContact O-N 3.37Å; A194-R197 PolarHBondContact O-N 3.49Å
195A73.6Confident68.1Low73 Ų73131.8 Ų131.860%0.60365%0.649SS**Hα-helixtrans-70.7-25177.300000113.8R191 R192 L193R191-A195 PolarHBondContact O-N 3.16Å; R191-A195 VanDerWaalsContact O-N 3.08Å; R192-A195 PolarHBondContact O-N 3.01Å; L193-A195 VanDerWaalsContact C-N 3.34Å
196L67.4Low68.9Low145 Ų145132.4 Ų132.476%0.75966%0.657SS**THydrogen-bonded Turntrans-86.3-6.6176.6-77.4160.6000113.6R192 L193 A194R192-L196 PolarHBondContact O-N 3.34Å; R192-L196 VanDerWaalsContact O-N 3.15Å; L193-L196 PolarHBondContact O-N 3.03Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-L196 PolarHBondContact O-N 3.37Å
197R64.2Low69.8Low225 Ų225131.8 Ų131.885%0.84966%0.657SS**THydrogen-bonded Turntrans-97.53.6-178.5-162.9175.1167.7178.9-2.5113.3L193 A194L193-R197 PolarHBondContact O-N 3.36Å; A194-R197 PolarHBondContact O-N 3.49Å
198N48Very low69.6Low213 Ų213134.4 Ų134.4100%1.13967%0.667SS**  trans-108.50169.4-82.6-55.3000110.9

Retrieved 198 of 198 residues in 599.8 ms (Link to these results)