A0A087Y6E9_POEFO Loading...

1-acyl-sn-glycerol-3-phosphate acyltransferase delta

Converts 1-acyl-sn-glycerol-3-phosphate (lysophosphatidic acid or LPA) into 1,2-diacyl-sn-glycerol-3-phosphate (phosphatidic acid or PA) by incorporating an acyl moiety at the sn-2 position of the glycerol backbone. Exhibits high acyl-CoA specificity for polyunsaturated fatty acyl-CoA, especially docosahexaenoyl-CoA (22:6-CoA, DHA-CoA).

AlphaFold DB , UniProt , Accession A0A087Y6E9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 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
1M51.8Low66.3Low221 Ų221100.6 Ų100.6100%1.08952%0.52SS*.  0125.80-68.3-177.7-164.100107.6
2G65.1Low67Low46 Ų46101.6 Ų101.647%0.47453%0.526SS..  trans-75.3153.9-176.200000112.8L4 Q5 F6G2-L4 PolarHBondContact O-N 3.21Å; G2-L4 VanDerWaalsContact O-N 3.08Å; G2-Q5 WeakPolarHBondContact O-CB 3.44Å; G2-Q5 PolarHBondContact O-N 3.08Å; G2-F6 PolarHBondContact O-N 3.38Å
3L66.4Low67.9Low142 Ų14296.5 Ų96.574%0.74350%0.504SS*.Hα-helixtrans-46.5-39175.7-16690.5000112.5Q5 F6 L7L3-Q5 PolarHBondContact O-N 2.98Å; L3-F6 PolarHBondContact O-N 3.31Å; L3-L7 HydrophobicContact CD2-CD1 4.33Å; L3-L7 HydrophobicContact CG-CD1 4.35Å; L3-L7 WeakPolarHBondContact O-CB 3.41Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.46Å; L3-L7 PolarHBondContact O-N 2.82Å
4L63.6Low68.6Low116 Ų11691.6 Ų91.661%0.60748%0.477SS*.Hα-helixtrans-63.9-39177.8-165.377.9000112.9G2 L7 K8G2-L4 PolarHBondContact O-N 3.21Å; G2-L4 VanDerWaalsContact O-N 3.08Å; L4-L7 PolarHBondContact O-N 3.34Å; L4-K8 WeakPolarHBondContact O-CB 3.37Å; L4-K8 VanDerWaalsContact O-CG 3.24Å; L4-K8 WeakPolarHBondContact O-CG 3.28Å; L4-K8 PolarHBondContact O-N 2.95Å
5Q65.6Low69.3Low97 Ų9787.3 Ų87.345%0.45346%0.455SS..Hα-helixtrans-73.7-35.6179.6-165.7165.214.700111G2 L3 K8 S9G2-Q5 WeakPolarHBondContact O-CB 3.44Å; G2-Q5 PolarHBondContact O-N 3.08Å; L3-Q5 PolarHBondContact O-N 2.98Å; Q5-K8 PolarHBondContact O-N 3.29Å; Q5-S9 PolarHBondContact O-N 3.28Å; Q5-S9 PolarHBondContact O-OG 2.76Å
6F64.8Low70.1Confident127 Ų12785.8 Ų85.856%0.55745%0.447SS*.Hα-helixtrans-64-42.3171.6179.2-101.4000112.2G2 L3 S9 Q10G2-F6 PolarHBondContact O-N 3.38Å; L3-F6 PolarHBondContact O-N 3.31Å; F6-S9 WeakPolarHBondContact CA-OG 3.45Å; F6-S9 PolarHBondContact O-N 3.23Å; F6-S9 PolarHBondContact O-OG 2.85Å; F6-Q10 VanDerWaalsContact CE1-NE2 3.26Å; F6-Q10 WeakPolarHBondContact O-CG 3.29Å; F6-Q10 PolarHBondContact O-N 3.3Å; F6-Q10 PolarHBondContact O-NE2 2.84Å
7L66.7Low70.8Confident84 Ų8481.8 Ų81.844%0.4443%0.426SS..Hα-helixtrans-63.4-43174.3-74.5169000111.7L3 L4 S9 Q10 C13L3-L7 HydrophobicContact CD2-CD1 4.33Å; L3-L7 HydrophobicContact CG-CD1 4.35Å; L3-L7 WeakPolarHBondContact O-CB 3.41Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.46Å; L3-L7 PolarHBondContact O-N 2.82Å; L4-L7 PolarHBondContact O-N 3.34Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.19Å; L7-Q10 VanDerWaalsContact O-CB 3.31Å; L7-Q10 WeakPolarHBondContact O-CB 3.29Å; L7-Q10 WeakPolarHBondContact O-CG 3.28Å; L7-Q10 PolarHBondContact O-N 3.18Å; L7-Q10 VanDerWaalsContact O-N 3.1Å; L7-C13 PolarHBondContact O-SG 2.86Å; L7-C13 VanDerWaalsContact O-SG 3.41Å
8K68.3Low71.4Confident38 Ų3877.8 Ų77.817%0.16541%0.405CS..Hα-helixtrans-64.2-32.3177.2-73.5179178.6-174.40113L4 Q5 Q10 H14 W68L4-K8 WeakPolarHBondContact O-CB 3.37Å; L4-K8 VanDerWaalsContact O-CG 3.24Å; L4-K8 WeakPolarHBondContact O-CG 3.28Å; L4-K8 PolarHBondContact O-N 2.95Å; Q5-K8 PolarHBondContact O-N 3.29Å; K8-Q10 PolarHBondContact O-N 2.68Å; K8-H14 PolarHBondContact O-NE2 3.08Å; K8-W68 HydrophobicContact CB-CH2 4.32Å; K8-W68 HydrophobicContact CB-CZ2 3.72Å; K8-W68 WeakPolarHBondContact CE-O 3.19Å; K8-W68 HydrophobicContact CG-CD2 4.4Å; K8-W68 HydrophobicContact CG-CH2 3.81Å; K8-W68 HydrophobicContact CG-CZ2 3.58Å; K8-W68 HydrophobicContact CG-CZ3 4.31Å; K8-W68 PolarHBondContact NZ-O 3.03Å
9S67.4Low72.1Confident53 Ų5375.8 Ų75.837%0.37139%0.392SS..THydrogen-bonded Turntrans-76.8-4.8175.361.20000114.6Q5 F6 L7 F11Q5-S9 PolarHBondContact O-N 3.28Å; Q5-S9 PolarHBondContact O-OG 2.76Å; F6-S9 WeakPolarHBondContact CA-OG 3.45Å; F6-S9 PolarHBondContact O-N 3.23Å; F6-S9 PolarHBondContact O-OG 2.85Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.19Å; S9-F11 PolarHBondContact O-N 3.04Å
10Q76.1Confident72.8Confident68 Ų6872.1 Ų72.132%0.31837%0.373SS..  trans-69.2134.1-178.7-64.2-55.4-49.400111.4F6 L7 K8 L12 C13 H14F6-Q10 VanDerWaalsContact CE1-NE2 3.26Å; F6-Q10 WeakPolarHBondContact O-CG 3.29Å; F6-Q10 PolarHBondContact O-N 3.3Å; F6-Q10 PolarHBondContact O-NE2 2.84Å; L7-Q10 VanDerWaalsContact O-CB 3.31Å; L7-Q10 WeakPolarHBondContact O-CB 3.29Å; L7-Q10 WeakPolarHBondContact O-CG 3.28Å; L7-Q10 PolarHBondContact O-N 3.18Å; L7-Q10 VanDerWaalsContact O-N 3.1Å; K8-Q10 PolarHBondContact O-N 2.68Å; Q10-L12 PolarHBondContact O-N 3.02Å; Q10-C13 PolarHBondContact O-N 3.34Å; Q10-C13 VanDerWaalsContact O-N 3.09Å; Q10-H14 PolarHBondContact O-N 2.68Å
11F73.5Confident73.5Confident115 Ų11569.6 Ų69.650%0.50436%0.359SS..Hα-helixtrans-55.6-35.6176.2179.7-103.9000112.5S9 H14 L15S9-F11 PolarHBondContact O-N 3.04Å; F11-H14 PolarHBondContact O-N 2.79Å; F11-L15 HydrophobicContact CE1-CD2 4.47Å; F11-L15 WeakPolarHBondContact O-CB 3.42Å; F11-L15 PolarHBondContact O-N 3.45Å
12L75.3Confident75.1Confident112 Ų11260.1 Ų60.159%0.58631%0.313SS*.Hα-helixtrans-64.4-40.4178.9-173.562.6000112.4Q10 L15 I16Q10-L12 PolarHBondContact O-N 3.02Å; L12-L15 PolarHBondContact O-N 2.87Å; L12-I16 HydrophobicContact CD1-CD1 4.46Å; L12-I16 HydrophobicContact CG-CD1 4.11Å; L12-I16 VanDerWaalsContact O-CG1 3.31Å; L12-I16 WeakPolarHBondContact O-CG1 3.31Å; L12-I16 PolarHBondContact O-N 3.45Å
13C78.1Confident76.2Confident36 Ų3659.7 Ų59.724%0.24330%0.301CS..Hα-helixtrans-65.4-41.8176.2-690000111.3L7 Q10 L15 I16 M17 W68L7-C13 PolarHBondContact O-SG 2.86Å; L7-C13 VanDerWaalsContact O-SG 3.41Å; Q10-C13 PolarHBondContact O-N 3.34Å; Q10-C13 VanDerWaalsContact O-N 3.09Å; C13-L15 VanDerWaalsContact C-N 3.34Å; C13-L15 PolarHBondContact O-N 3.29Å; C13-I16 PolarHBondContact O-N 3.47Å; C13-M17 WeakPolarHBondContact O-CG 3.11Å; C13-M17 PolarHBondContact O-N 3.29Å; C13-W68 HydrophobicContact CB-CH2 3.87Å; C13-W68 HydrophobicContact CB-CZ2 4.15Å
14H78Confident77.3Confident27 Ų2753 Ų5313%0.12527%0.266CS..Hα-helixtrans-60.2-45.7172.8-58.3151.7000111.3K8 Q10 F11 I16 M17 C18 L245 N246K8-H14 PolarHBondContact O-NE2 3.08Å; Q10-H14 PolarHBondContact O-N 2.68Å; F11-H14 PolarHBondContact O-N 2.79Å; H14-I16 PolarHBondContact O-N 2.84Å; H14-M17 PolarHBondContact O-N 2.94Å; H14-C18 WeakPolarHBondContact O-CB 3.32Å; H14-C18 PolarHBondContact O-N 3.31Å; H14-C18 PolarHBondContact O-SG 3.41Å; H14-L245 PolarHBondContact CD2-O 2.87Å; H14-L245 VanDerWaalsContact CD2-O 3.29Å; H14-L245 PolarHBondContact NE2-O 2.87Å; H14-N246 PolarHBondContact CE1-OD1 2.88Å; H14-N246 PolarHBondContact NE2-OD1 3.21Å
15L78.7Confident78.4Confident28 Ų2847.4 Ų47.415%0.14724%0.237CC..Hα-helixtrans-60.9-44.4-179.7-172.667.9000111.5F11 L12 C13 C18 Y19 C346 V349F11-L15 HydrophobicContact CE1-CD2 4.47Å; F11-L15 WeakPolarHBondContact O-CB 3.42Å; F11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 2.87Å; C13-L15 VanDerWaalsContact C-N 3.34Å; C13-L15 PolarHBondContact O-N 3.29Å; L15-C18 PolarHBondContact O-N 3.28Å; L15-Y19 VanDerWaalsContact O-CB 3.22Å; L15-Y19 WeakPolarHBondContact O-CB 3.5Å; L15-Y19 PolarHBondContact O-N 2.84Å; L15-C346 HydrophobicContact CD2-CB 4.26Å; L15-V349 HydrophobicContact CD1-CB 4.49Å; L15-V349 HydrophobicContact CD1-CG1 3.96Å
16I82.1Confident79.5Confident63 Ų6346.4 Ų46.432%0.32323%0.234SC..Hα-helixtrans-62.2-48.7176.9-70.6168.3000110.8L12 C13 H14 C18 Y19 V20 L320L12-I16 HydrophobicContact CD1-CD1 4.46Å; L12-I16 HydrophobicContact CG-CD1 4.11Å; L12-I16 VanDerWaalsContact O-CG1 3.31Å; L12-I16 WeakPolarHBondContact O-CG1 3.31Å; L12-I16 PolarHBondContact O-N 3.45Å; C13-I16 PolarHBondContact O-N 3.47Å; H14-I16 PolarHBondContact O-N 2.84Å; I16-C18 VanDerWaalsContact C-N 3.32Å; I16-C18 PolarHBondContact O-N 3.29Å; I16-Y19 PolarHBondContact O-N 3.41Å; I16-V20 HydrophobicContact CG2-CG2 4.5Å; I16-V20 WeakPolarHBondContact O-CG2 3.44Å; I16-V20 PolarHBondContact O-N 2.75Å; I16-L320 HydrophobicContact CG2-CD1 3.99Å; I16-L320 HydrophobicContact CG2-CD2 3.97Å
17M82.4Confident80.6Confident18 Ų1843.3 Ų43.39%0.08922%0.223CC..Hα-helixtrans-60.8-42.3178.2-73-172-66.500112.1C13 H14 V20 F21 W68 L245 W312C13-M17 WeakPolarHBondContact O-CG 3.11Å; C13-M17 PolarHBondContact O-N 3.29Å; H14-M17 PolarHBondContact O-N 2.94Å; M17-V20 PolarHBondContact O-N 3.36Å; M17-F21 WeakPolarHBondContact O-CB 3.27Å; M17-F21 PolarHBondContact O-N 3.01Å; M17-W68 HydrophobicContact CE-CD2 4.04Å; M17-W68 VanDerWaalsContact CE-CE2 3.41Å; M17-W68 HydrophobicContact CE-CG 4.5Å; M17-W68 HydrophobicContact CE-CH2 4.17Å; M17-W68 HydrophobicContact CE-CZ2 3.47Å; M17-W68 VanDerWaalsContact CE-CZ2 3.47Å; M17-W68 HydrophobicContact SD-CD2 3.58Å; M17-W68 VanDerWaalsContact SD-CD2 3.58Å; M17-W68 HydrophobicContact SD-CE3 3.91Å; M17-W68 HydrophobicContact SD-CG 3.95Å; M17-W68 HydrophobicContact SD-CH2 4.28Å; M17-W68 HydrophobicContact SD-CZ2 3.98Å; M17-W68 HydrophobicContact SD-CZ3 4.25Å; M17-L245 HydrophobicContact CE-CD2 4.15Å; M17-W312 HydrophobicContact CG-CZ2 4.33Å
18C82.3Confident81.7Confident9 Ų939.3 Ų39.36%0.06120%0.202CC..Hα-helixtrans-67.9-39.7178.6-63.30000111.4H14 L15 I16 F21 L22 V349 M353H14-C18 WeakPolarHBondContact O-CB 3.32Å; H14-C18 PolarHBondContact O-N 3.31Å; H14-C18 PolarHBondContact O-SG 3.41Å; L15-C18 PolarHBondContact O-N 3.28Å; I16-C18 VanDerWaalsContact C-N 3.32Å; I16-C18 PolarHBondContact O-N 3.29Å; C18-F21 PolarHBondContact O-N 2.86Å; C18-L22 WeakPolarHBondContact O-CB 3.45Å; C18-L22 VanDerWaalsContact O-CG 3.31Å; C18-L22 WeakPolarHBondContact O-CG 3.44Å; C18-L22 PolarHBondContact O-N 2.94Å; C18-V349 HydrophobicContact CB-CG1 4.4Å; C18-M353 HydrophobicContact CB-CB 4.32Å; C18-M353 HydrophobicContact CB-CG 4.19Å; C18-M353 HydrophobicContact CB-SD 4.39Å; C18-M353 WeakPolarHBondContact SG-CG 3.42Å
19Y84.1Confident82.7Confident41 Ų4137.6 Ų37.616%0.16119%0.194CC..Hα-helixtrans-61.9-49.2175.1176.5-98.6000111.3L15 I16 F21 L22 V23 V319 L320 L323 V349L15-Y19 VanDerWaalsContact O-CB 3.22Å; L15-Y19 WeakPolarHBondContact O-CB 3.5Å; L15-Y19 PolarHBondContact O-N 2.84Å; I16-Y19 PolarHBondContact O-N 3.41Å; Y19-F21 VanDerWaalsContact C-N 3.33Å; Y19-F21 PolarHBondContact O-N 3.48Å; Y19-L22 PolarHBondContact O-N 3.26Å; Y19-V23 HydrophobicContact CD2-CG2 3.79Å; Y19-V23 HydrophobicContact CE1-CG2 4.34Å; Y19-V23 HydrophobicContact CE2-CG2 3.51Å; Y19-V23 HydrophobicContact CG-CG2 4.32Å; Y19-V23 WeakPolarHBondContact O-CB 3.44Å; Y19-V23 WeakPolarHBondContact O-CG2 3.39Å; Y19-V23 PolarHBondContact O-N 3.03Å; Y19-V319 HydrophobicContact CD1-CG1 3.97Å; Y19-V319 HydrophobicContact CE1-CG1 3.32Å; Y19-L320 HydrophobicContact CD1-CD2 4.13Å; Y19-L320 HydrophobicContact CE1-CD2 4.42Å; Y19-L323 HydrophobicContact CD1-CD2 3.88Å; Y19-L323 HydrophobicContact CE1-CB 4.03Å; Y19-L323 HydrophobicContact CE1-CD1 4.35Å; Y19-L323 HydrophobicContact CE1-CD2 3.56Å; Y19-L323 HydrophobicContact CE1-CG 4.17Å; Y19-L323 HydrophobicContact CE2-CD1 4.41Å; Y19-V349 HydrophobicContact CD2-CG2 4.33Å
20V86.6Confident83.7Confident0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-57.4-48.4176.3172.80000110.1I16 M17 S24 W315 L320I16-V20 HydrophobicContact CG2-CG2 4.5Å; I16-V20 WeakPolarHBondContact O-CG2 3.44Å; I16-V20 PolarHBondContact O-N 2.75Å; M17-V20 PolarHBondContact O-N 3.36Å; V20-S24 WeakPolarHBondContact O-CB 3.38Å; V20-S24 PolarHBondContact O-N 2.73Å; V20-S24 PolarHBondContact O-OG 2.82Å; V20-W315 HydrophobicContact CG1-CB 4.29Å; V20-L320 HydrophobicContact CG2-CD1 4.19Å; V20-L320 HydrophobicContact CG2-CD2 3.87Å; V20-L320 HydrophobicContact CG2-CG 3.93Å
21F87.2Confident84.3Confident21 Ų2140.7 Ų40.79%0.09221%0.208CC..Hα-helixtrans-62.5-47.2-179.7176.4-102.2000113.1M17 C18 Y19 S24 G25 I57 Q60 M61 V131 I132 M356M17-F21 WeakPolarHBondContact O-CB 3.27Å; M17-F21 PolarHBondContact O-N 3.01Å; C18-F21 PolarHBondContact O-N 2.86Å; Y19-F21 VanDerWaalsContact C-N 3.33Å; Y19-F21 PolarHBondContact O-N 3.48Å; F21-S24 PolarHBondContact O-OG 3.31Å; F21-G25 WeakPolarHBondContact O-CA 3.48Å; F21-G25 PolarHBondContact O-N 3.29Å; F21-I57 HydrophobicContact CE2-CG2 3.98Å; F21-I57 HydrophobicContact CZ-CG2 4.33Å; F21-Q60 HydrophobicContact CD2-CB 4.17Å; F21-M61 HydrophobicContact CD2-CG 4.38Å; F21-M61 HydrophobicContact CE2-CG 3.66Å; F21-M61 HydrophobicContact CE2-SD 4.07Å; F21-M61 HydrophobicContact CZ-CG 4.15Å; F21-M61 HydrophobicContact CZ-SD 3.99Å; F21-V131 HydrophobicContact CE1-CG1 4.3Å; F21-V131 HydrophobicContact CZ-CG1 4.12Å; F21-I132 HydrophobicContact CE2-CD1 4.49Å; F21-I132 HydrophobicContact CZ-CD1 3.86Å; F21-I132 HydrophobicContact CZ-CG1 3.98Å; F21-M356 HydrophobicContact CE1-CE 4.07Å
22L85.9Confident84.9Confident22 Ų2235.2 Ų35.212%0.11518%0.184CC..Hα-helixtrans-68.9-47.7-178.1-72.2176.8000111.9C18 Y19 G25 L26 V131 V349 M356C18-L22 WeakPolarHBondContact O-CB 3.45Å; C18-L22 VanDerWaalsContact O-CG 3.31Å; C18-L22 WeakPolarHBondContact O-CG 3.44Å; C18-L22 PolarHBondContact O-N 2.94Å; Y19-L22 PolarHBondContact O-N 3.26Å; L22-G25 PolarHBondContact O-N 3.35Å; L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 VanDerWaalsContact O-CG 3.22Å; L22-L26 WeakPolarHBondContact O-CG 3.04Å; L22-L26 PolarHBondContact O-N 3.02Å; L22-V131 HydrophobicContact CD2-CG2 4.16Å; L22-V349 HydrophobicContact CD1-CG1 4.14Å; L22-M356 HydrophobicContact CD2-SD 3.69Å
23V86.8Confident85.5Confident37 Ų3733.7 Ų33.722%0.22418%0.175CC..Hα-helixtrans-71.6-45.5-176.2-179.40000111.1Y19 G25 L26 I27 V319Y19-V23 HydrophobicContact CD2-CG2 3.79Å; Y19-V23 HydrophobicContact CE1-CG2 4.34Å; Y19-V23 HydrophobicContact CE2-CG2 3.51Å; Y19-V23 HydrophobicContact CG-CG2 4.32Å; Y19-V23 WeakPolarHBondContact O-CB 3.44Å; Y19-V23 WeakPolarHBondContact O-CG2 3.39Å; Y19-V23 PolarHBondContact O-N 3.03Å; V23-G25 VanDerWaalsContact C-N 3.29Å; V23-G25 PolarHBondContact O-N 2.87Å; V23-L26 PolarHBondContact O-N 3.23Å; V23-I27 HydrophobicContact CG1-CD1 3.99Å; V23-I27 VanDerWaalsContact O-CG1 3.28Å; V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 3.18Å; V23-V319 HydrophobicContact CB-CG1 3.73Å; V23-V319 HydrophobicContact CG1-CG1 3.67Å; V23-V319 HydrophobicContact CG1-CG2 4.49Å; V23-V319 HydrophobicContact CG2-CG1 4.44Å
24S89.6Confident85.9Confident0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-61.4-41.3173.666.40000111.2V20 F21 L26 I27 V28 Q60 W315V20-S24 WeakPolarHBondContact O-CB 3.38Å; V20-S24 PolarHBondContact O-N 2.73Å; V20-S24 PolarHBondContact O-OG 2.82Å; F21-S24 PolarHBondContact O-OG 3.31Å; S24-L26 PolarHBondContact O-N 2.55Å; S24-I27 PolarHBondContact O-N 2.76Å; S24-V28 WeakPolarHBondContact O-CB 3.37Å; S24-V28 VanDerWaalsContact O-CG2 3.26Å; S24-V28 WeakPolarHBondContact O-CG2 3.19Å; S24-V28 PolarHBondContact O-N 3.46Å; S24-Q60 PolarHBondContact OG-NE2 3.29Å; S24-Q60 PolarHBondContact OG-OE1 3.03Å; S24-W315 VanDerWaalsContact CB-CE3 3.47Å
25G87.8Confident86.1Confident0 Ų035.2 Ų35.20%019%0.188CC..Hα-helixtrans-59.7-43.7175.700000112.9F21 L22 V23 V28 N29F21-G25 WeakPolarHBondContact O-CA 3.48Å; F21-G25 PolarHBondContact O-N 3.29Å; L22-G25 PolarHBondContact O-N 3.35Å; V23-G25 VanDerWaalsContact C-N 3.29Å; V23-G25 PolarHBondContact O-N 2.87Å; G25-V28 PolarHBondContact O-N 3.02Å; G25-N29 WeakPolarHBondContact O-CB 3.27Å; G25-N29 PolarHBondContact O-N 3.4Å; G25-N29 PolarHBondContact O-ND2 3.04Å
26L88.1Confident86.4Confident75 Ų7538.4 Ų38.439%0.39321%0.205SC..Hα-helixtrans-65.7-43.8175.8-73171.3000111.7L22 V23 S24 V28 N29 L30 V131 W134L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 VanDerWaalsContact O-CG 3.22Å; L22-L26 WeakPolarHBondContact O-CG 3.04Å; L22-L26 PolarHBondContact O-N 3.02Å; V23-L26 PolarHBondContact O-N 3.23Å; S24-L26 PolarHBondContact O-N 2.55Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 3.25Å; L26-N29 PolarHBondContact O-N 3.32Å; L26-L30 WeakPolarHBondContact O-CG 3.11Å; L26-L30 PolarHBondContact O-N 3.07Å; L26-V131 HydrophobicContact CD2-CG2 4.25Å; L26-V131 HydrophobicContact CG-CG2 4.15Å; L26-W134 HydrophobicContact CD2-CZ3 3.91Å
27I88.6Confident86.5Confident62 Ų6239.3 Ų39.332%0.31822%0.215SC..Hα-helixtrans-58.3-48175-67.8165.2000110.3V23 S24 N29 L30 I31 W315V23-I27 HydrophobicContact CG1-CD1 3.99Å; V23-I27 VanDerWaalsContact O-CG1 3.28Å; V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 3.18Å; S24-I27 PolarHBondContact O-N 2.76Å; I27-N29 VanDerWaalsContact C-N 3.33Å; I27-N29 PolarHBondContact O-N 2.84Å; I27-L30 WeakPolarHBondContact O-CB 3.18Å; I27-L30 PolarHBondContact O-N 3.37Å; I27-I31 HydrophobicContact CG2-CD1 4.08Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 2.92Å; I27-W315 HydrophobicContact CB-CZ3 4.43Å; I27-W315 HydrophobicContact CD1-CZ3 4.38Å; I27-W315 HydrophobicContact CG2-CH2 4.03Å; I27-W315 HydrophobicContact CG2-CZ3 4.11Å
28V89.4Confident86.5Confident1 Ų141.6 Ų41.61%0.00623%0.227CC..Hα-helixtrans-61.1-42.9178172.80000111S24 G25 L26 L30 I31 Q32 L53 C56 I57 W315S24-V28 WeakPolarHBondContact O-CB 3.37Å; S24-V28 VanDerWaalsContact O-CG2 3.26Å; S24-V28 WeakPolarHBondContact O-CG2 3.19Å; S24-V28 PolarHBondContact O-N 3.46Å; G25-V28 PolarHBondContact O-N 3.02Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 3.25Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.25Å; V28-I31 CarbonylContact O-C 3.48Å; V28-I31 WeakPolarHBondContact O-CB 3.46Å; V28-I31 PolarHBondContact O-N 2.9Å; V28-I31 VanDerWaalsContact O-N 3.17Å; V28-Q32 WeakPolarHBondContact O-CG 3.38Å; V28-Q32 PolarHBondContact O-N 3.45Å; V28-L53 HydrophobicContact CG1-CB 3.79Å; V28-L53 HydrophobicContact CG1-CD2 4.18Å; V28-L53 WeakPolarHBondContact CG1-O 3.34Å; V28-C56 HydrophobicContact CG2-CB 4.32Å; V28-I57 HydrophobicContact CB-CD1 3.98Å; V28-I57 HydrophobicContact CB-CG1 4.04Å; V28-I57 HydrophobicContact CG1-CD1 3.64Å; V28-I57 HydrophobicContact CG1-CG1 3.84Å; V28-I57 HydrophobicContact CG2-CG1 4.44Å; V28-W315 HydrophobicContact CG2-CH2 3.93Å; V28-W315 HydrophobicContact CG2-CZ2 3.57Å
29N88.7Confident86.3Confident1 Ų144.7 Ų44.71%0.00524%0.237CC..Hα-helixtrans-64.9-35.9176.5-81.7-73.4000113G25 L26 I27 I31 Q32 I33 V131 W134 M135G25-N29 WeakPolarHBondContact O-CB 3.27Å; G25-N29 PolarHBondContact O-N 3.4Å; G25-N29 PolarHBondContact O-ND2 3.04Å; L26-N29 PolarHBondContact O-N 3.32Å; I27-N29 VanDerWaalsContact C-N 3.33Å; I27-N29 PolarHBondContact O-N 2.84Å; N29-I31 VanDerWaalsContact C-N 3.32Å; N29-Q32 WeakPolarHBondContact O-CB 3.31Å; N29-Q32 PolarHBondContact O-N 3.31Å; N29-Q32 PolarHBondContact OD1-OE1 3.49Å; N29-I33 WeakPolarHBondContact O-CG1 3.49Å; N29-I33 PolarHBondContact O-N 2.94Å; N29-V131 VanDerWaalsContact ND2-CA 3.34Å; N29-V131 WeakPolarHBondContact ND2-CA 3.49Å; N29-V131 PolarHBondContact ND2-O 2.98Å; N29-V131 VanDerWaalsContact ND2-O 3.09Å; N29-W134 HydrophobicContact CB-CE3 3.9Å; N29-W134 WeakPolarHBondContact OD1-CB 3.41Å; N29-M135 PolarHBondContact OD1-N 3.2Å
30L88.8Confident86.1Confident111 Ų11150 Ų5058%0.58127%0.268SS*.Hα-helixtrans-61.8-43.4172-69.8172.1000110.7L26 I27 V28 Q32 I33 C34L26-L30 WeakPolarHBondContact O-CG 3.11Å; L26-L30 PolarHBondContact O-N 3.07Å; I27-L30 WeakPolarHBondContact O-CB 3.18Å; I27-L30 PolarHBondContact O-N 3.37Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.25Å; L30-Q32 VanDerWaalsContact C-N 3.3Å; L30-Q32 PolarHBondContact O-N 3.12Å; L30-I33 HydrophobicContact CD2-CD1 4.46Å; L30-I33 WeakPolarHBondContact O-CB 3.32Å; L30-I33 PolarHBondContact O-N 2.85Å; L30-C34 PolarHBondContact O-N 3.41Å; L30-C34 PolarHBondContact O-SG 3.1Å
31I88.1Confident85.9Confident75 Ų7556.2 Ų56.239%0.38531%0.306SS..Hα-helixtrans-61.5-40173.7-61.8165.6000110.5I27 V28 N29 I33 C34 T35 L53I27-I31 HydrophobicContact CG2-CD1 4.08Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 2.92Å; V28-I31 CarbonylContact O-C 3.48Å; V28-I31 WeakPolarHBondContact O-CB 3.46Å; V28-I31 PolarHBondContact O-N 2.9Å; V28-I31 VanDerWaalsContact O-N 3.17Å; N29-I31 VanDerWaalsContact C-N 3.32Å; I31-I33 VanDerWaalsContact C-N 3.34Å; I31-I33 PolarHBondContact O-N 3.36Å; I31-C34 CarbonylContact O-C 3.58Å; I31-C34 WeakPolarHBondContact O-CA 3.2Å; I31-C34 WeakPolarHBondContact O-CB 3.39Å; I31-C34 PolarHBondContact O-N 2.83Å; I31-C34 VanDerWaalsContact O-N 3.09Å; I31-T35 WeakPolarHBondContact O-CG2 3.43Å; I31-T35 PolarHBondContact O-N 2.76Å; I31-L53 HydrophobicContact CB-CD1 4.46Å; I31-L53 HydrophobicContact CG2-CD1 3.82Å; I31-L53 HydrophobicContact CG2-CD2 3.98Å
32Q86.6Confident85.7Confident0 Ų057.4 Ų57.40%032%0.317CS..Hα-helixtrans-61.2-39.8175.2-68.6-175.5-62.500112V28 N29 L30 C34 T35 N50 L53 F138V28-Q32 WeakPolarHBondContact O-CG 3.38Å; V28-Q32 PolarHBondContact O-N 3.45Å; N29-Q32 WeakPolarHBondContact O-CB 3.31Å; N29-Q32 PolarHBondContact O-N 3.31Å; N29-Q32 PolarHBondContact OD1-OE1 3.49Å; L30-Q32 VanDerWaalsContact C-N 3.3Å; L30-Q32 PolarHBondContact O-N 3.12Å; Q32-C34 VanDerWaalsContact C-N 3.3Å; Q32-C34 PolarHBondContact O-N 3.17Å; Q32-T35 WeakPolarHBondContact O-CB 3.44Å; Q32-T35 PolarHBondContact O-N 3.46Å; Q32-T35 PolarHBondContact O-OG1 3.47Å; Q32-N50 WeakPolarHBondContact CG-OD1 3.42Å; Q32-L53 HydrophobicContact CB-CD1 4.45Å; Q32-L53 HydrophobicContact CG-CB 3.89Å; Q32-L53 HydrophobicContact CG-CD1 3.57Å; Q32-L53 HydrophobicContact CG-CG 4.37Å; Q32-F138 HydrophobicContact CB-CB 4.4Å; Q32-F138 HydrophobicContact CB-CD1 4.11Å; Q32-F138 HydrophobicContact CB-CD2 3.52Å; Q32-F138 HydrophobicContact CB-CE1 4.27Å; Q32-F138 HydrophobicContact CB-CE2 3.72Å; Q32-F138 HydrophobicContact CB-CG 3.75Å; Q32-F138 HydrophobicContact CB-CZ 4.11Å; Q32-F138 HydrophobicContact CG-CD2 4.22Å; Q32-F138 HydrophobicContact CG-CG 4.38Å
33I87.4Confident85.4Confident80 Ų8062.3 Ų62.341%0.4134%0.337SS..Hα-helixtrans-61.1-41172.4-66.4164.5000110.6N29 L30 I31 T35 L36 F138N29-I33 WeakPolarHBondContact O-CG1 3.49Å; N29-I33 PolarHBondContact O-N 2.94Å; L30-I33 HydrophobicContact CD2-CD1 4.46Å; L30-I33 WeakPolarHBondContact O-CB 3.32Å; L30-I33 PolarHBondContact O-N 2.85Å; I31-I33 VanDerWaalsContact C-N 3.34Å; I31-I33 PolarHBondContact O-N 3.36Å; I33-T35 PolarHBondContact O-N 3.14Å; I33-T35 VanDerWaalsContact O-N 3.13Å; I33-L36 HydrophobicContact CG2-CD1 4.16Å; I33-L36 VanDerWaalsContact O-CB 3.29Å; I33-L36 WeakPolarHBondContact O-CB 3.43Å; I33-L36 VanDerWaalsContact O-CG 3.24Å; I33-L36 WeakPolarHBondContact O-CG 3.3Å; I33-L36 PolarHBondContact O-N 3Å; I33-F138 HydrophobicContact CB-CZ 4.44Å; I33-F138 HydrophobicContact CG1-CE2 4.17Å; I33-F138 HydrophobicContact CG1-CZ 3.62Å
34C85.8Confident85.1Confident88 Ų8865.9 Ų65.960%0.59535%0.351SS*.Hα-helixtrans-64.6-12.8174.6-61.30000113.7L30 I31 Q32 L36 P37L30-C34 PolarHBondContact O-N 3.41Å; L30-C34 PolarHBondContact O-SG 3.1Å; I31-C34 CarbonylContact O-C 3.58Å; I31-C34 WeakPolarHBondContact O-CA 3.2Å; I31-C34 WeakPolarHBondContact O-CB 3.39Å; I31-C34 PolarHBondContact O-N 2.83Å; I31-C34 VanDerWaalsContact O-N 3.09Å; Q32-C34 VanDerWaalsContact C-N 3.3Å; Q32-C34 PolarHBondContact O-N 3.17Å; C34-L36 VanDerWaalsContact C-N 3.34Å; C34-P37 WeakPolarHBondContact O-CD 3.39Å
35T84.1Confident84.7Confident7 Ų769.8 Ų69.84%0.04337%0.372CS..THydrogen-bonded Turntrans-81.7-8.3171.573.60000113.8I31 Q32 I33 L38 W39 I49 N50 L53I31-T35 WeakPolarHBondContact O-CG2 3.43Å; I31-T35 PolarHBondContact O-N 2.76Å; Q32-T35 WeakPolarHBondContact O-CB 3.44Å; Q32-T35 PolarHBondContact O-N 3.46Å; Q32-T35 PolarHBondContact O-OG1 3.47Å; I33-T35 PolarHBondContact O-N 3.14Å; I33-T35 VanDerWaalsContact O-N 3.13Å; T35-L38 WeakPolarHBondContact O-CB 3.25Å; T35-L38 PolarHBondContact O-N 2.97Å; T35-L38 VanDerWaalsContact O-N 3.13Å; T35-W39 PolarHBondContact O-N 3Å; T35-W39 VanDerWaalsContact O-N 3.13Å; T35-I49 HydrophobicContact CG2-CG2 3.86Å; T35-N50 PolarHBondContact OG1-ND2 2.86Å; T35-N50 VanDerWaalsContact OG1-ND2 3.13Å; T35-N50 PolarHBondContact OG1-OD1 2.99Å; T35-L53 HydrophobicContact CG2-CD1 4.18Å
36L83.2Confident84.5Confident95 Ų9569.8 Ų69.850%0.49737%0.372SS..Hα-helixtrans-61.2-41.3179.7-68.1173.4000113.5I33 C34 L38 W39 F138I33-L36 HydrophobicContact CG2-CD1 4.16Å; I33-L36 VanDerWaalsContact O-CB 3.29Å; I33-L36 WeakPolarHBondContact O-CB 3.43Å; I33-L36 VanDerWaalsContact O-CG 3.24Å; I33-L36 WeakPolarHBondContact O-CG 3.3Å; I33-L36 PolarHBondContact O-N 3Å; C34-L36 VanDerWaalsContact C-N 3.34Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.31Å; L36-W39 WeakPolarHBondContact O-CB 3.39Å; L36-W39 PolarHBondContact O-N 3.22Å; L36-W39 VanDerWaalsContact O-N 3.11Å; L36-F138 HydrophobicContact CD2-CE1 4.09Å; L36-F138 HydrophobicContact CG-CE1 4.36Å
37P84.8Confident84.3Confident82 Ų8267 Ų6753%0.53236%0.356SS..Hα-helixtrans-63.7-35.8173.6-2234.9000112.4C34 W39 L40C34-P37 WeakPolarHBondContact O-CD 3.39Å; P37-W39 PolarHBondContact O-N 3.05Å; P37-L40 WeakPolarHBondContact O-CB 3.44Å; P37-L40 PolarHBondContact O-N 3.28Å; P37-L40 VanDerWaalsContact O-N 3.14Å
38L82.5Confident84.1Confident67 Ų6768.5 Ų68.535%0.35136%0.36SS..Hα-helixtrans-63.4-26.8174.6-78117.6000112.3T35 L36 L40 V41 S42 L45 A46 I49T35-L38 WeakPolarHBondContact O-CB 3.25Å; T35-L38 PolarHBondContact O-N 2.97Å; T35-L38 VanDerWaalsContact O-N 3.13Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.31Å; L38-L40 PolarHBondContact O-N 3.47Å; L38-V41 PolarHBondContact O-N 3.44Å; L38-S42 CarbonylContact O-C 3.58Å; L38-S42 PolarHBondContact O-N 2.97Å; L38-L45 HydrophobicContact CD2-CD2 4.05Å; L38-A46 HydrophobicContact CB-CB 4.48Å; L38-I49 HydrophobicContact CD2-CD1 4.43Å
39W78.6Confident83.9Confident73 Ų7371.1 Ų71.128%0.27737%0.374SS..Hα-helixtrans-60.6-34.2175-169.9-91.5000112.8T35 L36 P37 V41 K43 A46 R47 E140T35-W39 PolarHBondContact O-N 3Å; T35-W39 VanDerWaalsContact O-N 3.13Å; L36-W39 WeakPolarHBondContact O-CB 3.39Å; L36-W39 PolarHBondContact O-N 3.22Å; L36-W39 VanDerWaalsContact O-N 3.11Å; P37-W39 PolarHBondContact O-N 3.05Å; W39-V41 VanDerWaalsContact C-N 3.32Å; W39-K43 HydrophobicContact CD2-CG 4.24Å; W39-K43 HydrophobicContact CG-CG 4.48Å; W39-K43 HydrophobicContact CZ2-CD 4.33Å; W39-K43 HydrophobicContact CZ2-CG 4.27Å; W39-K43 WeakPolarHBondContact O-CG 3.5Å; W39-A46 HydrophobicContact CB-CB 4.46Å; W39-A46 HydrophobicContact CE3-CB 3.75Å; W39-A46 HydrophobicContact CZ3-CB 4.46Å; W39-R47 HydrophobicContact CH2-CG 4.22Å; W39-R47 HydrophobicContact CZ3-CG 3.89Å; W39-E140 HydrophobicContact CH2-CG 4.49Å
40L80.4Confident83.7Confident154 Ų15471.3 Ų71.381%0.80637%0.374SS*.Hα-helixtrans-71.6-28.9178.4-60.2175.9000112.1P37 L38P37-L40 WeakPolarHBondContact O-CB 3.44Å; P37-L40 PolarHBondContact O-N 3.28Å; P37-L40 VanDerWaalsContact O-N 3.14Å; L38-L40 PolarHBondContact O-N 3.47Å
41V82.3Confident83.6Confident130 Ų13066.2 Ų66.279%0.78835%0.348SS*.Hα-helixtrans-90.2-48.8-178.3-176.60000111.4L38 W39L38-V41 PolarHBondContact O-N 3.44Å; W39-V41 VanDerWaalsContact C-N 3.32Å
42S82.3Confident83.6Confident46 Ų4670.3 Ų70.332%0.32236%0.359SS..  trans-150.7103178.7-178.80000111.5L38 Q44 L45 A46L38-S42 CarbonylContact O-C 3.58Å; L38-S42 PolarHBondContact O-N 2.97Å; S42-Q44 PolarHBondContact O-N 3.01Å; S42-L45 PolarHBondContact O-N 3.41Å; S42-L45 PolarHBondContact OG-N 3.42Å; S42-A46 PolarHBondContact O-N 3.08Å
43K79.8Confident83.6Confident124 Ų12471.4 Ų71.454%0.53936%0.364SS..Hα-helixtrans-56.2-38.5174-64.1-178.6-178172.70112.3W39 R47W39-K43 HydrophobicContact CD2-CG 4.24Å; W39-K43 HydrophobicContact CG-CG 4.48Å; W39-K43 HydrophobicContact CZ2-CD 4.33Å; W39-K43 HydrophobicContact CZ2-CG 4.27Å; W39-K43 WeakPolarHBondContact O-CG 3.5Å; K43-R47 WeakPolarHBondContact O-CB 3.5Å; K43-R47 VanDerWaalsContact O-CG 3.25Å; K43-R47 WeakPolarHBondContact O-CG 3.34Å; K43-R47 PolarHBondContact O-N 3.25Å
44Q80.9Confident83.5Confident112 Ų11267.7 Ų67.752%0.52335%0.346SS..Hα-helixtrans-68.7-40.9-178.8-68.1-175.9-0.500112.2S42 R47 K48 P166S42-Q44 PolarHBondContact O-N 3.01Å; Q44-R47 PolarHBondContact O-N 3.08Å; Q44-K48 WeakPolarHBondContact O-CG 3.14Å; Q44-K48 PolarHBondContact O-N 3.47Å; Q44-P166 HydrophobicContact CB-CB 4.4Å; Q44-P166 HydrophobicContact CB-CG 4.22Å; Q44-P166 HydrophobicContact CG-CB 4.39Å; Q44-P166 HydrophobicContact CG-CG 4.44Å
45L81.6Confident83.7Confident83 Ų8365.9 Ų65.944%0.43533%0.326SS..Hα-helixtrans-66.7-45.1176.6-177.260.3000110.9L38 S42 R47 K48 I49L38-L45 HydrophobicContact CD2-CD2 4.05Å; S42-L45 PolarHBondContact O-N 3.41Å; S42-L45 PolarHBondContact OG-N 3.42Å; L45-R47 VanDerWaalsContact C-N 3.32Å; L45-R47 PolarHBondContact O-N 3.25Å; L45-K48 PolarHBondContact O-N 2.93Å; L45-I49 HydrophobicContact CD1-CD1 4.19Å; L45-I49 HydrophobicContact CD1-CG1 4.41Å; L45-I49 HydrophobicContact CG-CD1 3.97Å; L45-I49 WeakPolarHBondContact O-CG1 3.3Å; L45-I49 PolarHBondContact O-N 3.42Å
46A83.2Confident83.9Confident0 Ų066.8 Ų66.80%033%0.333CS..Hα-helixtrans-58.4-43.2175.900000111.7L38 W39 S42 I49 N50L38-A46 HydrophobicContact CB-CB 4.48Å; W39-A46 HydrophobicContact CB-CB 4.46Å; W39-A46 HydrophobicContact CE3-CB 3.75Å; W39-A46 HydrophobicContact CZ3-CB 4.46Å; S42-A46 PolarHBondContact O-N 3.08Å; A46-I49 PolarHBondContact O-N 2.97Å; A46-N50 WeakPolarHBondContact O-CB 3.46Å; A46-N50 PolarHBondContact O-N 2.85Å; A46-N50 PolarHBondContact O-ND2 2.89Å; A46-N50 VanDerWaalsContact O-ND2 3.08Å
47R83.3Confident84.1Confident15 Ų1562.3 Ų62.36%0.05731%0.309CS..Hα-helixtrans-60-47174-76.5173.2172.7173.8-3112.4W39 K43 Q44 L45 I49 N50 I51 E140 D164 Y165 P166W39-R47 HydrophobicContact CH2-CG 4.22Å; W39-R47 HydrophobicContact CZ3-CG 3.89Å; K43-R47 WeakPolarHBondContact O-CB 3.5Å; K43-R47 VanDerWaalsContact O-CG 3.25Å; K43-R47 WeakPolarHBondContact O-CG 3.34Å; K43-R47 PolarHBondContact O-N 3.25Å; Q44-R47 PolarHBondContact O-N 3.08Å; L45-R47 VanDerWaalsContact C-N 3.32Å; L45-R47 PolarHBondContact O-N 3.25Å; R47-I49 PolarHBondContact O-N 3.07Å; R47-N50 PolarHBondContact O-N 2.69Å; R47-I51 VanDerWaalsContact O-CG1 3.25Å; R47-I51 WeakPolarHBondContact O-CG1 3.48Å; R47-I51 PolarHBondContact O-N 3.04Å; R47-E140 IonicContact CZ-OE2 2.75Å; R47-E140 VanDerWaalsContact CZ-OE2 3.32Å; R47-E140 IonicContact NE-OE2 3.22Å; R47-E140 PolarHBondContact NE-OE2 2.97Å; R47-E140 IonicContact NH2-OE1 3.52Å; R47-E140 PolarHBondContact NH2-OE1 3.47Å; R47-E140 IonicContact NH2-OE2 2.73Å; R47-E140 PolarHBondContact NH2-OE2 3.31Å; R47-D164 PolarHBondContact NH1-O 2.98Å; R47-Y165 HydrophobicContact CB-CE1 4.04Å; R47-Y165 HydrophobicContact CG-CE1 3.91Å; R47-Y165 HydrophobicContact CG-CE2 4.37Å; R47-Y165 VanDerWaalsContact NE-CE2 3.31Å; R47-P166 HydrophobicContact CB-CG 4.49Å
48K83.5Confident84.2Confident94 Ų9458.6 Ų58.641%0.40929%0.286SS..Hα-helixtrans-60.5-44.1178.1-75.3-179.8-178.9-178.80112Q44 L45 I51 R52 P166Q44-K48 WeakPolarHBondContact O-CG 3.14Å; Q44-K48 PolarHBondContact O-N 3.47Å; L45-K48 PolarHBondContact O-N 2.93Å; K48-I51 PolarHBondContact O-N 3.06Å; K48-R52 WeakPolarHBondContact O-CG 3.41Å; K48-R52 PolarHBondContact O-N 3.06Å; K48-P166 HydrophobicContact CG-CG 4.05Å
49I85.7Confident84.4Confident57 Ų5755.4 Ų55.429%0.29227%0.269SS..Hα-helixtrans-63.7-47177-66.2168.3000110T35 L38 L45 A46 R47 I51 R52 L53T35-I49 HydrophobicContact CG2-CG2 3.86Å; L38-I49 HydrophobicContact CD2-CD1 4.43Å; L45-I49 HydrophobicContact CD1-CD1 4.19Å; L45-I49 HydrophobicContact CD1-CG1 4.41Å; L45-I49 HydrophobicContact CG-CD1 3.97Å; L45-I49 WeakPolarHBondContact O-CG1 3.3Å; L45-I49 PolarHBondContact O-N 3.42Å; A46-I49 PolarHBondContact O-N 2.97Å; R47-I49 PolarHBondContact O-N 3.07Å; I49-I51 VanDerWaalsContact C-N 3.3Å; I49-I51 PolarHBondContact O-N 2.7Å; I49-R52 PolarHBondContact O-N 3.01Å; I49-L53 HydrophobicContact CG2-CD1 3.76Å; I49-L53 HydrophobicContact CG2-CG 4.14Å; I49-L53 WeakPolarHBondContact O-CG 3.3Å; I49-L53 PolarHBondContact O-N 2.81Å
50N85.6Confident84.9Confident4 Ų452.2 Ų52.22%0.02126%0.257CS..Hα-helixtrans-63.5-32.8-179.6-78.9-42000113.4Q32 T35 A46 R47 R52 L53 A54Q32-N50 WeakPolarHBondContact CG-OD1 3.42Å; T35-N50 PolarHBondContact OG1-ND2 2.86Å; T35-N50 VanDerWaalsContact OG1-ND2 3.13Å; T35-N50 PolarHBondContact OG1-OD1 2.99Å; A46-N50 WeakPolarHBondContact O-CB 3.46Å; A46-N50 PolarHBondContact O-N 2.85Å; A46-N50 PolarHBondContact O-ND2 2.89Å; A46-N50 VanDerWaalsContact O-ND2 3.08Å; R47-N50 PolarHBondContact O-N 2.69Å; N50-R52 VanDerWaalsContact C-N 3.35Å; N50-L53 PolarHBondContact O-N 3.45Å; N50-A54 VanDerWaalsContact O-CB 3.27Å; N50-A54 WeakPolarHBondContact O-CB 3.48Å; N50-A54 PolarHBondContact O-N 2.96Å
51I85.6Confident85.1Confident5 Ų546.2 Ų46.23%0.02623%0.225CC..Hα-helixtrans-60.4-43.7171-73.3167.3000111R47 K48 I49 Y55 G116 L139 Y165 E167R47-I51 VanDerWaalsContact O-CG1 3.25Å; R47-I51 WeakPolarHBondContact O-CG1 3.48Å; R47-I51 PolarHBondContact O-N 3.04Å; K48-I51 PolarHBondContact O-N 3.06Å; I49-I51 VanDerWaalsContact C-N 3.3Å; I49-I51 PolarHBondContact O-N 2.7Å; I51-Y55 PolarHBondContact O-N 2.76Å; I51-G116 WeakPolarHBondContact O-CA 3.37Å; I51-L139 HydrophobicContact CG1-CD2 4.25Å; I51-Y165 HydrophobicContact CD1-CD1 4.33Å; I51-Y165 HydrophobicContact CD1-CE1 4.3Å; I51-E167 HydrophobicContact CD1-CB 4.46Å; I51-E167 HydrophobicContact CD1-CG 4.22Å
52R87.8Confident85.3Confident161 Ų16140 Ų4061%0.60819%0.188SC*.Hα-helixtrans-71.2-39.4178.9-59.5-64169.8171.2-5.8112.2K48 I49 N50 Y55 C56 E167K48-R52 WeakPolarHBondContact O-CG 3.41Å; K48-R52 PolarHBondContact O-N 3.06Å; I49-R52 PolarHBondContact O-N 3.01Å; N50-R52 VanDerWaalsContact C-N 3.35Å; R52-Y55 WeakPolarHBondContact O-CB 3.4Å; R52-Y55 PolarHBondContact O-N 3.2Å; R52-C56 PolarHBondContact O-N 3.01Å; R52-C56 VanDerWaalsContact O-N 3.14Å; R52-C56 PolarHBondContact O-SG 3.39Å; R52-C56 VanDerWaalsContact O-SG 3.37Å; R52-E167 IonicContact NH2-OE1 3.25Å
53L86.9Confident85.5Confident23 Ų2338 Ų3812%0.1217%0.174CC..Hα-helixtrans-64.2-42.9174.7-67.7175.4000111.2V28 I31 Q32 T35 I49 N50 Y55 C56 I57V28-L53 HydrophobicContact CG1-CB 3.79Å; V28-L53 HydrophobicContact CG1-CD2 4.18Å; V28-L53 WeakPolarHBondContact CG1-O 3.34Å; I31-L53 HydrophobicContact CB-CD1 4.46Å; I31-L53 HydrophobicContact CG2-CD1 3.82Å; I31-L53 HydrophobicContact CG2-CD2 3.98Å; Q32-L53 HydrophobicContact CB-CD1 4.45Å; Q32-L53 HydrophobicContact CG-CB 3.89Å; Q32-L53 HydrophobicContact CG-CD1 3.57Å; Q32-L53 HydrophobicContact CG-CG 4.37Å; T35-L53 HydrophobicContact CG2-CD1 4.18Å; I49-L53 HydrophobicContact CG2-CD1 3.76Å; I49-L53 HydrophobicContact CG2-CG 4.14Å; I49-L53 WeakPolarHBondContact O-CG 3.3Å; I49-L53 PolarHBondContact O-N 2.81Å; N50-L53 PolarHBondContact O-N 3.45Å; L53-Y55 VanDerWaalsContact C-N 3.32Å; L53-Y55 PolarHBondContact O-N 2.9Å; L53-C56 WeakPolarHBondContact O-CB 3.22Å; L53-C56 PolarHBondContact O-N 2.78Å; L53-C56 VanDerWaalsContact O-N 3.11Å; L53-I57 PolarHBondContact O-N 2.94Å
54A86.6Confident85.8Confident2 Ų233.2 Ų33.22%0.01716%0.157CC..Hα-helixtrans-64.9-36.5175.100000112.6N50 C56 I57 A58 M135 L139N50-A54 VanDerWaalsContact O-CB 3.27Å; N50-A54 WeakPolarHBondContact O-CB 3.48Å; N50-A54 PolarHBondContact O-N 2.96Å; A54-C56 VanDerWaalsContact C-N 3.28Å; A54-C56 PolarHBondContact O-N 2.86Å; A54-I57 PolarHBondContact O-N 3.26Å; A54-A58 WeakPolarHBondContact O-CB 3.4Å; A54-A58 PolarHBondContact O-N 2.95Å; A54-M135 HydrophobicContact CB-CG 3.61Å; A54-M135 HydrophobicContact CB-SD 3.91Å; A54-L139 HydrophobicContact CB-CD1 3.48Å; A54-L139 VanDerWaalsContact CB-CD1 3.48Å; A54-L139 HydrophobicContact CB-CD2 3.7Å; A54-L139 HydrophobicContact CB-CG 3.7Å
55Y88.7Confident86Confident49 Ų4927.9 Ų27.919%0.19213%0.132CC..Hα-helixtrans-55.3-44.1170.5175.8-86.3000111.3I51 R52 L53 I57 A58 S59 E110 L115 W307I51-Y55 PolarHBondContact O-N 2.76Å; R52-Y55 WeakPolarHBondContact O-CB 3.4Å; R52-Y55 PolarHBondContact O-N 3.2Å; L53-Y55 VanDerWaalsContact C-N 3.32Å; L53-Y55 PolarHBondContact O-N 2.9Å; Y55-I57 PolarHBondContact O-N 3.4Å; Y55-A58 PolarHBondContact O-N 3.29Å; Y55-S59 WeakPolarHBondContact O-CB 3.38Å; Y55-S59 PolarHBondContact O-N 3.14Å; Y55-S59 PolarHBondContact O-OG 3.35Å; Y55-E110 WeakPolarHBondContact CE2-OE2 3.38Å; Y55-E110 PolarHBondContact OH-OE1 3.43Å; Y55-L115 HydrophobicContact CD2-CB 4.08Å; Y55-L115 HydrophobicContact CD2-CD2 4.22Å; Y55-L115 HydrophobicContact CD2-CG 4.44Å; Y55-L115 HydrophobicContact CE2-CB 4.37Å; Y55-L115 HydrophobicContact CE2-CD2 4.33Å; Y55-W307 WeakPolarHBondContact OH-CB 3.37Å
56C87.7Confident86.1Confident27 Ų2723.9 Ų23.918%0.18211%0.112CC..Hα-helixtrans-59.3-30.7179.5-66.10000113.8V28 R52 L53 A54 Q60 N311V28-C56 HydrophobicContact CG2-CB 4.32Å; R52-C56 PolarHBondContact O-N 3.01Å; R52-C56 VanDerWaalsContact O-N 3.14Å; R52-C56 PolarHBondContact O-SG 3.39Å; R52-C56 VanDerWaalsContact O-SG 3.37Å; L53-C56 WeakPolarHBondContact O-CB 3.22Å; L53-C56 PolarHBondContact O-N 2.78Å; L53-C56 VanDerWaalsContact O-N 3.11Å; A54-C56 VanDerWaalsContact C-N 3.28Å; A54-C56 PolarHBondContact O-N 2.86Å; C56-Q60 WeakPolarHBondContact O-CG 2.59Å; C56-Q60 PolarHBondContact O-NE2 2.73Å; C56-N311 WeakPolarHBondContact CA-ND2 3.47Å; C56-N311 PolarHBondContact O-ND2 3.46Å
57I87.6Confident86.2Confident0 Ų028.3 Ų28.30%013%0.128CC..Hα-helixtrans-84-51177-61.8172000110F21 V28 L53 A54 Y55 S59 Q60 V131 I132 M135F21-I57 HydrophobicContact CE2-CG2 3.98Å; F21-I57 HydrophobicContact CZ-CG2 4.33Å; V28-I57 HydrophobicContact CB-CD1 3.98Å; V28-I57 HydrophobicContact CB-CG1 4.04Å; V28-I57 HydrophobicContact CG1-CD1 3.64Å; V28-I57 HydrophobicContact CG1-CG1 3.84Å; V28-I57 HydrophobicContact CG2-CG1 4.44Å; L53-I57 PolarHBondContact O-N 2.94Å; A54-I57 PolarHBondContact O-N 3.26Å; Y55-I57 PolarHBondContact O-N 3.4Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 3.28Å; I57-Q60 PolarHBondContact O-N 2.6Å; I57-V131 HydrophobicContact CD1-CG1 4.34Å; I57-V131 HydrophobicContact CG2-CG1 3.84Å; I57-I132 HydrophobicContact CG2-CD1 3.74Å; I57-M135 HydrophobicContact CB-SD 3.6Å; I57-M135 VanDerWaalsContact CB-SD 3.6Å; I57-M135 HydrophobicContact CD1-CB 3.97Å; I57-M135 HydrophobicContact CD1-CG 4.11Å; I57-M135 HydrophobicContact CD1-SD 4.11Å; I57-M135 HydrophobicContact CG1-SD 4.41Å; I57-M135 HydrophobicContact CG2-SD 3.71Å
58A86.8Confident86.1Confident4 Ų430 Ų303%0.03314%0.135CC..Hα-helixtrans-64.1-36.3-176.100000112.6A54 Y55 Q60 M61 V62 W106 L115A54-A58 WeakPolarHBondContact O-CB 3.4Å; A54-A58 PolarHBondContact O-N 2.95Å; Y55-A58 PolarHBondContact O-N 3.29Å; A58-Q60 PolarHBondContact O-N 3.47Å; A58-M61 PolarHBondContact O-N 2.93Å; A58-M61 VanDerWaalsContact O-N 3.17Å; A58-V62 PolarHBondContact O-N 3.36Å; A58-V62 VanDerWaalsContact O-N 3.16Å; A58-W106 HydrophobicContact CB-CE3 4.41Å; A58-W106 HydrophobicContact CB-CZ3 4.42Å; A58-L115 HydrophobicContact CB-CD1 4.1Å; A58-L115 HydrophobicContact CB-CD2 3.86Å; A58-L115 HydrophobicContact CB-CG 3.92Å
59S88.3Confident86.1Confident0 Ų025.7 Ų25.70%012%0.117CC..Hα-helixtrans-65.6-26.9-17988.80000112.4Y55 I57 M61 V62 A63 N311Y55-S59 WeakPolarHBondContact O-CB 3.38Å; Y55-S59 PolarHBondContact O-N 3.14Å; Y55-S59 PolarHBondContact O-OG 3.35Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 3.28Å; S59-M61 VanDerWaalsContact C-N 3.35Å; S59-V62 PolarHBondContact O-N 3.13Å; S59-A63 WeakPolarHBondContact O-CB 3.4Å; S59-A63 PolarHBondContact O-N 3.11Å; S59-N311 PolarHBondContact OG-ND2 2.98Å
60Q87.8Confident85.8Confident6 Ų623.9 Ų23.93%0.02811%0.112CC..Hα-helixtrans-67.9-37.8176.5-67-179.254.100111.2F21 S24 C56 I57 A58 A63 A64F21-Q60 HydrophobicContact CD2-CB 4.17Å; S24-Q60 PolarHBondContact OG-NE2 3.29Å; S24-Q60 PolarHBondContact OG-OE1 3.03Å; C56-Q60 WeakPolarHBondContact O-CG 2.59Å; C56-Q60 PolarHBondContact O-NE2 2.73Å; I57-Q60 PolarHBondContact O-N 2.6Å; A58-Q60 PolarHBondContact O-N 3.47Å; Q60-A63 PolarHBondContact O-N 2.81Å; Q60-A64 PolarHBondContact O-N 3.42Å
61M85.4Confident85.6Confident28 Ų2823.7 Ų23.714%0.13811%0.111CC..Hα-helixtrans-69-41.2175-61.9-175.563.800111.1F21 A58 S59 A63 A64 L65 F102 L103 W106 I132F21-M61 HydrophobicContact CD2-CG 4.38Å; F21-M61 HydrophobicContact CE2-CG 3.66Å; F21-M61 HydrophobicContact CE2-SD 4.07Å; F21-M61 HydrophobicContact CZ-CG 4.15Å; F21-M61 HydrophobicContact CZ-SD 3.99Å; A58-M61 PolarHBondContact O-N 2.93Å; A58-M61 VanDerWaalsContact O-N 3.17Å; S59-M61 VanDerWaalsContact C-N 3.35Å; M61-A63 VanDerWaalsContact C-N 3.27Å; M61-A63 PolarHBondContact O-N 3.4Å; M61-A64 WeakPolarHBondContact O-CB 3.45Å; M61-A64 PolarHBondContact O-N 3.02Å; M61-L65 PolarHBondContact O-N 3.25Å; M61-L65 VanDerWaalsContact O-N 3.11Å; M61-F102 HydrophobicContact CE-CE2 3.84Å; M61-F102 HydrophobicContact CE-CZ 4.13Å; M61-L103 HydrophobicContact CB-CD1 3.63Å; M61-L103 HydrophobicContact CE-CD1 4.48Å; M61-W106 HydrophobicContact CE-CZ3 4.23Å; M61-W106 HydrophobicContact SD-CH2 4.48Å; M61-W106 HydrophobicContact SD-CZ3 3.69Å; M61-I132 HydrophobicContact SD-CD1 3.84Å; M61-I132 HydrophobicContact SD-CG1 4.49Å
62V86.5Confident85.3Confident0 Ų027.1 Ų27.10%013%0.127CC..Hα-helixtrans-61.8-38.8173.2176.30000110.6A58 S59 A64 L65 E66 L103 W106 E110 L115A58-V62 PolarHBondContact O-N 3.36Å; A58-V62 VanDerWaalsContact O-N 3.16Å; S59-V62 PolarHBondContact O-N 3.13Å; V62-A64 PolarHBondContact O-N 3Å; V62-L65 PolarHBondContact O-N 2.73Å; V62-E66 HydrophobicContact CG1-CG 4.33Å; V62-E66 PolarHBondContact O-N 3.35Å; V62-L103 HydrophobicContact CG2-CD1 4.5Å; V62-W106 HydrophobicContact CG2-CB 3.91Å; V62-E110 HydrophobicContact CG1-CB 4.08Å; V62-E110 HydrophobicContact CG1-CG 4.12Å; V62-L115 HydrophobicContact CG2-CD1 4.5Å; V62-L115 HydrophobicContact CG2-CD2 3.98Å
63A87.1Confident85Confident4 Ų419.6 Ų19.63%0.03310%0.099CC..Hα-helixtrans-63.5-41176.600000112.4S59 Q60 M61 L65 W67 W68 W312S59-A63 WeakPolarHBondContact O-CB 3.4Å; S59-A63 PolarHBondContact O-N 3.11Å; Q60-A63 PolarHBondContact O-N 2.81Å; M61-A63 VanDerWaalsContact C-N 3.27Å; M61-A63 PolarHBondContact O-N 3.4Å; A63-L65 VanDerWaalsContact C-N 3.29Å; A63-L65 PolarHBondContact O-N 2.79Å; A63-W67 WeakPolarHBondContact O-CA 3.46Å; A63-W67 WeakPolarHBondContact O-CB 3.41Å; A63-W67 PolarHBondContact O-N 3.35Å; A63-W68 PolarHBondContact O-N 3.39Å; A63-W312 HydrophobicContact CB-CB 4.16Å
64A85.9Confident84.8Confident23 Ų2319.1 Ų19.119%0.1910%0.097CC..Iπ-helixtrans-61.4-37.117400000112.3Q60 M61 V62 W68 S69 I244Q60-A64 PolarHBondContact O-N 3.42Å; M61-A64 WeakPolarHBondContact O-CB 3.45Å; M61-A64 PolarHBondContact O-N 3.02Å; V62-A64 PolarHBondContact O-N 3Å; A64-W68 WeakPolarHBondContact O-CB 3.36Å; A64-S69 PolarHBondContact O-N 3.09Å; A64-I244 WeakPolarHBondContact O-CG2 3.45Å
65L84.7Confident84.6Confident0 Ų019.1 Ų19.10%010%0.097CC..Iπ-helixtrans-72.5-55.5177.6-173.566.8000112.5M61 V62 A63 S69 G70 T71 I100 L103 T107 I244M61-L65 PolarHBondContact O-N 3.25Å; M61-L65 VanDerWaalsContact O-N 3.11Å; V62-L65 PolarHBondContact O-N 2.73Å; A63-L65 VanDerWaalsContact C-N 3.29Å; A63-L65 PolarHBondContact O-N 2.79Å; L65-S69 WeakPolarHBondContact O-CB 3.36Å; L65-G70 PolarHBondContact O-N 3.28Å; L65-T71 HydrophobicContact CD1-CG2 3.84Å; L65-T71 HydrophobicContact CG-CG2 4.12Å; L65-T71 WeakPolarHBondContact O-CB 3.25Å; L65-T71 PolarHBondContact O-N 2.79Å; L65-T71 VanDerWaalsContact O-N 3.13Å; L65-I100 HydrophobicContact CD1-CD1 4.37Å; L65-L103 HydrophobicContact CB-CD2 3.88Å; L65-L103 HydrophobicContact CB-CG 4.11Å; L65-L103 HydrophobicContact CD1-CD2 4.22Å; L65-L103 HydrophobicContact CD2-CB 4.35Å; L65-L103 HydrophobicContact CD2-CD2 4.14Å; L65-L103 HydrophobicContact CD2-CG 3.75Å; L65-L103 HydrophobicContact CG-CD2 4.3Å; L65-L103 HydrophobicContact CG-CG 4.4Å; L65-T107 WeakPolarHBondContact CD2-OG1 3.48Å; L65-I244 HydrophobicContact CD1-CD1 3.47Å; L65-I244 VanDerWaalsContact CD1-CD1 3.47Å; L65-I244 HydrophobicContact CD1-CG1 3.84Å; L65-I244 HydrophobicContact CD1-CG2 4.45Å
66E83.8Confident84.2Confident0 Ų016.9 Ų16.90%09%0.088CC..Iπ-helixtrans-79.9-40.2-170.9-70.3-160.9126.300113.6V62 G70 T107 R111V62-E66 HydrophobicContact CG1-CG 4.33Å; V62-E66 PolarHBondContact O-N 3.35Å; E66-G70 WeakPolarHBondContact O-CA 3.08Å; E66-T107 HydrophobicContact CG-CG2 3.71Å; E66-T107 WeakPolarHBondContact OE1-CG2 3.43Å; E66-R111 IonicContact OE1-CZ 2.86Å; E66-R111 VanDerWaalsContact OE1-CZ 3.3Å; E66-R111 IonicContact OE1-NE 3.26Å; E66-R111 PolarHBondContact OE1-NE 3.01Å; E66-R111 IonicContact OE1-NH2 2.73Å; E66-R111 PolarHBondContact OE1-NH2 3.37Å
67W84.3Confident83.9Confident93 Ų9315.7 Ų15.735%0.3528%0.08SC..Iπ-helixtrans-99-41.7-172.1-62.595.5000112.4A63 R304 S308 L309A63-W67 WeakPolarHBondContact O-CA 3.46Å; A63-W67 WeakPolarHBondContact O-CB 3.41Å; A63-W67 PolarHBondContact O-N 3.35Å; W67-R304 HydrophobicContact CZ2-CB 4.11Å; W67-S308 PolarHBondContact NE1-OG 3.06Å; W67-L309 HydrophobicContact CB-CD1 4.36Å; W67-L309 HydrophobicContact CD2-CB 4.16Å; W67-L309 HydrophobicContact CD2-CD2 4.03Å; W67-L309 HydrophobicContact CD2-CG 4.49Å; W67-L309 HydrophobicContact CE3-CD2 3.9Å; W67-L309 HydrophobicContact CG-CB 4.26Å; W67-L309 HydrophobicContact CG-CD1 4.31Å; W67-L309 HydrophobicContact CH2-CD2 4.42Å; W67-L309 HydrophobicContact CZ2-CB 4.45Å; W67-L309 HydrophobicContact CZ3-CD2 4.1Å
68W82.8Confident83.5Confident50 Ų5019.6 Ų19.619%0.18910%0.101CC..Iπ-helixtrans-79.4-56.6-179.8177.8-93.9000112.6K8 C13 M17 A63 A64 G70 L245K8-W68 HydrophobicContact CB-CH2 4.32Å; K8-W68 HydrophobicContact CB-CZ2 3.72Å; K8-W68 WeakPolarHBondContact CE-O 3.19Å; K8-W68 HydrophobicContact CG-CD2 4.4Å; K8-W68 HydrophobicContact CG-CH2 3.81Å; K8-W68 HydrophobicContact CG-CZ2 3.58Å; K8-W68 HydrophobicContact CG-CZ3 4.31Å; K8-W68 PolarHBondContact NZ-O 3.03Å; C13-W68 HydrophobicContact CB-CH2 3.87Å; C13-W68 HydrophobicContact CB-CZ2 4.15Å; M17-W68 HydrophobicContact CE-CD2 4.04Å; M17-W68 VanDerWaalsContact CE-CE2 3.41Å; M17-W68 HydrophobicContact CE-CG 4.5Å; M17-W68 HydrophobicContact CE-CH2 4.17Å; M17-W68 HydrophobicContact CE-CZ2 3.47Å; M17-W68 VanDerWaalsContact CE-CZ2 3.47Å; M17-W68 HydrophobicContact SD-CD2 3.58Å; M17-W68 VanDerWaalsContact SD-CD2 3.58Å; M17-W68 HydrophobicContact SD-CE3 3.91Å; M17-W68 HydrophobicContact SD-CG 3.95Å; M17-W68 HydrophobicContact SD-CH2 4.28Å; M17-W68 HydrophobicContact SD-CZ2 3.98Å; M17-W68 HydrophobicContact SD-CZ3 4.25Å; A63-W68 PolarHBondContact O-N 3.39Å; A64-W68 WeakPolarHBondContact O-CB 3.36Å; W68-G70 VanDerWaalsContact C-N 3.29Å; W68-G70 PolarHBondContact O-N 2.84Å; W68-L245 PolarHBondContact NE1-O 3.44Å
69S82.2Confident82.8Confident4 Ų423 Ų233%0.02812%0.122CC..SBendtrans-72.3-24.8176155.90000112.4A64 L65 T71 K248 K249A64-S69 PolarHBondContact O-N 3.09Å; L65-S69 WeakPolarHBondContact O-CB 3.36Å; S69-T71 PolarHBondContact O-N 3.37Å; S69-T71 PolarHBondContact OG-OG1 2.87Å; S69-K248 PolarHBondContact OG-O 2.9Å; S69-K249 WeakPolarHBondContact O-CA 3.38Å
70G79.9Confident82.1Confident19 Ų1931 Ų3120%0.19616%0.157CC..  trans70.619.4-176.400000112.7L65 E66 W68 E72 K249L65-G70 PolarHBondContact O-N 3.28Å; E66-G70 WeakPolarHBondContact O-CA 3.08Å; W68-G70 VanDerWaalsContact C-N 3.29Å; W68-G70 PolarHBondContact O-N 2.84Å; G70-E72 PolarHBondContact O-N 3.24Å; G70-K249 VanDerWaalsContact O-CE 3.24Å; G70-K249 WeakPolarHBondContact O-CE 3.15Å; G70-K249 WeakPolarHBondContact O-CG 3.26Å
71T81Confident81.4Confident0 Ų031.5 Ų31.50%016%0.161CC..  trans-60.2132.4-178.3-74.70000110.1L65 S69 Y250L65-T71 HydrophobicContact CD1-CG2 3.84Å; L65-T71 HydrophobicContact CG-CG2 4.12Å; L65-T71 WeakPolarHBondContact O-CB 3.25Å; L65-T71 PolarHBondContact O-N 2.79Å; L65-T71 VanDerWaalsContact O-N 3.13Å; S69-T71 PolarHBondContact O-N 3.37Å; S69-T71 PolarHBondContact OG-OG1 2.87Å; T71-Y250 VanDerWaalsContact CA-O 3.3Å; T71-Y250 WeakPolarHBondContact CA-O 3.48Å; T71-Y250 WeakPolarHBondContact CG2-O 2.94Å; T71-Y250 PolarHBondContact OG1-N 3.46Å; T71-Y250 VanDerWaalsContact OG1-N 3.16Å
72E80.5Confident80.7Confident77 Ų7733.4 Ų33.436%0.3617%0.168SC..EExtended strand (participates in β ladder)trans-98119178-76.7174.3-164.700109.7G70 K249 Y250 H251 A252G70-E72 PolarHBondContact O-N 3.24Å; E72-K249 WeakPolarHBondContact OE1-CE 3.35Å; E72-K249 IonicContact OE1-NZ 2.7Å; E72-K249 PolarHBondContact OE1-NZ 3.29Å; E72-K249 IonicContact OE2-NZ 3.69Å; E72-Y250 PolarHBondContact N-O 3.21Å; E72-H251 WeakPolarHBondContact O-CA 3.11Å; E72-H251 IonicContact OE2-CD2 3.53Å; E72-H251 IonicContact OE2-NE2 3.77Å; E72-A252 PolarHBondContact O-N 3.19Å
73C80.3Confident80.1Confident2 Ų236.8 Ų36.81%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-100.3110.9171-57.40000109.6T107 F108 R111 A252C73-T107 HydrophobicContact CB-CG2 4.35Å; C73-F108 HydrophobicContact CB-CE1 4.26Å; C73-F108 HydrophobicContact CB-CE2 4.2Å; C73-F108 HydrophobicContact CB-CZ 3.72Å; C73-R111 PolarHBondContact O-NH1 2.6Å; C73-R111 VanDerWaalsContact O-NH1 3.15Å; C73-R111 PolarHBondContact O-NH2 3.13Å; C73-A252 CarbonylContact C-O 3.53Å; C73-A252 VanDerWaalsContact CA-O 3.3Å; C73-A252 WeakPolarHBondContact CA-O 3.48Å
74T82.4Confident79.4Confident14 Ų1439.7 Ų39.79%0.08620%0.204CC..EExtended strand (participates in β ladder)trans-92.4132.6174.7-42.20000109.1Y76 A252 D253 L254 I299T74-Y76 HydrophobicContact CG2-CD2 4.27Å; T74-Y76 HydrophobicContact CG2-CE2 3.71Å; T74-A252 PolarHBondContact N-O 3.29Å; T74-D253 WeakPolarHBondContact CB-OD1 3.36Å; T74-D253 PolarHBondContact OG1-OD1 3.2Å; T74-L254 PolarHBondContact O-N 3.16Å; T74-I299 HydrophobicContact CG2-CB 4.41Å; T74-I299 HydrophobicContact CG2-CG1 4.26Å; T74-I299 HydrophobicContact CG2-CG2 3.43Å; T74-I299 VanDerWaalsContact CG2-CG2 3.43Å
75L82.9Confident78.7Confident2 Ų239.1 Ų39.11%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-107.7127.6173.9170.272.5000110T77 Y82 F108 F112 L254 V256 V300 P302L75-T77 HydrophobicContact CD2-CG2 3.96Å; L75-T77 HydrophobicContact CG-CG2 3.98Å; L75-Y82 HydrophobicContact CD2-CD2 4.37Å; L75-Y82 HydrophobicContact CD2-CE2 4.33Å; L75-F108 HydrophobicContact CB-CD1 4.46Å; L75-F108 HydrophobicContact CB-CE1 3.71Å; L75-F108 HydrophobicContact CB-CZ 4.34Å; L75-F108 HydrophobicContact CD1-CE1 4.42Å; L75-F112 HydrophobicContact CD2-CE2 4.43Å; L75-F112 HydrophobicContact CD2-CZ 4.15Å; L75-L254 CarbonylContact C-O 3.55Å; L75-L254 WeakPolarHBondContact CA-O 3.47Å; L75-L254 HydrophobicContact CD1-CD2 4.28Å; L75-V256 HydrophobicContact CD1-CB 3.89Å; L75-V256 HydrophobicContact CD1-CG2 3.38Å; L75-V300 VanDerWaalsContact CB-O 3.28Å; L75-V300 WeakPolarHBondContact CB-O 3.47Å; L75-V300 PolarHBondContact O-N 3.42Å; L75-V300 VanDerWaalsContact O-O 3.08Å; L75-P302 HydrophobicContact CD2-CG 4.46Å
76Y81.3Confident77.9Confident2 Ų239.6 Ų39.61%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-106.5113.9171.6-63.2-103.7000107.3T74 R234 D253 L254 Y255 V256 F295 I299T74-Y76 HydrophobicContact CG2-CD2 4.27Å; T74-Y76 HydrophobicContact CG2-CE2 3.71Å; Y76-R234 PolarHBondContact OH-NH2 3.17Å; Y76-D253 HydrophobicContact CD2-CB 4.38Å; Y76-D253 HydrophobicContact CE2-CB 3.67Å; Y76-D253 VanDerWaalsContact CE2-CG 3.49Å; Y76-D253 WeakPolarHBondContact CE2-OD2 3.07Å; Y76-D253 PolarHBondContact OH-OD2 3.48Å; Y76-L254 PolarHBondContact N-O 3.32Å; Y76-Y255 WeakPolarHBondContact O-CA 3.39Å; Y76-V256 PolarHBondContact O-N 3Å; Y76-F295 HydrophobicContact CD1-CB 3.98Å; Y76-F295 WeakPolarHBondContact CD1-O 3.28Å; Y76-F295 HydrophobicContact CD2-CB 4.12Å; Y76-F295 HydrophobicContact CD2-CD2 4.19Å; Y76-F295 HydrophobicContact CE1-CB 4.37Å; Y76-F295 HydrophobicContact CE2-CD2 4.36Å; Y76-F295 HydrophobicContact CG-CB 3.83Å; Y76-I299 HydrophobicContact CD1-CG1 3.85Å; Y76-I299 HydrophobicContact CE1-CD1 3.96Å; Y76-I299 HydrophobicContact CE1-CG1 3.42Å; Y76-I299 VanDerWaalsContact CE1-CG1 3.42Å
77T81Confident77.5Confident2 Ų246.7 Ų46.71%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-158.3158.2-176.7-159.90000111.2L75 P79 Y82 Y85 V256 P298 V300L75-T77 HydrophobicContact CD2-CG2 3.96Å; L75-T77 HydrophobicContact CG-CG2 3.98Å; T77-P79 WeakPolarHBondContact O-CD 3.29Å; T77-Y82 HydrophobicContact CG2-CD2 4.27Å; T77-Y85 HydrophobicContact CG2-CE2 3.86Å; T77-Y85 WeakPolarHBondContact OG1-CE2 3.43Å; T77-Y85 PolarHBondContact OG1-OH 3.39Å; T77-V256 PolarHBondContact OG1-O 3.25Å; T77-P298 PolarHBondContact N-O 3.38Å; T77-P298 WeakPolarHBondContact O-CG 3.17Å; T77-V300 HydrophobicContact CG2-CG2 4.42Å
78D78.2Confident77.2Confident81 Ų8143.3 Ų43.343%0.43322%0.221SC..  trans-66.1125.9172.4-176.9-5.6000109.9K80 S81 Y82D78-K80 PolarHBondContact O-N 3Å; D78-K80 PolarHBondContact OD1-N 2.73Å; D78-S81 PolarHBondContact O-N 2.82Å; D78-Y82 PolarHBondContact O-N 3.44Å
79P73.4Confident77Confident75 Ų7541.7 Ų41.749%0.48722%0.216SC..THydrogen-bonded Turntrans-53.2-28.3176.9-27.936.1000113.7T77 S81 Y82 P83 P298T77-P79 WeakPolarHBondContact O-CD 3.29Å; P79-S81 VanDerWaalsContact C-N 3.31Å; P79-S81 PolarHBondContact O-N 3.36Å; P79-Y82 WeakPolarHBondContact O-CB 3.41Å; P79-Y82 PolarHBondContact O-N 3.44Å; P79-P83 VanDerWaalsContact O-CD 3.3Å; P79-P83 WeakPolarHBondContact O-CD 3.44Å; P79-P298 HydrophobicContact CG-CG 3.73Å
80K73.3Confident76.9Confident169 Ų16941.5 Ų41.574%0.73522%0.215SC*.THydrogen-bonded Turntrans-67.7-30.7176.9-64.6-178.8-179.6178.10113.2D78 P83D78-K80 PolarHBondContact O-N 3Å; D78-K80 PolarHBondContact OD1-N 2.73Å; K80-P83 WeakPolarHBondContact O-CD 3.35Å
81S72Confident77Confident17 Ų1740.6 Ų40.612%0.11921%0.206CC..THydrogen-bonded Turntrans-86.5-22.9-179.6-62.10000112.5D78 P79 L84 Y85D78-S81 PolarHBondContact O-N 2.82Å; P79-S81 VanDerWaalsContact C-N 3.31Å; P79-S81 PolarHBondContact O-N 3.36Å; S81-L84 WeakPolarHBondContact O-CB 3.43Å; S81-L84 PolarHBondContact O-N 2.9Å; S81-L84 VanDerWaalsContact O-N 3.08Å; S81-Y85 VanDerWaalsContact CB-OH 3.3Å; S81-Y85 WeakPolarHBondContact CB-OH 3.11Å
82Y71.8Confident77Confident68 Ų6841.5 Ų41.527%0.26721%0.211SC..G310 helixtrans-50.4-47.9179.9-171.4-96.6000115.7L75 T77 D78 P79 L84 Y85 F112 V300 P302L75-Y82 HydrophobicContact CD2-CD2 4.37Å; L75-Y82 HydrophobicContact CD2-CE2 4.33Å; T77-Y82 HydrophobicContact CG2-CD2 4.27Å; D78-Y82 PolarHBondContact O-N 3.44Å; P79-Y82 WeakPolarHBondContact O-CB 3.41Å; P79-Y82 PolarHBondContact O-N 3.44Å; Y82-L84 PolarHBondContact O-N 3.17Å; Y82-Y85 HydrophobicContact CD2-CD2 4.35Å; Y82-Y85 WeakPolarHBondContact O-CB 3.49Å; Y82-Y85 PolarHBondContact O-N 2.91Å; Y82-F112 HydrophobicContact CD2-CE1 4.4Å; Y82-F112 HydrophobicContact CD2-CZ 4.27Å; Y82-F112 AromaticContact CE2-CE1 3.98Å; Y82-F112 HydrophobicContact CE2-CE1 3.98Å; Y82-F112 AromaticContact CE2-CZ 3.88Å; Y82-F112 HydrophobicContact CE2-CZ 3.88Å; Y82-V300 HydrophobicContact CD2-CB 4.29Å; Y82-V300 HydrophobicContact CD2-CG1 3.63Å; Y82-V300 HydrophobicContact CE2-CB 4.27Å; Y82-V300 HydrophobicContact CE2-CG1 3.32Å; Y82-V300 HydrophobicContact CG-CG1 4.33Å; Y82-P302 WeakPolarHBondContact OH-CB 3.32Å
83P72.9Confident77.1Confident70 Ų7037.8 Ų37.846%0.45519%0.194SC..G310 helixtrans-70.5-15-178.828.3-36.3000114P79 K80P79-P83 VanDerWaalsContact O-CD 3.3Å; P79-P83 WeakPolarHBondContact O-CD 3.44Å; K80-P83 WeakPolarHBondContact O-CD 3.35Å
84L72.4Confident77.2Confident65 Ų6537.9 Ų37.934%0.3419%0.194SC..G310 helixtrans-82.4-24178.1-57.2174.3000111.4S81 Y82 G86 K87S81-L84 WeakPolarHBondContact O-CB 3.43Å; S81-L84 PolarHBondContact O-N 2.9Å; S81-L84 VanDerWaalsContact O-N 3.08Å; Y82-L84 PolarHBondContact O-N 3.17Å; L84-G86 PolarHBondContact O-N 3.17Å; L84-G86 VanDerWaalsContact O-N 3.07Å; L84-K87 PolarHBondContact O-N 2.8Å
85Y72.6Confident77.1Confident11 Ų1137.2 Ų37.24%0.04319%0.19CC..THydrogen-bonded Turntrans-64112179.5-60.4-33.7000111.2T77 S81 Y82 F112 Y227 V256T77-Y85 HydrophobicContact CG2-CE2 3.86Å; T77-Y85 WeakPolarHBondContact OG1-CE2 3.43Å; T77-Y85 PolarHBondContact OG1-OH 3.39Å; S81-Y85 VanDerWaalsContact CB-OH 3.3Å; S81-Y85 WeakPolarHBondContact CB-OH 3.11Å; Y82-Y85 HydrophobicContact CD2-CD2 4.35Å; Y82-Y85 WeakPolarHBondContact O-CB 3.49Å; Y82-Y85 PolarHBondContact O-N 2.91Å; Y85-F112 HydrophobicContact CD2-CE1 4.29Å; Y85-F112 HydrophobicContact CD2-CE2 4.33Å; Y85-F112 AromaticContact CD2-CZ 3.8Å; Y85-F112 HydrophobicContact CD2-CZ 3.8Å; Y85-F112 HydrophobicContact CG-CE1 4.41Å; Y85-F112 HydrophobicContact CG-CE2 4.44Å; Y85-F112 HydrophobicContact CG-CZ 4.14Å; Y85-F112 WeakPolarHBondContact O-CD1 3.39Å; Y85-Y227 HydrophobicContact CD1-CD1 4.34Å; Y85-Y227 HydrophobicContact CD1-CD2 4.37Å; Y85-Y227 AromaticContact CD1-CE1 3.75Å; Y85-Y227 HydrophobicContact CD1-CE1 3.75Å; Y85-Y227 AromaticContact CD1-CE2 3.75Å; Y85-Y227 HydrophobicContact CD1-CE2 3.75Å; Y85-Y227 AromaticContact CD1-CZ 3.41Å; Y85-Y227 VanDerWaalsContact CD1-CZ 3.41Å; Y85-Y227 WeakPolarHBondContact CD1-OH 3.09Å; Y85-Y227 AromaticContact CE1-CD1 3.79Å; Y85-Y227 HydrophobicContact CE1-CD1 3.79Å; Y85-Y227 HydrophobicContact CE1-CD2 4.47Å; Y85-Y227 AromaticContact CE1-CE1 3.47Å; Y85-Y227 HydrophobicContact CE1-CE1 3.47Å; Y85-Y227 VanDerWaalsContact CE1-CE1 3.47Å; Y85-Y227 HydrophobicContact CE1-CE2 4.17Å; Y85-Y227 HydrophobicContact CE1-CG 4.3Å; Y85-Y227 AromaticContact CE1-CZ 3.68Å; Y85-V256 HydrophobicContact CE1-CG1 4.21Å
86G67.8Low76.6Confident11 Ų1138.4 Ų38.411%0.11320%0.195CC..THydrogen-bonded Turntrans94.21.3-177.300000114.9L84 Y169L84-G86 PolarHBondContact O-N 3.17Å; L84-G86 VanDerWaalsContact O-N 3.07Å; G86-Y169 WeakPolarHBondContact O-CD1 3.44Å; G86-Y169 VanDerWaalsContact O-CG 3.25Å
87K74.6Confident75.8Confident148 Ų14839.2 Ų39.264%0.64320%0.201SC*.THydrogen-bonded Turntrans-115.26.5174.3-64.7-172.6-175.9175.90113.7L84 Y169L84-K87 PolarHBondContact O-N 2.8Å; K87-Y169 HydrophobicContact CB-CE1 4.33Å; K87-Y169 WeakPolarHBondContact O-CD1 3.38Å; K87-Y169 WeakPolarHBondContact O-CE1 3.32Å
88E78.1Confident75.3Confident22 Ų2240.4 Ų40.410%0.10321%0.206CC..SBendtrans-143.2153.4173.866-172.7169.900110.8A224 Y227 R258E88-A224 HydrophobicContact CB-CB 3.96Å; E88-A224 HydrophobicContact CG-CB 4.38Å; E88-A224 WeakPolarHBondContact OE2-CB 3.47Å; E88-Y227 VanDerWaalsContact CD-OH 3.23Å; E88-Y227 WeakPolarHBondContact CG-OH 3.42Å; E88-Y227 WeakPolarHBondContact OE1-CE1 3.44Å; E88-Y227 PolarHBondContact OE1-OH 2.89Å; E88-R258 IonicContact OE1-CZ 3.55Å; E88-R258 IonicContact OE1-NE 3.52Å; E88-R258 PolarHBondContact OE1-NE 3.3Å; E88-R258 IonicContact OE1-NH2 2.73Å; E88-R258 IonicContact OE2-CZ 3.31Å; E88-R258 IonicContact OE2-NE 3.57Å; E88-R258 IonicContact OE2-NH2 2.81Å; E88-R258 PolarHBondContact OE2-NH2 3.46Å
89N78.3Confident74.7Confident17 Ų1737.3 Ų37.39%0.09119%0.189CC..  trans-72.2131.4168.4-68.7-36.9000109.2N168 Y169 W170 T222 A223 A224N89-N168 VanDerWaalsContact CG-O 3.26Å; N89-N168 PolarHBondContact N-O 3.44Å; N89-N168 PolarHBondContact OD1-O 3.09Å; N89-Y169 WeakPolarHBondContact OD1-CA 3.24Å; N89-Y169 PolarHBondContact OD1-N 3.45Å; N89-W170 PolarHBondContact OD1-N 3.06Å; N89-W170 PolarHBondContact OD1-NE1 3.45Å; N89-T222 VanDerWaalsContact CB-O 3.29Å; N89-T222 WeakPolarHBondContact CB-O 3.48Å; N89-T222 PolarHBondContact ND2-O 2.91Å; N89-T222 VanDerWaalsContact ND2-O 3.08Å; N89-A223 WeakPolarHBondContact O-CA 3.44Å; N89-A224 PolarHBondContact O-N 3.32Å
90A79.5Confident74.8Confident0 Ų033.8 Ų33.80%017%0.166CC..EExtended strand (participates in β ladder)trans-144.2146.6-177.100000113.4W170 K171 F172 A225 Y227A90-W170 PolarHBondContact N-O 3.19Å; A90-K171 WeakPolarHBondContact O-CA 3.36Å; A90-F172 PolarHBondContact O-N 3.18Å; A90-A225 WeakPolarHBondContact CA-O 3.44Å; A90-A225 WeakPolarHBondContact CB-O 3.43Å; A90-Y227 HydrophobicContact CB-CD1 4.38Å; A90-Y227 HydrophobicContact CB-CD2 3.44Å; A90-Y227 VanDerWaalsContact CB-CD2 3.44Å; A90-Y227 HydrophobicContact CB-CE1 4.16Å; A90-Y227 HydrophobicContact CB-CE2 3.19Å; A90-Y227 HydrophobicContact CB-CG 4.04Å
91V82.1Confident75Confident0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-91.8118.9169.9-178.90000108.2F172 L174 L219 A223 A225 I226 Y227V91-F172 CarbonylContact C-O 3.49Å; V91-F172 HydrophobicContact CG1-CD1 4.48Å; V91-F172 HydrophobicContact CG2-CB 4.37Å; V91-L174 HydrophobicContact CG1-CB 4.45Å; V91-L219 HydrophobicContact CG2-CD1 3.6Å; V91-A223 HydrophobicContact CG2-CB 4.33Å; V91-A225 PolarHBondContact N-O 2.76Å; V91-I226 HydrophobicContact CB-CG1 4.48Å; V91-I226 CarbonylContact O-C 3.56Å; V91-I226 VanDerWaalsContact O-CA 3.27Å; V91-I226 WeakPolarHBondContact O-CA 3.45Å; V91-Y227 PolarHBondContact O-N 3.37Å
92V81.6Confident75.3Confident18 Ų1826.7 Ų26.711%0.10913%0.133CC..EExtended strand (participates in β ladder)trans-95.4118.2179-176.60000108.7K171 F172 L173 L174 Y227V92-K171 HydrophobicContact CG2-CB 4.1Å; V92-K171 HydrophobicContact CG2-CD 4.24Å; V92-K171 HydrophobicContact CG2-CG 4.29Å; V92-F172 PolarHBondContact N-O 3.4Å; V92-L173 HydrophobicContact CB-CD1 4Å; V92-L173 HydrophobicContact CG1-CD1 3.75Å; V92-L174 PolarHBondContact O-N 3.18Å; V92-Y227 WeakPolarHBondContact CA-O 3.42Å; V92-Y227 HydrophobicContact CG2-CD2 4.12Å
93I83.4Confident75.7Confident0 Ų023.5 Ų23.50%012%0.121CC..EExtended strand (participates in β ladder)trans-99107.4172.4-55.2175.5000107.9L174 C176 F212 I226 Y227 S229 L275 Y279 K282I93-L174 WeakPolarHBondContact CA-O 3.49Å; I93-C176 HydrophobicContact CG2-CB 4.37Å; I93-F212 HydrophobicContact CD1-CD2 4.18Å; I93-F212 HydrophobicContact CD1-CE2 3.48Å; I93-F212 VanDerWaalsContact CD1-CE2 3.48Å; I93-F212 HydrophobicContact CD1-CZ 4.06Å; I93-F212 HydrophobicContact CG1-CE2 4.24Å; I93-I226 HydrophobicContact CD1-CG2 3.53Å; I93-I226 HydrophobicContact CG1-CG2 3.82Å; I93-Y227 PolarHBondContact N-O 3.11Å; I93-S229 WeakPolarHBondContact O-CA 3.37Å; I93-S229 PolarHBondContact O-N 2.85Å; I93-L275 HydrophobicContact CD1-CD1 4.35Å; I93-Y279 HydrophobicContact CG2-CE2 4.3Å; I93-K282 PolarHBondContact O-NZ 3.21Å; I93-K282 VanDerWaalsContact O-NZ 3.16Å
94L82Confident76Confident4 Ų420.2 Ų20.22%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-108.4144.4178.7-165.666.1000110.2D101 L173 L174 Y175 L231 L254L94-D101 HydrophobicContact CD2-CB 4.2Å; L94-L173 HydrophobicContact CB-CD1 3.7Å; L94-L173 HydrophobicContact CD2-CD1 4.18Å; L94-L174 PolarHBondContact N-O 2.85Å; L94-Y175 HydrophobicContact CB-CD1 4.23Å; L94-Y175 HydrophobicContact CB-CE1 3.91Å; L94-Y175 HydrophobicContact CD2-CE1 3.91Å; L94-Y175 HydrophobicContact CG-CE1 4.15Å; L94-Y175 WeakPolarHBondContact O-CD1 3.42Å; L94-L231 HydrophobicContact CD1-CB 4.1Å; L94-L254 HydrophobicContact CD1-CD1 3.66Å
95N79Confident76.5Confident0 Ų017.9 Ų17.90%09%0.091CC..  trans-66151.6166.362.5-56.1000110.3S97 E177 T230 L231N95-S97 PolarHBondContact ND2-OG 2.87Å; N95-S97 VanDerWaalsContact ND2-OG 3.13Å; N95-E177 WeakPolarHBondContact CA-OE1 3.36Å; N95-E177 WeakPolarHBondContact CB-OE1 3.45Å; N95-T230 WeakPolarHBondContact OD1-CA 3.1Å; N95-L231 PolarHBondContact ND2-O 3.22Å; N95-L231 PolarHBondContact OD1-N 3.43Å
96H73.9Confident77Confident27 Ų2718.1 Ų18.113%0.1259%0.092CC..  trans-117.176.1-179.6-156.917.3000111.4D101 Y175 E177 R180 F181H96-D101 WeakPolarHBondContact CA-OD2 3.35Å; H96-D101 IonicContact ND1-OD2 3.13Å; H96-D101 PolarHBondContact ND1-OD2 3.33Å; H96-D101 VanDerWaalsContact ND1-OD2 3.13Å; H96-Y175 HydrophobicContact CB-CD1 3.55Å; H96-Y175 HydrophobicContact CB-CE1 4.12Å; H96-Y175 HydrophobicContact CB-CG 4.13Å; H96-Y175 AromaticContact CG-CD1 3.72Å; H96-Y175 AromaticContact CG-CE1 3.99Å; H96-Y175 AromaticContact ND1-CE1 3.81Å; H96-E177 PolarHBondContact N-OE1 3.13Å; H96-R180 VanDerWaalsContact CD2-CG 3.41Å; H96-R180 WeakPolarHBondContact CD2-CG 3.45Å; H96-R180 VanDerWaalsContact CE1-CG 3.49Å; H96-R180 WeakPolarHBondContact CE1-CG 3.22Å; H96-R180 PolarHBondContact CE1-NE 3.31Å; H96-R180 WeakPolarHBondContact NE2-CG 3.37Å; H96-R180 PolarHBondContact NE2-NE 3.29Å; H96-R180 CarbonylContact O-C 3.58Å; H96-R180 WeakPolarHBondContact O-CA 3.25Å; H96-F181 PolarHBondContact O-N 2.91Å
97S65.1Low77.7Confident18 Ų1817.6 Ų17.613%0.1269%0.087CC..  trans-103.2-30.7-174.3-56.10000112.5N95 D101N95-S97 PolarHBondContact ND2-OG 2.87Å; N95-S97 VanDerWaalsContact ND2-OG 3.13Å; S97-D101 PolarHBondContact N-OD2 3.42Å
98F68.8Low78Confident27 Ų2711 Ų1112%0.1186%0.058CC..SBendtrans-131.3168.5-171.3-48.5-81.9000113.6I100 D101 F233 V238 P239F98-I100 VanDerWaalsContact C-N 3.35Å; F98-D101 WeakPolarHBondContact CA-OD1 3.44Å; F98-D101 VanDerWaalsContact CB-OD1 3.25Å; F98-D101 WeakPolarHBondContact CB-OD1 3.22Å; F98-D101 PolarHBondContact N-OD1 3.03Å; F98-D101 PolarHBondContact N-OD2 3.47Å; F98-F233 HydrophobicContact CB-CE2 4.15Å; F98-F233 HydrophobicContact CD1-CD2 4.47Å; F98-F233 AromaticContact CD2-CD2 3.42Å; F98-F233 HydrophobicContact CD2-CD2 3.42Å; F98-F233 VanDerWaalsContact CD2-CD2 3.42Å; F98-F233 AromaticContact CD2-CE2 3.51Å; F98-F233 HydrophobicContact CD2-CE2 3.51Å; F98-F233 AromaticContact CE2-CD2 3.55Å; F98-F233 HydrophobicContact CE2-CD2 3.55Å; F98-F233 HydrophobicContact CE2-CE2 4.1Å; F98-F233 AromaticContact CG-CD2 3.91Å; F98-F233 HydrophobicContact CG-CD2 3.91Å; F98-F233 AromaticContact CG-CE2 3.93Å; F98-F233 HydrophobicContact CG-CE2 3.93Å; F98-F233 HydrophobicContact CZ-CD2 4.12Å; F98-V238 HydrophobicContact CD1-CG1 4.36Å; F98-P239 HydrophobicContact CB-CG 3.86Å; F98-P239 HydrophobicContact CD1-CG 4.24Å; F98-P239 HydrophobicContact CG-CG 4.07Å
99E66.4Low78.2Confident16 Ų1610.5 Ų10.58%0.0756%0.057CC..THydrogen-bonded Turntrans-68.3-37.7-178.6-58.7-170.3163.800112F102 E361 I362E99-F102 WeakPolarHBondContact O-CD1 3.44Å; E99-F102 WeakPolarHBondContact O-CE1 3.32Å; E99-E361 VanDerWaalsContact OE1-CA 3.22Å; E99-E361 WeakPolarHBondContact OE1-CA 3.38Å; E99-I362 HydrophobicContact CG-CD1 4.08Å; E99-I362 HydrophobicContact CG-CG1 3.72Å; E99-I362 PolarHBondContact OE1-N 3.05Å
100I74.6Confident78.4Confident1 Ų19.7 Ų9.71%0.0055%0.053CC..THydrogen-bonded Turntrans-94.29.1-171.270.4159.5000113.3L65 F98 F102 L103 C104 F233 P239 I244L65-I100 HydrophobicContact CD1-CD1 4.37Å; F98-I100 VanDerWaalsContact C-N 3.35Å; I100-F102 PolarHBondContact O-N 2.9Å; I100-L103 HydrophobicContact CB-CB 4.44Å; I100-L103 WeakPolarHBondContact O-CA 3.45Å; I100-L103 WeakPolarHBondContact O-CB 3.39Å; I100-L103 PolarHBondContact O-N 3.08Å; I100-C104 PolarHBondContact O-N 3.16Å; I100-F233 HydrophobicContact CD1-CE1 3.6Å; I100-F233 HydrophobicContact CD1-CZ 3.52Å; I100-F233 HydrophobicContact CG1-CE1 4.21Å; I100-F233 HydrophobicContact CG1-CE2 4.33Å; I100-F233 HydrophobicContact CG1-CZ 3.61Å; I100-P239 HydrophobicContact CD1-CB 3.34Å; I100-P239 HydrophobicContact CD1-CG 3.73Å; I100-P239 HydrophobicContact CG1-CB 3.59Å; I100-P239 HydrophobicContact CG1-CG 3.52Å; I100-I244 HydrophobicContact CB-CD1 4.22Å; I100-I244 HydrophobicContact CD1-CD1 4.12Å; I100-I244 HydrophobicContact CG2-CD1 3.61Å
101D78.1Confident78.4Confident0 Ų010.3 Ų10.30%06%0.055CC..Hα-helixtrans-53-43.7-179.2-64.1-17.5000111.6L94 H96 S97 F98 L103 C104 G105 Y175 L231L94-D101 HydrophobicContact CD2-CB 4.2Å; H96-D101 WeakPolarHBondContact CA-OD2 3.35Å; H96-D101 IonicContact ND1-OD2 3.13Å; H96-D101 PolarHBondContact ND1-OD2 3.33Å; H96-D101 VanDerWaalsContact ND1-OD2 3.13Å; S97-D101 PolarHBondContact N-OD2 3.42Å; F98-D101 WeakPolarHBondContact CA-OD1 3.44Å; F98-D101 VanDerWaalsContact CB-OD1 3.25Å; F98-D101 WeakPolarHBondContact CB-OD1 3.22Å; F98-D101 PolarHBondContact N-OD1 3.03Å; F98-D101 PolarHBondContact N-OD2 3.47Å; D101-L103 VanDerWaalsContact C-N 3.29Å; D101-L103 PolarHBondContact O-N 2.95Å; D101-C104 PolarHBondContact O-N 3.31Å; D101-G105 PolarHBondContact O-N 3.16Å; D101-Y175 HydrophobicContact CB-CE1 4.37Å; D101-L231 HydrophobicContact CB-CD2 4.1Å; D101-L231 WeakPolarHBondContact OD1-CD2 3.34Å
102F77.8Confident78.2Confident38 Ų3811.8 Ų11.817%0.1676%0.061CC..Hα-helixtrans-65.3-34.9179.172.7-91.8000111.8M61 E99 I100 G105 W106 Y175M61-F102 HydrophobicContact CE-CE2 3.84Å; M61-F102 HydrophobicContact CE-CZ 4.13Å; E99-F102 WeakPolarHBondContact O-CD1 3.44Å; E99-F102 WeakPolarHBondContact O-CE1 3.32Å; I100-F102 PolarHBondContact O-N 2.9Å; F102-G105 PolarHBondContact O-N 2.82Å; F102-W106 HydrophobicContact CD2-CD2 4.34Å; F102-W106 HydrophobicContact CD2-CE3 4.21Å; F102-W106 HydrophobicContact CD2-CH2 4.28Å; F102-W106 HydrophobicContact CD2-CZ2 4.41Å; F102-W106 HydrophobicContact CD2-CZ3 4.19Å; F102-W106 HydrophobicContact CE2-CE3 4.37Å; F102-W106 HydrophobicContact CE2-CH2 4.36Å; F102-W106 HydrophobicContact CE2-CZ3 4.08Å; F102-W106 PolarHBondContact O-N 3.02Å; F102-Y175 WeakPolarHBondContact CA-OH 3.41Å; F102-Y175 PolarHBondContact N-OH 3.4Å
103L80.3Confident77.9Confident1 Ų113 Ų131%0.0058%0.077CC..Hα-helixtrans-73.4-39.2-179.1-168.158.4000110.8M61 V62 L65 I100 D101 G105 W106 T107 L241 I244M61-L103 HydrophobicContact CB-CD1 3.63Å; M61-L103 HydrophobicContact CE-CD1 4.48Å; V62-L103 HydrophobicContact CG2-CD1 4.5Å; L65-L103 HydrophobicContact CB-CD2 3.88Å; L65-L103 HydrophobicContact CB-CG 4.11Å; L65-L103 HydrophobicContact CD1-CD2 4.22Å; L65-L103 HydrophobicContact CD2-CB 4.35Å; L65-L103 HydrophobicContact CD2-CD2 4.14Å; L65-L103 HydrophobicContact CD2-CG 3.75Å; L65-L103 HydrophobicContact CG-CD2 4.3Å; L65-L103 HydrophobicContact CG-CG 4.4Å; I100-L103 HydrophobicContact CB-CB 4.44Å; I100-L103 WeakPolarHBondContact O-CA 3.45Å; I100-L103 WeakPolarHBondContact O-CB 3.39Å; I100-L103 PolarHBondContact O-N 3.08Å; D101-L103 VanDerWaalsContact C-N 3.29Å; D101-L103 PolarHBondContact O-N 2.95Å; L103-G105 VanDerWaalsContact C-N 3.34Å; L103-W106 HydrophobicContact CD1-CE3 4.03Å; L103-W106 PolarHBondContact O-N 3.44Å; L103-T107 PolarHBondContact O-N 3.48Å; L103-T107 PolarHBondContact O-OG1 3Å; L103-L241 HydrophobicContact CD2-CD1 4.31Å; L103-I244 HydrophobicContact CD2-CD1 3.9Å
104C80.7Confident77.8Confident1 Ų113.2 Ų13.21%0.0078%0.079CC..Hα-helixtrans-60.7-43.9169-680000111.2I100 D101 W106 T107 F108 L231I100-C104 PolarHBondContact O-N 3.16Å; D101-C104 PolarHBondContact O-N 3.31Å; C104-W106 VanDerWaalsContact C-N 3.34Å; C104-W106 PolarHBondContact O-N 2.86Å; C104-T107 WeakPolarHBondContact O-CB 3.43Å; C104-T107 PolarHBondContact O-N 2.73Å; C104-F108 WeakPolarHBondContact O-CD2 3.37Å; C104-F108 PolarHBondContact O-N 3.46Å; C104-L231 HydrophobicContact CB-CD1 4.14Å; C104-L231 HydrophobicContact CB-CD2 3.86Å
105G81.5Confident77.8Confident16 Ų1613.2 Ų13.217%0.1658%0.078CC..Hα-helixtrans-58.1-43173.400000113.1D101 F102 L103 F108 C109D101-G105 PolarHBondContact O-N 3.16Å; F102-G105 PolarHBondContact O-N 2.82Å; L103-G105 VanDerWaalsContact C-N 3.34Å; G105-F108 PolarHBondContact O-N 2.98Å; G105-C109 PolarHBondContact O-N 3.29Å; G105-C109 PolarHBondContact O-SG 3.47Å
106W84.1Confident77.4Confident15 Ų1513.5 Ų13.56%0.0578%0.081CC..Hα-helixtrans-64.7-38.5175-76.7-4.4000113A58 M61 V62 F102 L103 C104 F108 C109 E110 L115 M135 W136A58-W106 HydrophobicContact CB-CE3 4.41Å; A58-W106 HydrophobicContact CB-CZ3 4.42Å; M61-W106 HydrophobicContact CE-CZ3 4.23Å; M61-W106 HydrophobicContact SD-CH2 4.48Å; M61-W106 HydrophobicContact SD-CZ3 3.69Å; V62-W106 HydrophobicContact CG2-CB 3.91Å; F102-W106 HydrophobicContact CD2-CD2 4.34Å; F102-W106 HydrophobicContact CD2-CE3 4.21Å; F102-W106 HydrophobicContact CD2-CH2 4.28Å; F102-W106 HydrophobicContact CD2-CZ2 4.41Å; F102-W106 HydrophobicContact CD2-CZ3 4.19Å; F102-W106 HydrophobicContact CE2-CE3 4.37Å; F102-W106 HydrophobicContact CE2-CH2 4.36Å; F102-W106 HydrophobicContact CE2-CZ3 4.08Å; F102-W106 PolarHBondContact O-N 3.02Å; L103-W106 HydrophobicContact CD1-CE3 4.03Å; L103-W106 PolarHBondContact O-N 3.44Å; C104-W106 VanDerWaalsContact C-N 3.34Å; C104-W106 PolarHBondContact O-N 2.86Å; W106-F108 VanDerWaalsContact C-N 3.29Å; W106-F108 PolarHBondContact O-N 2.95Å; W106-C109 CarbonylContact O-C 3.57Å; W106-C109 WeakPolarHBondContact O-CA 3.43Å; W106-C109 WeakPolarHBondContact O-CB 3.4Å; W106-C109 PolarHBondContact O-N 3.24Å; W106-C109 VanDerWaalsContact O-N 3.08Å; W106-E110 PolarHBondContact O-N 3.26Å; W106-L115 HydrophobicContact CB-CD1 3.55Å; W106-L115 HydrophobicContact CD2-CD1 4.22Å; W106-L115 HydrophobicContact CG-CD1 3.62Å; W106-M135 HydrophobicContact CH2-CE 4.36Å; W106-W136 HydrophobicContact CH2-CZ2 4.21Å; W106-W136 HydrophobicContact CZ2-CZ2 4.09Å; W106-W136 AromaticContact CZ2-NE1 3.9Å
107T83.3Confident77.5Confident0 Ų012.4 Ų12.40%08%0.077CC..Hα-helixtrans-57.3-42.8172.5-65.90000111.9L65 E66 C73 L103 C104 E110 R111L65-T107 WeakPolarHBondContact CD2-OG1 3.48Å; E66-T107 HydrophobicContact CG-CG2 3.71Å; E66-T107 WeakPolarHBondContact OE1-CG2 3.43Å; C73-T107 HydrophobicContact CB-CG2 4.35Å; L103-T107 PolarHBondContact O-N 3.48Å; L103-T107 PolarHBondContact O-OG1 3Å; C104-T107 WeakPolarHBondContact O-CB 3.43Å; C104-T107 PolarHBondContact O-N 2.73Å; T107-E110 WeakPolarHBondContact O-CB 3.34Å; T107-E110 PolarHBondContact O-N 3.05Å; T107-R111 WeakPolarHBondContact O-CG 3.24Å; T107-R111 PolarHBondContact O-N 3.42Å
108F80.3Confident78.2Confident10 Ų1012.2 Ų12.24%0.0448%0.076CC..Hα-helixtrans-66.4-40.6174.1-68.6-67.4000112C73 L75 C104 G105 W106 E110 R111 F112 L254C73-F108 HydrophobicContact CB-CE1 4.26Å; C73-F108 HydrophobicContact CB-CE2 4.2Å; C73-F108 HydrophobicContact CB-CZ 3.72Å; L75-F108 HydrophobicContact CB-CD1 4.46Å; L75-F108 HydrophobicContact CB-CE1 3.71Å; L75-F108 HydrophobicContact CB-CZ 4.34Å; L75-F108 HydrophobicContact CD1-CE1 4.42Å; C104-F108 WeakPolarHBondContact O-CD2 3.37Å; C104-F108 PolarHBondContact O-N 3.46Å; G105-F108 PolarHBondContact O-N 2.98Å; W106-F108 VanDerWaalsContact C-N 3.29Å; W106-F108 PolarHBondContact O-N 2.95Å; F108-E110 VanDerWaalsContact C-N 3.26Å; F108-E110 PolarHBondContact O-N 2.94Å; F108-R111 PolarHBondContact O-N 3.13Å; F108-F112 WeakPolarHBondContact O-CD2 3.29Å; F108-F112 PolarHBondContact O-N 3Å; F108-F112 VanDerWaalsContact O-N 3.17Å; F108-L254 HydrophobicContact CD1-CD2 4.37Å; F108-L254 HydrophobicContact CD2-CB 4.44Å; F108-L254 HydrophobicContact CD2-CD2 3.25Å; F108-L254 HydrophobicContact CD2-CG 4.38Å; F108-L254 HydrophobicContact CE1-CD2 4.32Å; F108-L254 HydrophobicContact CE2-CB 3.48Å; F108-L254 VanDerWaalsContact CE2-CB 3.48Å; F108-L254 HydrophobicContact CE2-CD2 3.18Å; F108-L254 HydrophobicContact CE2-CG 3.86Å; F108-L254 HydrophobicContact CG-CD2 3.88Å; F108-L254 HydrophobicContact CZ-CB 3.52Å; F108-L254 HydrophobicContact CZ-CD2 3.74Å; F108-L254 HydrophobicContact CZ-CG 4.24Å
109C81.3Confident78.8Confident11 Ų1111.1 Ų11.17%0.0747%0.071CC..Hα-helixtrans-59.9-38.6174.5-61.90000111.9G105 W106 F112 G113 V114 L115G105-C109 PolarHBondContact O-N 3.29Å; G105-C109 PolarHBondContact O-SG 3.47Å; W106-C109 CarbonylContact O-C 3.57Å; W106-C109 WeakPolarHBondContact O-CA 3.43Å; W106-C109 WeakPolarHBondContact O-CB 3.4Å; W106-C109 PolarHBondContact O-N 3.24Å; W106-C109 VanDerWaalsContact O-N 3.08Å; C109-F112 CarbonylContact O-C 3.56Å; C109-F112 PolarHBondContact O-N 3.18Å; C109-G113 PolarHBondContact O-N 3.02Å; C109-V114 HydrophobicContact CB-CG2 3.99Å; C109-V114 PolarHBondContact O-N 3.24Å; C109-L115 HydrophobicContact CB-CB 4.3Å; C109-L115 HydrophobicContact CB-CD1 4.23Å; C109-L115 PolarHBondContact O-N 3.12Å
110E82.3Confident79.4Confident1 Ų111.2 Ų11.21%0.0057%0.072CC..Hα-helixtrans-62.5-48.8175.1-178.358.1-157.800111.5Y55 V62 W106 T107 F108 F112 G113 L115 R305Y55-E110 WeakPolarHBondContact CE2-OE2 3.38Å; Y55-E110 PolarHBondContact OH-OE1 3.43Å; V62-E110 HydrophobicContact CG1-CB 4.08Å; V62-E110 HydrophobicContact CG1-CG 4.12Å; W106-E110 PolarHBondContact O-N 3.26Å; T107-E110 WeakPolarHBondContact O-CB 3.34Å; T107-E110 PolarHBondContact O-N 3.05Å; F108-E110 VanDerWaalsContact C-N 3.26Å; F108-E110 PolarHBondContact O-N 2.94Å; E110-F112 PolarHBondContact O-N 3.13Å; E110-F112 VanDerWaalsContact O-N 3.17Å; E110-G113 PolarHBondContact O-N 3.34Å; E110-L115 HydrophobicContact CB-CD2 4.33Å; E110-L115 WeakPolarHBondContact OE2-CB 3.33Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.29Å; E110-R305 WeakPolarHBondContact O-CD 3.26Å; E110-R305 PolarHBondContact O-NE 2.89Å
111R80.2Confident79.4Confident13 Ų1313.1 Ų13.15%0.0498%0.083CC..Hα-helixtrans-61-27.8-179.6-70.4-175.5-171.9-172.115.2113.4E66 C73 T107 F108 P302 R305E66-R111 IonicContact OE1-CZ 2.86Å; E66-R111 VanDerWaalsContact OE1-CZ 3.3Å; E66-R111 IonicContact OE1-NE 3.26Å; E66-R111 PolarHBondContact OE1-NE 3.01Å; E66-R111 IonicContact OE1-NH2 2.73Å; E66-R111 PolarHBondContact OE1-NH2 3.37Å; C73-R111 PolarHBondContact O-NH1 2.6Å; C73-R111 VanDerWaalsContact O-NH1 3.15Å; C73-R111 PolarHBondContact O-NH2 3.13Å; T107-R111 WeakPolarHBondContact O-CG 3.24Å; T107-R111 PolarHBondContact O-N 3.42Å; F108-R111 PolarHBondContact O-N 3.13Å; R111-P302 HydrophobicContact CB-CB 4.05Å; R111-P302 HydrophobicContact CB-CG 4.22Å; R111-P302 HydrophobicContact CG-CB 4.41Å; R111-P302 PolarHBondContact NH1-O 3.42Å; R111-R305 PolarHBondContact O-NE 3.49Å; R111-R305 PolarHBondContact O-NH2 3.28Å
112F78.5Confident79.3Confident31 Ų3113.5 Ų13.514%0.1369%0.085CC..Hα-helixtrans-95.6-6.5172.9-63.6-67.8000114.1L75 Y82 Y85 F108 C109 E110 V114 R305L75-F112 HydrophobicContact CD2-CE2 4.43Å; L75-F112 HydrophobicContact CD2-CZ 4.15Å; Y82-F112 HydrophobicContact CD2-CE1 4.4Å; Y82-F112 HydrophobicContact CD2-CZ 4.27Å; Y82-F112 AromaticContact CE2-CE1 3.98Å; Y82-F112 HydrophobicContact CE2-CE1 3.98Å; Y82-F112 AromaticContact CE2-CZ 3.88Å; Y82-F112 HydrophobicContact CE2-CZ 3.88Å; Y85-F112 HydrophobicContact CD2-CE1 4.29Å; Y85-F112 HydrophobicContact CD2-CE2 4.33Å; Y85-F112 AromaticContact CD2-CZ 3.8Å; Y85-F112 HydrophobicContact CD2-CZ 3.8Å; Y85-F112 HydrophobicContact CG-CE1 4.41Å; Y85-F112 HydrophobicContact CG-CE2 4.44Å; Y85-F112 HydrophobicContact CG-CZ 4.14Å; Y85-F112 WeakPolarHBondContact O-CD1 3.39Å; F108-F112 WeakPolarHBondContact O-CD2 3.29Å; F108-F112 PolarHBondContact O-N 3Å; F108-F112 VanDerWaalsContact O-N 3.17Å; C109-F112 CarbonylContact O-C 3.56Å; C109-F112 PolarHBondContact O-N 3.18Å; E110-F112 PolarHBondContact O-N 3.13Å; E110-F112 VanDerWaalsContact O-N 3.17Å; F112-V114 HydrophobicContact CB-CG2 4.36Å; F112-R305 PolarHBondContact O-NH2 3.1Å
113G75.4Confident79.2Confident43 Ų4314.3 Ų14.344%0.4439%0.089SC..THydrogen-bonded Turntrans82.119.4175.800000115.6C109 E110C109-G113 PolarHBondContact O-N 3.02Å; E110-G113 PolarHBondContact O-N 3.34Å
114V81.1Confident79.1Confident5 Ų518.2 Ų18.23%0.0311%0.106CC..  trans-114.619.5-176.1-62.10000112.5C109 F112 S117 S118 Y169 K171C109-V114 HydrophobicContact CB-CG2 3.99Å; C109-V114 PolarHBondContact O-N 3.24Å; F112-V114 HydrophobicContact CB-CG2 4.36Å; V114-S117 PolarHBondContact O-N 3.47Å; V114-S117 PolarHBondContact O-OG 2.81Å; V114-S117 VanDerWaalsContact O-OG 3.06Å; V114-S118 PolarHBondContact O-N 2.66Å; V114-Y169 WeakPolarHBondContact CB-O 3.24Å; V114-Y169 WeakPolarHBondContact CG1-O 3.5Å; V114-K171 HydrophobicContact CG2-CD 3.8Å; V114-K171 HydrophobicContact CG2-CG 4.27Å
115L80.4Confident78.8Confident3 Ų323.6 Ų23.62%0.01613%0.131CC..SBendtrans-62-47.7-177.4179.161.7000112Y55 A58 V62 W106 C109 E110 S117 S118Y55-L115 HydrophobicContact CD2-CB 4.08Å; Y55-L115 HydrophobicContact CD2-CD2 4.22Å; Y55-L115 HydrophobicContact CD2-CG 4.44Å; Y55-L115 HydrophobicContact CE2-CB 4.37Å; Y55-L115 HydrophobicContact CE2-CD2 4.33Å; A58-L115 HydrophobicContact CB-CD1 4.1Å; A58-L115 HydrophobicContact CB-CD2 3.86Å; A58-L115 HydrophobicContact CB-CG 3.92Å; V62-L115 HydrophobicContact CG2-CD1 4.5Å; V62-L115 HydrophobicContact CG2-CD2 3.98Å; W106-L115 HydrophobicContact CB-CD1 3.55Å; W106-L115 HydrophobicContact CD2-CD1 4.22Å; W106-L115 HydrophobicContact CG-CD1 3.62Å; C109-L115 HydrophobicContact CB-CB 4.3Å; C109-L115 HydrophobicContact CB-CD1 4.23Å; C109-L115 PolarHBondContact O-N 3.12Å; E110-L115 HydrophobicContact CB-CD2 4.33Å; E110-L115 WeakPolarHBondContact OE2-CB 3.33Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.29Å; L115-S117 VanDerWaalsContact C-N 3.26Å; L115-S117 PolarHBondContact O-N 2.8Å; L115-S118 WeakPolarHBondContact O-CB 3.34Å; L115-S118 PolarHBondContact O-N 3.36Å; L115-S118 VanDerWaalsContact O-N 3.16Å; L115-S118 PolarHBondContact O-OG 3.18Å
116G71.9Confident78.6Confident6 Ų624.8 Ų24.86%0.06213%0.133CC..THydrogen-bonded Turntrans-66.7-25.3-178.800000114.1I51I51-G116 WeakPolarHBondContact O-CA 3.37Å
117S76.6Confident78.4Confident5 Ų525.1 Ų25.14%0.03514%0.139CC..THydrogen-bonded Turntrans-92.5-2.1178.161.70000112.7V114 L115 Y169 W170V114-S117 PolarHBondContact O-N 3.47Å; V114-S117 PolarHBondContact O-OG 2.81Å; V114-S117 VanDerWaalsContact O-OG 3.06Å; L115-S117 VanDerWaalsContact C-N 3.26Å; L115-S117 PolarHBondContact O-N 2.8Å; S117-Y169 PolarHBondContact OG-O 3.05Å; S117-W170 VanDerWaalsContact O-CB 3.22Å; S117-W170 WeakPolarHBondContact O-CB 3.16Å
118S79.6Confident78.1Confident14 Ų1432.6 Ų32.610%0.09817%0.169CC..  trans-67.6134.6178.271.50000111.4V114 L115V114-S118 PolarHBondContact O-N 2.66Å; L115-S118 WeakPolarHBondContact O-CB 3.34Å; L115-S118 PolarHBondContact O-N 3.36Å; L115-S118 VanDerWaalsContact O-N 3.16Å; L115-S118 PolarHBondContact O-OG 3.18Å
119K80.9Confident78.1Confident4 Ų432.7 Ų32.72%0.01717%0.17CC..EExtended strand (participates in β ladder)trans-124.4149.5-180-54.5-63.1178.7-177.40108.6L139 I141 L162 W170 K171 F172 L173K119-L139 PolarHBondContact NZ-O 3.01Å; K119-I141 HydrophobicContact CB-CG1 4.49Å; K119-I141 HydrophobicContact CD-CG1 4.11Å; K119-L162 HydrophobicContact CD-CD2 4.25Å; K119-L162 HydrophobicContact CG-CD2 4.02Å; K119-W170 HydrophobicContact CG-CE3 4.35Å; K119-K171 PolarHBondContact N-O 3.44Å; K119-K171 VanDerWaalsContact O-O 3.06Å; K119-F172 HydrophobicContact CB-CD2 3.85Å; K119-F172 HydrophobicContact CB-CE2 4.32Å; K119-F172 CarbonylContact O-C 3.54Å; K119-F172 WeakPolarHBondContact O-CA 3.41Å; K119-L173 PolarHBondContact O-N 3.45Å
120V79.1Confident77.8Confident17 Ų1734.2 Ų34.210%0.10318%0.18CC..EExtended strand (participates in β ladder)trans-138.3153.3-179.262.60000110A122 W136 I141 L173 Y175V120-A122 HydrophobicContact CG1-CB 4.42Å; V120-A122 PolarHBondContact O-N 3.03Å; V120-W136 HydrophobicContact CG1-CZ2 4.48Å; V120-I141 HydrophobicContact CG1-CD1 4.08Å; V120-I141 HydrophobicContact CG1-CG2 4.31Å; V120-I141 WeakPolarHBondContact O-CG2 3.38Å; V120-L173 HydrophobicContact CB-CB 4.28Å; V120-L173 HydrophobicContact CG2-CB 4.13Å; V120-L173 HydrophobicContact CG2-CD2 4.27Å; V120-L173 HydrophobicContact CG2-CG 4.38Å; V120-Y175 HydrophobicContact CG2-CE2 4.38Å
121L75Confident77.9Confident42 Ų4234.2 Ų34.222%0.2218%0.18CC..EExtended strand (participates in β ladder)trans-81.6109.5162.3-79.6173.1000109.8V142 V155 F172 L173 L174L121-V142 HydrophobicContact CD2-CB 3.49Å; L121-V142 VanDerWaalsContact CD2-CB 3.49Å; L121-V142 HydrophobicContact CD2-CG1 3.42Å; L121-V142 VanDerWaalsContact CD2-CG1 3.42Å; L121-V142 HydrophobicContact CD2-CG2 4.43Å; L121-V155 HydrophobicContact CD2-CG2 4.38Å; L121-F172 HydrophobicContact CD1-CE1 3.92Å; L121-F172 HydrophobicContact CD1-CZ 4.12Å; L121-F172 HydrophobicContact CD2-CZ 3.94Å; L121-F172 HydrophobicContact CG-CE1 3.79Å; L121-F172 HydrophobicContact CG-CZ 3.56Å; L121-L173 PolarHBondContact N-O 3.43Å; L121-L174 HydrophobicContact CB-CD1 4.49Å; L121-L174 HydrophobicContact CD1-CD1 3.24Å; L121-L174 HydrophobicContact CG-CD1 4.25Å
122A75.4Confident78.1Confident7 Ų734.4 Ų34.46%0.05818%0.182CC..EExtended strand (participates in β ladder)trans-107.2156.4-177.800000111.9V120 L126 W136 I141 V142 F143 C144V120-A122 HydrophobicContact CG1-CB 4.42Å; V120-A122 PolarHBondContact O-N 3.03Å; A122-L126 HydrophobicContact CB-CD1 4.4Å; A122-W136 HydrophobicContact CB-CE3 3.9Å; A122-W136 HydrophobicContact CB-CZ3 3.78Å; A122-I141 HydrophobicContact CB-CG2 4.11Å; A122-V142 PolarHBondContact N-O 2.87Å; A122-F143 HydrophobicContact CB-CD1 3.94Å; A122-F143 HydrophobicContact CB-CE1 4.05Å; A122-F143 CarbonylContact O-C 3.54Å; A122-F143 WeakPolarHBondContact O-CA 3.43Å; A122-C144 PolarHBondContact O-N 3.23Å
123K76.4Confident78.2Confident56 Ų5633 Ų3324%0.24318%0.175CC..EExtended strand (participates in β ladder)trans-71.6143.1170.2-55.5175.6-159.3173.50109.3E125 L126K123-E125 PolarHBondContact O-N 2.79Å; K123-E125 VanDerWaalsContact O-N 3.16Å; K123-L126 HydrophobicContact CB-CD1 4.36Å; K123-L126 HydrophobicContact CB-CG 4.33Å; K123-L126 WeakPolarHBondContact O-CB 3.33Å; K123-L126 PolarHBondContact O-N 3.17Å
124K76.5Confident78.7Confident82 Ų8236.1 Ų36.136%0.35717%0.174SC..Hα-helixtrans-55.5-33.3175-172.7176.1177.5-177.70113.3L126 A127 Y128 F143 C144 K145K124-L126 PolarHBondContact O-N 3.32Å; K124-A127 WeakPolarHBondContact O-CB 3.35Å; K124-A127 PolarHBondContact O-N 2.98Å; K124-Y128 HydrophobicContact CG-CE2 4.34Å; K124-Y128 WeakPolarHBondContact O-CD2 3.36Å; K124-F143 HydrophobicContact CB-CB 4.49Å; K124-C144 PolarHBondContact N-O 2.97Å; K124-K145 HydrophobicContact CB-CG 4.29Å; K124-K145 HydrophobicContact CD-CD 4.26Å; K124-K145 HydrophobicContact CD-CG 3.65Å
125E75.9Confident78.9Confident115 Ų11536 Ų3654%0.53717%0.173SC..Hα-helixtrans-54.8-35.3174.6-67.8154.8-17600112.4K123 A127 Y128K123-E125 PolarHBondContact O-N 2.79Å; K123-E125 VanDerWaalsContact O-N 3.16Å; E125-A127 VanDerWaalsContact C-N 3.27Å; E125-A127 PolarHBondContact O-N 3.4Å; E125-Y128 PolarHBondContact O-N 3.03Å
126L76.7Confident79.1Confident40 Ų4037.2 Ų37.221%0.20918%0.177CC..Hα-helixtrans-73.6-18-179.7-62.1171.9000112.9A122 K123 K124 Y128 V129 G133 W136A122-L126 HydrophobicContact CB-CD1 4.4Å; K123-L126 HydrophobicContact CB-CD1 4.36Å; K123-L126 HydrophobicContact CB-CG 4.33Å; K123-L126 WeakPolarHBondContact O-CB 3.33Å; K123-L126 PolarHBondContact O-N 3.17Å; K124-L126 PolarHBondContact O-N 3.32Å; L126-Y128 PolarHBondContact O-N 3.02Å; L126-V129 HydrophobicContact CD2-CG2 4.3Å; L126-V129 WeakPolarHBondContact O-CB 3.46Å; L126-V129 PolarHBondContact O-N 3.49Å; L126-G133 WeakPolarHBondContact O-CA 3.41Å; L126-W136 HydrophobicContact CB-CE3 4.28Å; L126-W136 HydrophobicContact CB-CZ3 3.69Å; L126-W136 HydrophobicContact CD1-CH2 4.25Å; L126-W136 HydrophobicContact CD1-CZ3 3.79Å; L126-W136 HydrophobicContact CG-CZ3 4.31Å
127A79.4Confident79.6Confident23 Ų2344.6 Ų44.619%0.1920%0.204CC..Hα-helixtrans-64.2-27.5173.500000112K124 E125 V129 F143K124-A127 WeakPolarHBondContact O-CB 3.35Å; K124-A127 PolarHBondContact O-N 2.98Å; E125-A127 VanDerWaalsContact C-N 3.27Å; E125-A127 PolarHBondContact O-N 3.4Å; A127-V129 VanDerWaalsContact C-N 3.32Å; A127-F143 HydrophobicContact CB-CD1 3.78Å; A127-F143 HydrophobicContact CB-CD2 4.37Å; A127-F143 HydrophobicContact CB-CE1 3.49Å; A127-F143 VanDerWaalsContact CB-CE1 3.49Å; A127-F143 HydrophobicContact CB-CE2 4.13Å; A127-F143 HydrophobicContact CB-CG 4.2Å; A127-F143 HydrophobicContact CB-CZ 3.67Å
128Y78.3Confident79.9Confident157 Ų15745.5 Ų45.562%0.61621%0.208SC*.THydrogen-bonded Turntrans-83.9-7.8-180-60.5-76.1000113.4K124 E125 L126K124-Y128 HydrophobicContact CG-CE2 4.34Å; K124-Y128 WeakPolarHBondContact O-CD2 3.36Å; E125-Y128 PolarHBondContact O-N 3.03Å; L126-Y128 PolarHBondContact O-N 3.02Å
129V79.6Confident79.7Confident11 Ų1145.1 Ų45.17%0.06721%0.205CC..SBendtrans-71.9120.9176.1177.90000108L126 A127 G133 W355 M356 Q359L126-V129 HydrophobicContact CD2-CG2 4.3Å; L126-V129 WeakPolarHBondContact O-CB 3.46Å; L126-V129 PolarHBondContact O-N 3.49Å; A127-V129 VanDerWaalsContact C-N 3.32Å; V129-G133 WeakPolarHBondContact O-CA 3.11Å; V129-G133 PolarHBondContact O-N 2.79Å; V129-W355 HydrophobicContact CG1-CZ3 4.33Å; V129-W355 HydrophobicContact CG2-CH2 4.17Å; V129-W355 HydrophobicContact CG2-CZ3 4.27Å; V129-M356 HydrophobicContact CG1-CE 3.87Å; V129-M356 HydrophobicContact CG1-CG 4.08Å; V129-Q359 HydrophobicContact CG2-CG 4.26Å
130P75.5Confident79.6Confident44 Ų4446.9 Ų46.929%0.28621%0.213SC..THydrogen-bonded Turntrans-62.7156.6179.728-33.1000110.2I132P130-I132 PolarHBondContact O-N 3.19Å
131V84.4Confident79.7Confident1 Ų146.6 Ų46.61%0.00621%0.211CC..THydrogen-bonded Turntrans69.4-68.2-173.8-1760000113.8F21 L22 L26 N29 I57 M135F21-V131 HydrophobicContact CE1-CG1 4.3Å; F21-V131 HydrophobicContact CZ-CG1 4.12Å; L22-V131 HydrophobicContact CD2-CG2 4.16Å; L26-V131 HydrophobicContact CD2-CG2 4.25Å; L26-V131 HydrophobicContact CG-CG2 4.15Å; N29-V131 VanDerWaalsContact ND2-CA 3.34Å; N29-V131 WeakPolarHBondContact ND2-CA 3.49Å; N29-V131 PolarHBondContact ND2-O 2.98Å; N29-V131 VanDerWaalsContact ND2-O 3.09Å; I57-V131 HydrophobicContact CD1-CG1 4.34Å; I57-V131 HydrophobicContact CG2-CG1 3.84Å; V131-M135 VanDerWaalsContact O-CB 3.24Å; V131-M135 WeakPolarHBondContact O-CB 3.1Å; V131-M135 PolarHBondContact O-N 3.33Å
132I82.6Confident79.7Confident17 Ų1744.6 Ų44.69%0.08720%0.201CC..Hα-helixtrans-78.2-43.7-173-66.6-65.3000112.2F21 I57 M61 P130 W134 M135 W136 M356F21-I132 HydrophobicContact CE2-CD1 4.49Å; F21-I132 HydrophobicContact CZ-CD1 3.86Å; F21-I132 HydrophobicContact CZ-CG1 3.98Å; I57-I132 HydrophobicContact CG2-CD1 3.74Å; M61-I132 HydrophobicContact SD-CD1 3.84Å; M61-I132 HydrophobicContact SD-CG1 4.49Å; P130-I132 PolarHBondContact O-N 3.19Å; I132-W134 VanDerWaalsContact C-N 3.32Å; I132-W134 PolarHBondContact O-N 2.84Å; I132-M135 HydrophobicContact CD1-CE 3.88Å; I132-M135 HydrophobicContact CG2-CE 4.46Å; I132-M135 WeakPolarHBondContact O-CB 3.38Å; I132-M135 PolarHBondContact O-N 2.96Å; I132-W136 HydrophobicContact CG2-CD2 3.91Å; I132-W136 HydrophobicContact CG2-CE3 4.25Å; I132-W136 HydrophobicContact CG2-CH2 3.99Å; I132-W136 HydrophobicContact CG2-CZ2 3.61Å; I132-W136 HydrophobicContact CG2-CZ3 4.3Å; I132-W136 WeakPolarHBondContact O-CB 3.42Å; I132-W136 VanDerWaalsContact O-CG 3.27Å; I132-W136 PolarHBondContact O-N 3.47Å; I132-M356 HydrophobicContact CG1-CE 4.48Å
133G81.8Confident79.8Confident0 Ų045.9 Ų45.90%021%0.205CC..Hα-helixtrans-64.4-39178.600000112.2L126 V129 W136 Y137L126-G133 WeakPolarHBondContact O-CA 3.41Å; V129-G133 WeakPolarHBondContact O-CA 3.11Å; V129-G133 PolarHBondContact O-N 2.79Å; G133-W136 PolarHBondContact O-N 3.45Å; G133-Y137 PolarHBondContact O-N 2.77Å
134W85.7Confident79.6Confident109 Ų10944.4 Ų44.441%0.41320%0.201SC..Hα-helixtrans-68.9-44.9175.3-61.6-4.7000111.7L26 N29 I132 W136 Y137 F138L26-W134 HydrophobicContact CD2-CZ3 3.91Å; N29-W134 HydrophobicContact CB-CE3 3.9Å; N29-W134 WeakPolarHBondContact OD1-CB 3.41Å; I132-W134 VanDerWaalsContact C-N 3.32Å; I132-W134 PolarHBondContact O-N 2.84Å; W134-W136 PolarHBondContact O-N 2.95Å; W134-Y137 WeakPolarHBondContact O-CB 3.21Å; W134-Y137 PolarHBondContact O-N 3.43Å; W134-F138 WeakPolarHBondContact O-CD2 3.08Å; W134-F138 PolarHBondContact O-N 3.02Å
135M86.1Confident79.1Confident3 Ų345.6 Ų45.62%0.01521%0.206CC..Hα-helixtrans-53.4-45.4171.4177.3-169.474.800111.2N29 A54 I57 W106 V131 I132 F138 L139N29-M135 PolarHBondContact OD1-N 3.2Å; A54-M135 HydrophobicContact CB-CG 3.61Å; A54-M135 HydrophobicContact CB-SD 3.91Å; I57-M135 HydrophobicContact CB-SD 3.6Å; I57-M135 VanDerWaalsContact CB-SD 3.6Å; I57-M135 HydrophobicContact CD1-CB 3.97Å; I57-M135 HydrophobicContact CD1-CG 4.11Å; I57-M135 HydrophobicContact CD1-SD 4.11Å; I57-M135 HydrophobicContact CG1-SD 4.41Å; I57-M135 HydrophobicContact CG2-SD 3.71Å; W106-M135 HydrophobicContact CH2-CE 4.36Å; V131-M135 VanDerWaalsContact O-CB 3.24Å; V131-M135 WeakPolarHBondContact O-CB 3.1Å; V131-M135 PolarHBondContact O-N 3.33Å; I132-M135 HydrophobicContact CD1-CE 3.88Å; I132-M135 HydrophobicContact CG2-CE 4.46Å; I132-M135 WeakPolarHBondContact O-CB 3.38Å; I132-M135 PolarHBondContact O-N 2.96Å; M135-F138 PolarHBondContact O-N 2.9Å; M135-L139 HydrophobicContact CG-CD1 4.38Å; M135-L139 WeakPolarHBondContact O-CB 3.28Å; M135-L139 WeakPolarHBondContact O-CG 3.19Å; M135-L139 PolarHBondContact O-N 2.67Å
136W83.9Confident78.6Confident28 Ų2842 Ų4211%0.10619%0.188CC..Hα-helixtrans-66-37.7177.6-71.7-8.6000112.9W106 V120 A122 L126 I132 G133 W134 L139 E140 I141 F143W106-W136 HydrophobicContact CH2-CZ2 4.21Å; W106-W136 HydrophobicContact CZ2-CZ2 4.09Å; W106-W136 AromaticContact CZ2-NE1 3.9Å; V120-W136 HydrophobicContact CG1-CZ2 4.48Å; A122-W136 HydrophobicContact CB-CE3 3.9Å; A122-W136 HydrophobicContact CB-CZ3 3.78Å; L126-W136 HydrophobicContact CB-CE3 4.28Å; L126-W136 HydrophobicContact CB-CZ3 3.69Å; L126-W136 HydrophobicContact CD1-CH2 4.25Å; L126-W136 HydrophobicContact CD1-CZ3 3.79Å; L126-W136 HydrophobicContact CG-CZ3 4.31Å; I132-W136 HydrophobicContact CG2-CD2 3.91Å; I132-W136 HydrophobicContact CG2-CE3 4.25Å; I132-W136 HydrophobicContact CG2-CH2 3.99Å; I132-W136 HydrophobicContact CG2-CZ2 3.61Å; I132-W136 HydrophobicContact CG2-CZ3 4.3Å; I132-W136 WeakPolarHBondContact O-CB 3.42Å; I132-W136 VanDerWaalsContact O-CG 3.27Å; I132-W136 PolarHBondContact O-N 3.47Å; G133-W136 PolarHBondContact O-N 3.45Å; W134-W136 PolarHBondContact O-N 2.95Å; W136-L139 CarbonylContact O-C 3.56Å; W136-L139 PolarHBondContact O-N 3.2Å; W136-E140 PolarHBondContact O-N 2.93Å; W136-I141 HydrophobicContact CB-CB 3.99Å; W136-I141 HydrophobicContact CB-CD1 3.74Å; W136-I141 HydrophobicContact CB-CG1 4.42Å; W136-I141 HydrophobicContact CB-CG2 4.1Å; W136-I141 HydrophobicContact CD2-CD1 4.21Å; W136-I141 HydrophobicContact CG-CD1 3.46Å; W136-I141 VanDerWaalsContact CG-CD1 3.46Å; W136-I141 HydrophobicContact CG-CG2 4.42Å; W136-I141 WeakPolarHBondContact O-CB 3.36Å; W136-I141 PolarHBondContact O-N 3.26Å; W136-F143 HydrophobicContact CB-CE1 4.36Å; W136-F143 HydrophobicContact CB-CZ 3.69Å; W136-F143 HydrophobicContact CE3-CE1 4.13Å
137Y83.3Confident78.1Confident161 Ų16146 Ų4663%0.63120%0.204SC*.Hα-helixtrans-59.7-47.9173.6-177.9-95.1000112G133 W134 L139 E140G133-Y137 PolarHBondContact O-N 2.77Å; W134-Y137 WeakPolarHBondContact O-CB 3.21Å; W134-Y137 PolarHBondContact O-N 3.43Å; Y137-L139 PolarHBondContact O-N 3.48Å; Y137-E140 PolarHBondContact O-N 3.38Å
138F80.9Confident77.4Confident24 Ų2448.9 Ų48.911%0.10521%0.21CC..Hα-helixtrans-68.3-23177-72.4-67.4000113.8Q32 I33 L36 W134 M135 E140Q32-F138 HydrophobicContact CB-CB 4.4Å; Q32-F138 HydrophobicContact CB-CD1 4.11Å; Q32-F138 HydrophobicContact CB-CD2 3.52Å; Q32-F138 HydrophobicContact CB-CE1 4.27Å; Q32-F138 HydrophobicContact CB-CE2 3.72Å; Q32-F138 HydrophobicContact CB-CG 3.75Å; Q32-F138 HydrophobicContact CB-CZ 4.11Å; Q32-F138 HydrophobicContact CG-CD2 4.22Å; Q32-F138 HydrophobicContact CG-CG 4.38Å; I33-F138 HydrophobicContact CB-CZ 4.44Å; I33-F138 HydrophobicContact CG1-CE2 4.17Å; I33-F138 HydrophobicContact CG1-CZ 3.62Å; L36-F138 HydrophobicContact CD2-CE1 4.09Å; L36-F138 HydrophobicContact CG-CE1 4.36Å; W134-F138 WeakPolarHBondContact O-CD2 3.08Å; W134-F138 PolarHBondContact O-N 3.02Å; M135-F138 PolarHBondContact O-N 2.9Å; F138-E140 PolarHBondContact O-N 2.71Å
139L77.4Confident76.9Confident7 Ų748.4 Ų48.44%0.03721%0.213CC..THydrogen-bonded Turntrans-81.15.8169.7-74.5-178.4000113.3I51 A54 K119 M135 W136 Y137 I141 Y165I51-L139 HydrophobicContact CG1-CD2 4.25Å; A54-L139 HydrophobicContact CB-CD1 3.48Å; A54-L139 VanDerWaalsContact CB-CD1 3.48Å; A54-L139 HydrophobicContact CB-CD2 3.7Å; A54-L139 HydrophobicContact CB-CG 3.7Å; K119-L139 PolarHBondContact NZ-O 3.01Å; M135-L139 HydrophobicContact CG-CD1 4.38Å; M135-L139 WeakPolarHBondContact O-CB 3.28Å; M135-L139 WeakPolarHBondContact O-CG 3.19Å; M135-L139 PolarHBondContact O-N 2.67Å; W136-L139 CarbonylContact O-C 3.56Å; W136-L139 PolarHBondContact O-N 3.2Å; Y137-L139 PolarHBondContact O-N 3.48Å; L139-I141 HydrophobicContact CB-CD1 4.28Å; L139-I141 HydrophobicContact CB-CG1 4.29Å; L139-I141 HydrophobicContact CD1-CD1 4.29Å; L139-I141 PolarHBondContact O-N 3.44Å; L139-I141 VanDerWaalsContact O-N 3.12Å; L139-Y165 PolarHBondContact O-OH 2.83Å
140E78.7Confident76.2Confident40 Ų4051.4 Ų51.419%0.18723%0.226CC..THydrogen-bonded Turntrans51.436.3-175.9-59.4178.898.100112.2W39 R47 W136 Y137 F138 Y165W39-E140 HydrophobicContact CH2-CG 4.49Å; R47-E140 IonicContact CZ-OE2 2.75Å; R47-E140 VanDerWaalsContact CZ-OE2 3.32Å; R47-E140 IonicContact NE-OE2 3.22Å; R47-E140 PolarHBondContact NE-OE2 2.97Å; R47-E140 IonicContact NH2-OE1 3.52Å; R47-E140 PolarHBondContact NH2-OE1 3.47Å; R47-E140 IonicContact NH2-OE2 2.73Å; R47-E140 PolarHBondContact NH2-OE2 3.31Å; W136-E140 PolarHBondContact O-N 2.93Å; Y137-E140 PolarHBondContact O-N 3.38Å; F138-E140 PolarHBondContact O-N 2.71Å; E140-Y165 WeakPolarHBondContact OE2-CE2 3.42Å; E140-Y165 PolarHBondContact OE2-OH 3.26Å
141I79.4Confident76Confident11 Ų1150 Ų506%0.05622%0.216CC..  trans-65.5145.5174.8-87.6166.8000110.1K119 V120 A122 W136 L139 F143K119-I141 HydrophobicContact CB-CG1 4.49Å; K119-I141 HydrophobicContact CD-CG1 4.11Å; V120-I141 HydrophobicContact CG1-CD1 4.08Å; V120-I141 HydrophobicContact CG1-CG2 4.31Å; V120-I141 WeakPolarHBondContact O-CG2 3.38Å; A122-I141 HydrophobicContact CB-CG2 4.11Å; W136-I141 HydrophobicContact CB-CB 3.99Å; W136-I141 HydrophobicContact CB-CD1 3.74Å; W136-I141 HydrophobicContact CB-CG1 4.42Å; W136-I141 HydrophobicContact CB-CG2 4.1Å; W136-I141 HydrophobicContact CD2-CD1 4.21Å; W136-I141 HydrophobicContact CG-CD1 3.46Å; W136-I141 VanDerWaalsContact CG-CD1 3.46Å; W136-I141 HydrophobicContact CG-CG2 4.42Å; W136-I141 WeakPolarHBondContact O-CB 3.36Å; W136-I141 PolarHBondContact O-N 3.26Å; L139-I141 HydrophobicContact CB-CD1 4.28Å; L139-I141 HydrophobicContact CB-CG1 4.29Å; L139-I141 HydrophobicContact CD1-CD1 4.29Å; L139-I141 PolarHBondContact O-N 3.44Å; L139-I141 VanDerWaalsContact O-N 3.12Å; I141-F143 HydrophobicContact CG2-CE1 4.37Å; I141-F143 HydrophobicContact CG2-CE2 4.39Å; I141-F143 HydrophobicContact CG2-CZ 4.24Å; I141-F143 VanDerWaalsContact O-CD2 3.29Å; I141-F143 WeakPolarHBondContact O-CD2 3.43Å; I141-F143 PolarHBondContact O-N 3.23Å
142V76.1Confident75.3Confident1 Ų156.4 Ų56.41%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-84.4113.9-175.7-172.20000109.6L121 A122 V155 F172L121-V142 HydrophobicContact CD2-CB 3.49Å; L121-V142 VanDerWaalsContact CD2-CB 3.49Å; L121-V142 HydrophobicContact CD2-CG1 3.42Å; L121-V142 VanDerWaalsContact CD2-CG1 3.42Å; L121-V142 HydrophobicContact CD2-CG2 4.43Å; A122-V142 PolarHBondContact N-O 2.87Å; V142-V155 HydrophobicContact CG1-CB 4.23Å; V142-V155 HydrophobicContact CG1-CG1 4.5Å; V142-V155 HydrophobicContact CG1-CG2 3.68Å; V142-F172 HydrophobicContact CG2-CE2 4.32Å; V142-F172 HydrophobicContact CG2-CZ 4.48Å
143F77.6Confident74.8Confident33 Ų3359.4 Ų59.415%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-99.2122178.4-66.3-77.1000111.4A122 K124 A127 W136 I141A122-F143 HydrophobicContact CB-CD1 3.94Å; A122-F143 HydrophobicContact CB-CE1 4.05Å; A122-F143 CarbonylContact O-C 3.54Å; A122-F143 WeakPolarHBondContact O-CA 3.43Å; K124-F143 HydrophobicContact CB-CB 4.49Å; A127-F143 HydrophobicContact CB-CD1 3.78Å; A127-F143 HydrophobicContact CB-CD2 4.37Å; A127-F143 HydrophobicContact CB-CE1 3.49Å; A127-F143 VanDerWaalsContact CB-CE1 3.49Å; A127-F143 HydrophobicContact CB-CE2 4.13Å; A127-F143 HydrophobicContact CB-CG 4.2Å; A127-F143 HydrophobicContact CB-CZ 3.67Å; W136-F143 HydrophobicContact CB-CE1 4.36Å; W136-F143 HydrophobicContact CB-CZ 3.69Å; W136-F143 HydrophobicContact CE3-CE1 4.13Å; I141-F143 HydrophobicContact CG2-CE1 4.37Å; I141-F143 HydrophobicContact CG2-CE2 4.39Å; I141-F143 HydrophobicContact CG2-CZ 4.24Å; I141-F143 VanDerWaalsContact O-CD2 3.29Å; I141-F143 WeakPolarHBondContact O-CD2 3.43Å; I141-F143 PolarHBondContact O-N 3.23Å
144C70.9Confident74.3Confident25 Ų2562.1 Ų62.117%0.16928%0.276CS..EExtended strand (participates in β ladder)trans-101.5136.7179.3-600000111.7A122 K124A122-C144 PolarHBondContact O-N 3.23Å; K124-C144 PolarHBondContact N-O 2.97Å
145K67.4Low73.7Confident107 Ų10757.5 Ų57.547%0.46526%0.26SS..  trans-87.3-6.9172.3-66.6-178.2-168171.30113K124 K147 E150 D151K124-K145 HydrophobicContact CB-CG 4.29Å; K124-K145 HydrophobicContact CD-CD 4.26Å; K124-K145 HydrophobicContact CD-CG 3.65Å; K145-K147 VanDerWaalsContact C-N 3.33Å; K145-E150 VanDerWaalsContact CD-OE2 3.32Å; K145-E150 WeakPolarHBondContact CD-OE2 3.46Å; K145-E150 IonicContact NZ-OE2 2.74Å; K145-E150 PolarHBondContact NZ-OE2 2.79Å; K145-D151 PolarHBondContact N-OD1 2.79Å; K145-D151 PolarHBondContact N-OD2 3.46Å
146R65.5Low73.1Confident40 Ų4058.4 Ų58.415%0.15127%0.268CS..SBendtrans66.331.6-175.5-51-171.5165.5134.3-26.4113.8D151 S366 Y368R146-D151 WeakPolarHBondContact CA-OD2 3.43Å; R146-D151 PolarHBondContact N-OD2 3.3Å; R146-S366 PolarHBondContact NH1-OG 2.64Å; R146-S366 VanDerWaalsContact NH2-CB 3.25Å; R146-Y368 HydrophobicContact CB-CD1 4.29Å; R146-Y368 HydrophobicContact CB-CD2 3.85Å; R146-Y368 HydrophobicContact CB-CE1 3.9Å; R146-Y368 HydrophobicContact CB-CE2 3.47Å; R146-Y368 VanDerWaalsContact CB-CE2 3.47Å; R146-Y368 HydrophobicContact CB-CG 4.25Å; R146-Y368 VanDerWaalsContact CD-CG 3.45Å; R146-Y368 HydrophobicContact CG-CD1 4.44Å; R146-Y368 HydrophobicContact CG-CE1 4.37Å; R146-Y368 HydrophobicContact CG-CG 4.5Å; R146-Y368 WeakPolarHBondContact O-CE2 3.33Å; R146-Y368 PolarHBondContact O-OH 2.86Å
147K66.6Low72.6Confident124 Ų12462.5 Ų62.554%0.53929%0.288SS..  trans-118.5111.8168.6-74.4-177.7177.8-1750106.5K145 E149 E150 D151K145-K147 VanDerWaalsContact C-N 3.33Å; K147-E149 VanDerWaalsContact C-N 3.29Å; K147-E149 PolarHBondContact O-N 3.02Å; K147-E150 HydrophobicContact CB-CB 4.46Å; K147-E150 WeakPolarHBondContact CD-OE1 3.19Å; K147-E150 IonicContact NZ-OE1 3.3Å; K147-E150 PolarHBondContact O-N 3.27Å; K147-D151 PolarHBondContact N-OD2 3.08Å; K147-D151 VanDerWaalsContact O-CB 3.29Å; K147-D151 WeakPolarHBondContact O-CB 2.99Å; K147-D151 VanDerWaalsContact O-CG 3.23Å; K147-D151 PolarHBondContact O-N 2.84Å
148W64.3Low72.1Confident83 Ų8356 Ų5631%0.31427%0.266SS..Hα-helixtrans-53.6-44.4-171.4175.4-110.8000113.2E150 D151 R152 K210 V214W148-E150 PolarHBondContact O-N 3.37Å; W148-D151 PolarHBondContact O-N 3.37Å; W148-R152 HydrophobicContact CZ2-CB 4.42Å; W148-R152 HydrophobicContact CZ2-CG 4.3Å; W148-R152 WeakPolarHBondContact O-CB 3.43Å; W148-R152 PolarHBondContact O-N 3.37Å; W148-K210 HydrophobicContact CE3-CB 4.37Å; W148-K210 HydrophobicContact CH2-CB 3.6Å; W148-K210 WeakPolarHBondContact CH2-O 3.43Å; W148-K210 HydrophobicContact CZ2-CB 3.95Å; W148-K210 HydrophobicContact CZ2-CD 4.33Å; W148-K210 HydrophobicContact CZ3-CB 3.84Å; W148-V214 HydrophobicContact CH2-CB 4.43Å; W148-V214 HydrophobicContact CH2-CG2 3.57Å; W148-V214 HydrophobicContact CZ2-CG2 4.17Å
149E66.6Low71.7Confident148 Ų14854.9 Ų54.969%0.69226%0.261SS*.Hα-helixtrans-60.8-44.4-178.5-63.3-54.6139.800113.1K147K147-E149 VanDerWaalsContact C-N 3.29Å; K147-E149 PolarHBondContact O-N 3.02Å
150E66.3Low71.5Confident73 Ų7359.5 Ų59.534%0.34128%0.283SS..Hα-helixtrans-77.8-35.2178.3-68.3-179.7-135.100112.2K145 K147 W148 T153 T154K145-E150 VanDerWaalsContact CD-OE2 3.32Å; K145-E150 WeakPolarHBondContact CD-OE2 3.46Å; K145-E150 IonicContact NZ-OE2 2.74Å; K145-E150 PolarHBondContact NZ-OE2 2.79Å; K147-E150 HydrophobicContact CB-CB 4.46Å; K147-E150 WeakPolarHBondContact CD-OE1 3.19Å; K147-E150 IonicContact NZ-OE1 3.3Å; K147-E150 PolarHBondContact O-N 3.27Å; W148-E150 PolarHBondContact O-N 3.37Å; E150-T153 PolarHBondContact O-OG1 3.02Å; E150-T153 VanDerWaalsContact O-OG1 3.08Å; E150-T154 PolarHBondContact O-N 3.28Å; E150-T154 PolarHBondContact O-OG1 3.18Å
151D69.9Low71.1Confident14 Ų1462.5 Ų62.58%0.07530%0.295CS..Hα-helixtrans-75.1-33.7-176.1-70.8-23.3000111.3K145 R146 K147 W148 T153 T154 V155K145-D151 PolarHBondContact N-OD1 2.79Å; K145-D151 PolarHBondContact N-OD2 3.46Å; R146-D151 WeakPolarHBondContact CA-OD2 3.43Å; R146-D151 PolarHBondContact N-OD2 3.3Å; K147-D151 PolarHBondContact N-OD2 3.08Å; K147-D151 VanDerWaalsContact O-CB 3.29Å; K147-D151 WeakPolarHBondContact O-CB 2.99Å; K147-D151 VanDerWaalsContact O-CG 3.23Å; K147-D151 PolarHBondContact O-N 2.84Å; W148-D151 PolarHBondContact O-N 3.37Å; D151-T153 VanDerWaalsContact C-N 3.35Å; D151-T153 PolarHBondContact O-N 3.14Å; D151-T154 PolarHBondContact O-N 3.3Å; D151-V155 WeakPolarHBondContact O-CB 3.48Å; D151-V155 WeakPolarHBondContact O-CG2 3.39Å; D151-V155 PolarHBondContact O-N 3.22Å
152R70.9Confident70.6Confident137 Ų13762 Ų6252%0.51729%0.293SS..Hα-helixtrans-58.5-46.9-179-178.2-178.4-179.7-173.32.4111.8W148 A156 V214W148-R152 HydrophobicContact CZ2-CB 4.42Å; W148-R152 HydrophobicContact CZ2-CG 4.3Å; W148-R152 WeakPolarHBondContact O-CB 3.43Å; W148-R152 PolarHBondContact O-N 3.37Å; R152-A156 VanDerWaalsContact O-CB 3.25Å; R152-A156 WeakPolarHBondContact O-CB 3.04Å; R152-A156 PolarHBondContact O-N 3.43Å; R152-V214 HydrophobicContact CG-CG2 4.47Å
153T71.4Confident70.1Confident79 Ų7967.3 Ų67.349%0.48531%0.313SS..Hα-helixtrans-69.1-45.218051.80000111.1E150 D151 A156 Q157E150-T153 PolarHBondContact O-OG1 3.02Å; E150-T153 VanDerWaalsContact O-OG1 3.08Å; D151-T153 VanDerWaalsContact C-N 3.35Å; D151-T153 PolarHBondContact O-N 3.14Å; T153-A156 PolarHBondContact O-N 2.83Å; T153-Q157 WeakPolarHBondContact O-CB 3.48Å; T153-Q157 VanDerWaalsContact O-CG 3.3Å; T153-Q157 WeakPolarHBondContact O-CG 3.43Å; T153-Q157 PolarHBondContact O-N 2.7Å
154T72.3Confident69.6Low57 Ų5771.1 Ų71.135%0.3534%0.335SS..Hα-helixtrans-62.7-44.7179.2-540000112E150 D151 S158E150-T154 PolarHBondContact O-N 3.28Å; E150-T154 PolarHBondContact O-OG1 3.18Å; D151-T154 PolarHBondContact O-N 3.3Å; T154-S158 WeakPolarHBondContact O-CB 3.35Å; T154-S158 PolarHBondContact O-N 3.26Å; T154-S158 PolarHBondContact O-OG 2.87Å
155V72.6Confident69.3Low13 Ų1370.6 Ų70.68%0.07933%0.329CS..Hα-helixtrans-65.6-47.9178.1171.40000109.9L121 V142 D151 Q157 S158 L159 V214L121-V155 HydrophobicContact CD2-CG2 4.38Å; V142-V155 HydrophobicContact CG1-CB 4.23Å; V142-V155 HydrophobicContact CG1-CG1 4.5Å; V142-V155 HydrophobicContact CG1-CG2 3.68Å; D151-V155 WeakPolarHBondContact O-CB 3.48Å; D151-V155 WeakPolarHBondContact O-CG2 3.39Å; D151-V155 PolarHBondContact O-N 3.22Å; V155-Q157 PolarHBondContact O-N 2.94Å; V155-S158 PolarHBondContact O-N 3.47Å; V155-L159 HydrophobicContact CG1-CD1 3.53Å; V155-L159 HydrophobicContact CG1-CG 4.09Å; V155-L159 WeakPolarHBondContact O-CB 3.4Å; V155-L159 WeakPolarHBondContact O-CG 3.27Å; V155-L159 PolarHBondContact O-N 3.27Å; V155-V214 HydrophobicContact CG1-CG1 4.23Å
156A72.8Confident68.7Low22 Ų2267.2 Ų67.218%0.18232%0.318CS..Hα-helixtrans-59.1-47.1178.600000112.1R152 T153 S158 L159 Q160R152-A156 VanDerWaalsContact O-CB 3.25Å; R152-A156 WeakPolarHBondContact O-CB 3.04Å; R152-A156 PolarHBondContact O-N 3.43Å; T153-A156 PolarHBondContact O-N 2.83Å; A156-S158 VanDerWaalsContact C-N 3.33Å; A156-S158 PolarHBondContact O-N 3.09Å; A156-L159 PolarHBondContact O-N 3.46Å; A156-Q160 WeakPolarHBondContact O-CG 3.41Å; A156-Q160 PolarHBondContact O-N 3.44Å
157Q73.8Confident68.2Low114 Ų11467.4 Ų67.453%0.53332%0.321SS..Hα-helixtrans-62-39.8177-73.2176.3-300112.4T153 V155 Q160 K161T153-Q157 WeakPolarHBondContact O-CB 3.48Å; T153-Q157 VanDerWaalsContact O-CG 3.3Å; T153-Q157 WeakPolarHBondContact O-CG 3.43Å; T153-Q157 PolarHBondContact O-N 2.7Å; V155-Q157 PolarHBondContact O-N 2.94Å; Q157-Q160 PolarHBondContact O-N 2.97Å; Q157-K161 WeakPolarHBondContact O-CG 3.35Å; Q157-K161 PolarHBondContact O-N 2.86Å; Q157-K161 VanDerWaalsContact O-N 3.12Å
158S72.4Confident67.6Low24 Ų2466.5 Ų66.517%0.16832%0.322CS..Hα-helixtrans-72.5-36.7-179.9-53.50000111.9T154 V155 A156 K161 L162T154-S158 WeakPolarHBondContact O-CB 3.35Å; T154-S158 PolarHBondContact O-N 3.26Å; T154-S158 PolarHBondContact O-OG 2.87Å; V155-S158 PolarHBondContact O-N 3.47Å; A156-S158 VanDerWaalsContact C-N 3.33Å; A156-S158 PolarHBondContact O-N 3.09Å; S158-K161 PolarHBondContact O-N 3.46Å; S158-L162 WeakPolarHBondContact O-CG 3.34Å; S158-L162 PolarHBondContact O-N 3.27Å; S158-L162 VanDerWaalsContact O-N 3.07Å
159L73Confident67.2Low0 Ų067.6 Ų67.60%033%0.326CS..Hα-helixtrans-67.1-36.3173.8-68.1170.8000112V155 A156 L162 R163 F172 T215 N218 L219V155-L159 HydrophobicContact CG1-CD1 3.53Å; V155-L159 HydrophobicContact CG1-CG 4.09Å; V155-L159 WeakPolarHBondContact O-CB 3.4Å; V155-L159 WeakPolarHBondContact O-CG 3.27Å; V155-L159 PolarHBondContact O-N 3.27Å; A156-L159 PolarHBondContact O-N 3.46Å; L159-L162 HydrophobicContact CD2-CD1 4.08Å; L159-L162 WeakPolarHBondContact O-CB 3.41Å; L159-L162 PolarHBondContact O-N 3.33Å; L159-R163 PolarHBondContact O-N 2.97Å; L159-F172 HydrophobicContact CD2-CE1 4.43Å; L159-F172 HydrophobicContact CD2-CE2 4.1Å; L159-F172 HydrophobicContact CD2-CZ 3.93Å; L159-T215 HydrophobicContact CD1-CG2 4.46Å; L159-T215 HydrophobicContact CD2-CG2 4.4Å; L159-N218 HydrophobicContact CB-CB 3.84Å; L159-N218 HydrophobicContact CD1-CB 3.84Å; L159-L219 HydrophobicContact CB-CD2 4.34Å; L159-L219 HydrophobicContact CD2-CD1 4.03Å; L159-L219 HydrophobicContact CD2-CD2 3.89Å; L159-L219 HydrophobicContact CD2-CG 4.03Å
160Q72.4Confident66.8Low104 Ų10460.8 Ų60.849%0.48629%0.294SS..Hα-helixtrans-62.3-43.4171.9-74.5173.7-3.100111.4A156 Q157 L162 R163A156-Q160 WeakPolarHBondContact O-CG 3.41Å; A156-Q160 PolarHBondContact O-N 3.44Å; Q157-Q160 PolarHBondContact O-N 2.97Å; Q160-L162 PolarHBondContact O-N 3.18Å; Q160-R163 VanDerWaalsContact O-CB 3.29Å; Q160-R163 WeakPolarHBondContact O-CB 3.45Å; Q160-R163 PolarHBondContact O-N 2.9Å
161K70.8Confident66.4Low103 Ų10358 Ų5845%0.44828%0.282SS..Hα-helixtrans-62.4-29174.6-70173.3-173.1176.80113.4Q157 S158 R163 D164 Y165Q157-K161 WeakPolarHBondContact O-CG 3.35Å; Q157-K161 PolarHBondContact O-N 2.86Å; Q157-K161 VanDerWaalsContact O-N 3.12Å; S158-K161 PolarHBondContact O-N 3.46Å; K161-R163 VanDerWaalsContact C-N 3.29Å; K161-D164 PolarHBondContact O-N 2.87Å; K161-Y165 WeakPolarHBondContact O-CD2 3.4Å
162L68.6Low66Low2 Ų257.4 Ų57.41%0.0128%0.278CS..Hα-helixtrans-70.6-23.2174.8-74.6167.7000112.7K119 S158 L159 Q160 D164 Y165 W170 F172K119-L162 HydrophobicContact CD-CD2 4.25Å; K119-L162 HydrophobicContact CG-CD2 4.02Å; S158-L162 WeakPolarHBondContact O-CG 3.34Å; S158-L162 PolarHBondContact O-N 3.27Å; S158-L162 VanDerWaalsContact O-N 3.07Å; L159-L162 HydrophobicContact CD2-CD1 4.08Å; L159-L162 WeakPolarHBondContact O-CB 3.41Å; L159-L162 PolarHBondContact O-N 3.33Å; Q160-L162 PolarHBondContact O-N 3.18Å; L162-D164 PolarHBondContact O-N 2.73Å; L162-Y165 HydrophobicContact CD2-CD2 4.02Å; L162-Y165 HydrophobicContact CD2-CE2 4.02Å; L162-Y165 PolarHBondContact O-N 2.92Å; L162-W170 HydrophobicContact CB-CH2 4.45Å; L162-W170 HydrophobicContact CB-CZ2 4.47Å; L162-W170 HydrophobicContact CD1-CZ3 4.23Å; L162-F172 HydrophobicContact CD1-CD2 4.38Å; L162-F172 HydrophobicContact CD1-CE2 4.15Å
163R66.8Low66Low112 Ų11251.7 Ų51.742%0.42326%0.258SS..Hα-helixtrans-63.9-32.1172.4-60.5-172167.4-176.2-10.2112.2L159 Q160 K161 Y165 N218 R220 T222L159-R163 PolarHBondContact O-N 2.97Å; Q160-R163 VanDerWaalsContact O-CB 3.29Å; Q160-R163 WeakPolarHBondContact O-CB 3.45Å; Q160-R163 PolarHBondContact O-N 2.9Å; K161-R163 VanDerWaalsContact C-N 3.29Å; R163-Y165 VanDerWaalsContact C-N 3.26Å; R163-Y165 PolarHBondContact O-N 2.89Å; R163-N218 PolarHBondContact NE-O 3.39Å; R163-N218 PolarHBondContact NH2-O 3.11Å; R163-R220 PolarHBondContact NH2-O 3.38Å; R163-T222 WeakPolarHBondContact CG-OG1 3.37Å
164D66Low66Low112 Ų11248.4 Ų48.460%0.59924%0.237SC*.THydrogen-bonded Turntrans-85.311.4-178.5-58.3-29.6000113.6R47 K161 L162R47-D164 PolarHBondContact NH1-O 2.98Å; K161-D164 PolarHBondContact O-N 2.87Å; L162-D164 PolarHBondContact O-N 2.73Å
165Y64.9Low66Low15 Ų1547.2 Ų47.26%0.05923%0.227CC..  trans-77.9133.5-177.9-102.5-106.3000112R47 I51 L139 E140 K161 L162 R163 E167R47-Y165 HydrophobicContact CB-CE1 4.04Å; R47-Y165 HydrophobicContact CG-CE1 3.91Å; R47-Y165 HydrophobicContact CG-CE2 4.37Å; R47-Y165 VanDerWaalsContact NE-CE2 3.31Å; I51-Y165 HydrophobicContact CD1-CD1 4.33Å; I51-Y165 HydrophobicContact CD1-CE1 4.3Å; L139-Y165 PolarHBondContact O-OH 2.83Å; E140-Y165 WeakPolarHBondContact OE2-CE2 3.42Å; E140-Y165 PolarHBondContact OE2-OH 3.26Å; K161-Y165 WeakPolarHBondContact O-CD2 3.4Å; L162-Y165 HydrophobicContact CD2-CD2 4.02Å; L162-Y165 HydrophobicContact CD2-CE2 4.02Å; L162-Y165 PolarHBondContact O-N 2.92Å; R163-Y165 VanDerWaalsContact C-N 3.26Å; R163-Y165 PolarHBondContact O-N 2.89Å; Y165-E167 VanDerWaalsContact C-N 3.33Å; Y165-E167 PolarHBondContact O-N 3.27Å
166P54.1Low65.4Low35 Ų3546.9 Ų46.923%0.22722%0.224CC..SBendtrans-78.9-8.6-172.230.9-36.5000114.9Q44 R47 K48Q44-P166 HydrophobicContact CB-CB 4.4Å; Q44-P166 HydrophobicContact CB-CG 4.22Å; Q44-P166 HydrophobicContact CG-CB 4.39Å; Q44-P166 HydrophobicContact CG-CG 4.44Å; R47-P166 HydrophobicContact CB-CG 4.49Å; K48-P166 HydrophobicContact CG-CG 4.05Å
167E56Low64.8Low44 Ų4446 Ų4621%0.20622%0.216CC..  trans-104.6114.7176.3-69.6-163.5172.100110I51 R52 Y165 Y169I51-E167 HydrophobicContact CD1-CB 4.46Å; I51-E167 HydrophobicContact CD1-CG 4.22Å; R52-E167 IonicContact NH2-OE1 3.25Å; Y165-E167 VanDerWaalsContact C-N 3.33Å; Y165-E167 PolarHBondContact O-N 3.27Å; E167-Y169 PolarHBondContact O-N 3.32Å
168N52.9Low63.9Low106 Ų10642 Ų4257%0.56721%0.206SC*.SBendtrans-7518.6-172-71.1-26.7000115.4N89N89-N168 VanDerWaalsContact CG-O 3.26Å; N89-N168 PolarHBondContact N-O 3.44Å; N89-N168 PolarHBondContact OD1-O 3.09Å
169Y55.8Low63.2Low105 Ų10541.6 Ų41.641%0.41220%0.203SC..  trans-138.544.1-172.6-46.5-54.4000113.1G86 K87 N89 V114 S117 E167G86-Y169 WeakPolarHBondContact O-CD1 3.44Å; G86-Y169 VanDerWaalsContact O-CG 3.25Å; K87-Y169 HydrophobicContact CB-CE1 4.33Å; K87-Y169 WeakPolarHBondContact O-CD1 3.38Å; K87-Y169 WeakPolarHBondContact O-CE1 3.32Å; N89-Y169 WeakPolarHBondContact OD1-CA 3.24Å; N89-Y169 PolarHBondContact OD1-N 3.45Å; V114-Y169 WeakPolarHBondContact CB-O 3.24Å; V114-Y169 WeakPolarHBondContact CG1-O 3.5Å; S117-Y169 PolarHBondContact OG-O 3.05Å; E167-Y169 PolarHBondContact O-N 3.32Å
170W58.9Low62.7Low5 Ų542.8 Ų42.82%0.01921%0.207CC..  trans-86142.8175.460.9-85.6000111N89 A90 S117 K119 L162 F172 L219 T222N89-W170 PolarHBondContact OD1-N 3.06Å; N89-W170 PolarHBondContact OD1-NE1 3.45Å; A90-W170 PolarHBondContact N-O 3.19Å; S117-W170 VanDerWaalsContact O-CB 3.22Å; S117-W170 WeakPolarHBondContact O-CB 3.16Å; K119-W170 HydrophobicContact CG-CE3 4.35Å; L162-W170 HydrophobicContact CB-CH2 4.45Å; L162-W170 HydrophobicContact CB-CZ2 4.47Å; L162-W170 HydrophobicContact CD1-CZ3 4.23Å; W170-F172 HydrophobicContact CE3-CB 4.08Å; W170-F172 HydrophobicContact CE3-CD2 4.39Å; W170-F172 HydrophobicContact CH2-CB 4.47Å; W170-F172 HydrophobicContact CZ3-CB 3.53Å; W170-F172 AromaticContact CZ3-CD2 3.72Å; W170-F172 HydrophobicContact CZ3-CD2 3.72Å; W170-F172 AromaticContact CZ3-CG 3.93Å; W170-F172 HydrophobicContact CZ3-CG 3.93Å; W170-L219 HydrophobicContact CH2-CD1 3.59Å; W170-L219 HydrophobicContact CH2-CD2 3.41Å; W170-L219 VanDerWaalsContact CH2-CD2 3.41Å; W170-L219 HydrophobicContact CH2-CG 4.07Å; W170-L219 HydrophobicContact CZ2-CD2 3.9Å; W170-L219 HydrophobicContact CZ3-CD1 4.19Å; W170-T222 HydrophobicContact CZ2-CG2 4.03Å
171K58.3Low62.1Low16 Ų1640.7 Ų40.77%0.0720%0.197CC..EExtended strand (participates in β ladder)trans-108.9122.7175.6-73.4-178176.5178.80109.3A90 V92 V114 K119A90-K171 WeakPolarHBondContact O-CA 3.36Å; V92-K171 HydrophobicContact CG2-CB 4.1Å; V92-K171 HydrophobicContact CG2-CD 4.24Å; V92-K171 HydrophobicContact CG2-CG 4.29Å; V114-K171 HydrophobicContact CG2-CD 3.8Å; V114-K171 HydrophobicContact CG2-CG 4.27Å; K119-K171 PolarHBondContact N-O 3.44Å; K119-K171 VanDerWaalsContact O-O 3.06Å
172F62Low61.7Low0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-95.9102.8176-159-108.1000110.5A90 V91 V92 K119 L121 V142 L159 L162 W170 L174 T215 L219A90-F172 PolarHBondContact O-N 3.18Å; V91-F172 CarbonylContact C-O 3.49Å; V91-F172 HydrophobicContact CG1-CD1 4.48Å; V91-F172 HydrophobicContact CG2-CB 4.37Å; V92-F172 PolarHBondContact N-O 3.4Å; K119-F172 HydrophobicContact CB-CD2 3.85Å; K119-F172 HydrophobicContact CB-CE2 4.32Å; K119-F172 CarbonylContact O-C 3.54Å; K119-F172 WeakPolarHBondContact O-CA 3.41Å; L121-F172 HydrophobicContact CD1-CE1 3.92Å; L121-F172 HydrophobicContact CD1-CZ 4.12Å; L121-F172 HydrophobicContact CD2-CZ 3.94Å; L121-F172 HydrophobicContact CG-CE1 3.79Å; L121-F172 HydrophobicContact CG-CZ 3.56Å; V142-F172 HydrophobicContact CG2-CE2 4.32Å; V142-F172 HydrophobicContact CG2-CZ 4.48Å; L159-F172 HydrophobicContact CD2-CE1 4.43Å; L159-F172 HydrophobicContact CD2-CE2 4.1Å; L159-F172 HydrophobicContact CD2-CZ 3.93Å; L162-F172 HydrophobicContact CD1-CD2 4.38Å; L162-F172 HydrophobicContact CD1-CE2 4.15Å; W170-F172 HydrophobicContact CE3-CB 4.08Å; W170-F172 HydrophobicContact CE3-CD2 4.39Å; W170-F172 HydrophobicContact CH2-CB 4.47Å; W170-F172 HydrophobicContact CZ3-CB 3.53Å; W170-F172 AromaticContact CZ3-CD2 3.72Å; W170-F172 HydrophobicContact CZ3-CD2 3.72Å; W170-F172 AromaticContact CZ3-CG 3.93Å; W170-F172 HydrophobicContact CZ3-CG 3.93Å; F172-L174 PolarHBondContact O-N 2.95Å; F172-T215 HydrophobicContact CD1-CG2 3.73Å; F172-T215 HydrophobicContact CE1-CG2 3.55Å; F172-T215 HydrophobicContact CZ-CG2 4.49Å; F172-L219 HydrophobicContact CG-CD1 4.48Å
173L70.9Confident61.5Low18 Ų1841.5 Ų41.59%0.09421%0.212CC..EExtended strand (participates in β ladder)trans-78.7119.5177.3-173.563.4000110.3V92 L94 K119 V120 L121 Y175V92-L173 HydrophobicContact CB-CD1 4Å; V92-L173 HydrophobicContact CG1-CD1 3.75Å; L94-L173 HydrophobicContact CB-CD1 3.7Å; L94-L173 HydrophobicContact CD2-CD1 4.18Å; K119-L173 PolarHBondContact O-N 3.45Å; V120-L173 HydrophobicContact CB-CB 4.28Å; V120-L173 HydrophobicContact CG2-CB 4.13Å; V120-L173 HydrophobicContact CG2-CD2 4.27Å; V120-L173 HydrophobicContact CG2-CG 4.38Å; L121-L173 PolarHBondContact N-O 3.43Å; L173-Y175 HydrophobicContact CD2-CE2 3.78Å; L173-Y175 WeakPolarHBondContact CD2-OH 3.4Å; L173-Y175 HydrophobicContact CG-CE2 3.98Å
174L71.7Confident61.3Low10 Ų1043.7 Ų43.75%0.05223%0.225CC..EExtended strand (participates in β ladder)trans-122.4125.6178.6-174.461.5000110.2V91 V92 I93 L94 L121 F172 C176 F212V91-L174 HydrophobicContact CG1-CB 4.45Å; V92-L174 PolarHBondContact O-N 3.18Å; I93-L174 WeakPolarHBondContact CA-O 3.49Å; L94-L174 PolarHBondContact N-O 2.85Å; L121-L174 HydrophobicContact CB-CD1 4.49Å; L121-L174 HydrophobicContact CD1-CD1 3.24Å; L121-L174 HydrophobicContact CG-CD1 4.25Å; F172-L174 PolarHBondContact O-N 2.95Å; L174-C176 WeakPolarHBondContact CD2-SG 3.13Å; L174-F212 HydrophobicContact CD2-CB 4.3Å; L174-F212 HydrophobicContact CD2-CD2 3.69Å
175Y72.3Confident61Low32 Ų3239.3 Ų39.313%0.12520%0.2CC..  trans-9991169.9-63.4-76000108.7L94 H96 D101 F102 V120 L173 E177 G178L94-Y175 HydrophobicContact CB-CD1 4.23Å; L94-Y175 HydrophobicContact CB-CE1 3.91Å; L94-Y175 HydrophobicContact CD2-CE1 3.91Å; L94-Y175 HydrophobicContact CG-CE1 4.15Å; L94-Y175 WeakPolarHBondContact O-CD1 3.42Å; H96-Y175 HydrophobicContact CB-CD1 3.55Å; H96-Y175 HydrophobicContact CB-CE1 4.12Å; H96-Y175 HydrophobicContact CB-CG 4.13Å; H96-Y175 AromaticContact CG-CD1 3.72Å; H96-Y175 AromaticContact CG-CE1 3.99Å; H96-Y175 AromaticContact ND1-CE1 3.81Å; D101-Y175 HydrophobicContact CB-CE1 4.37Å; F102-Y175 WeakPolarHBondContact CA-OH 3.41Å; F102-Y175 PolarHBondContact N-OH 3.4Å; V120-Y175 HydrophobicContact CG2-CE2 4.38Å; L173-Y175 HydrophobicContact CD2-CE2 3.78Å; L173-Y175 WeakPolarHBondContact CD2-OH 3.4Å; L173-Y175 HydrophobicContact CG-CE2 3.98Å; Y175-E177 PolarHBondContact O-N 2.96Å; Y175-G178 PolarHBondContact O-N 3.22Å
176C58.3Low61Low5 Ų540.2 Ų40.23%0.03421%0.205CC..THydrogen-bonded Turntrans-66.4-17.3-177.2-62.60000112.8I93 L174 G178 P207 R208 L275 Y279I93-C176 HydrophobicContact CG2-CB 4.37Å; L174-C176 WeakPolarHBondContact CD2-SG 3.13Å; C176-G178 PolarHBondContact O-N 2.76Å; C176-P207 HydrophobicContact CB-CB 4.15Å; C176-P207 CarbonylContact O-C 3.5Å; C176-P207 WeakPolarHBondContact O-CA 3.19Å; C176-R208 PolarHBondContact O-N 3.31Å; C176-L275 HydrophobicContact CB-CD2 4.33Å; C176-Y279 HydrophobicContact CB-CE2 3.85Å; C176-Y279 WeakPolarHBondContact CB-OH 3.44Å
177E60.3Low61.3Low3 Ų344.7 Ų44.71%0.01422%0.223CC..THydrogen-bonded Turntrans-64.2-24.1170.4-65.9-178.3-125.800112.6N95 H96 Y175 T179 H204 L205 Y279N95-E177 WeakPolarHBondContact CA-OE1 3.36Å; N95-E177 WeakPolarHBondContact CB-OE1 3.45Å; H96-E177 PolarHBondContact N-OE1 3.13Å; Y175-E177 PolarHBondContact O-N 2.96Å; E177-T179 PolarHBondContact O-N 2.97Å; E177-H204 IonicContact OE1-CD2 2.8Å; E177-L205 HydrophobicContact CB-CB 4.23Å; E177-L205 HydrophobicContact CG-CB 4.24Å; E177-Y279 HydrophobicContact CG-CE1 3.6Å; E177-Y279 PolarHBondContact N-OH 3.42Å
178G55.7Low61.6Low31 Ų3146.8 Ų46.832%0.3223%0.232SC..  trans70.7-15.5177.300000115.7Y175 C176Y175-G178 PolarHBondContact O-N 3.22Å; C176-G178 PolarHBondContact O-N 2.76Å
179T57.2Low62Low16 Ų1642.5 Ų42.510%0.09821%0.21CC..SBendtrans-151160.4174.953.70000110.6E177E177-T179 PolarHBondContact O-N 2.97Å
180R64.1Low62.5Low24 Ų2438.7 Ų38.79%0.09120%0.196CC..  trans-66.3146.3175.3-68.5-178.2-172167-5.9112.6H96 T182 T360H96-R180 VanDerWaalsContact CD2-CG 3.41Å; H96-R180 WeakPolarHBondContact CD2-CG 3.45Å; H96-R180 VanDerWaalsContact CE1-CG 3.49Å; H96-R180 WeakPolarHBondContact CE1-CG 3.22Å; H96-R180 PolarHBondContact CE1-NE 3.31Å; H96-R180 WeakPolarHBondContact NE2-CG 3.37Å; H96-R180 PolarHBondContact NE2-NE 3.29Å; H96-R180 CarbonylContact O-C 3.58Å; H96-R180 WeakPolarHBondContact O-CA 3.25Å; R180-T182 PolarHBondContact O-N 3.3Å; R180-T360 PolarHBondContact NH1-O 3.2Å; R180-T360 PolarHBondContact NH2-O 2.74Å
181F59.6Low62.8Low60 Ų6044 Ų4426%0.26322%0.221SC..  trans-60.4119.8172.8-172.8-91.7000110.3H96 H186 Y203 L205H96-F181 PolarHBondContact O-N 2.91Å; F181-H186 HydrophobicContact CE2-CB 3.94Å; F181-H186 AromaticContact CE2-CD2 3.56Å; F181-H186 AromaticContact CE2-CG 3.92Å; F181-H186 HydrophobicContact CZ-CB 4.08Å; F181-Y203 WeakPolarHBondContact CD2-O 3.15Å; F181-Y203 WeakPolarHBondContact CE2-O 3.42Å; F181-L205 HydrophobicContact CD2-CD2 4.37Å; F181-L205 HydrophobicContact CD2-CG 4.32Å
182T62.5Low63.1Low27 Ų2745.8 Ų45.817%0.16623%0.234CC..  trans-138.2143.8169.9490000108R180 K184 K185 H186 I362R180-T182 PolarHBondContact O-N 3.3Å; T182-K184 PolarHBondContact O-N 3.06Å; T182-K184 VanDerWaalsContact O-N 3.14Å; T182-K185 PolarHBondContact O-N 2.91Å; T182-K185 VanDerWaalsContact OG1-CB 3.31Å; T182-K185 WeakPolarHBondContact OG1-CB 3.41Å; T182-K185 VanDerWaalsContact OG1-CD 3.26Å; T182-K185 WeakPolarHBondContact OG1-CD 3.09Å; T182-K185 WeakPolarHBondContact OG1-CG 3.19Å; T182-H186 PolarHBondContact O-N 3.48Å; T182-I362 HydrophobicContact CG2-CG2 3.61Å
183P63.5Low63.2Low96 Ų9645.8 Ų45.862%0.62323%0.234SC*.Hα-helixtrans-54.4-38.8-176-26.833.4000113.2H186 Q187P183-H186 PolarHBondContact O-N 2.87Å; P183-Q187 WeakPolarHBondContact O-CG 3.21Å; P183-Q187 PolarHBondContact O-N 3.39Å; P183-Q187 VanDerWaalsContact O-N 3.08Å
184K62.5Low63.1Low157 Ų15750.7 Ų50.768%0.68326%0.256SS*.Hα-helixtrans-62.9-47175.9-64.3-177.2179.7179.10111.9T182 H186 Q187 F188T182-K184 PolarHBondContact O-N 3.06Å; T182-K184 VanDerWaalsContact O-N 3.14Å; K184-H186 VanDerWaalsContact C-N 3.31Å; K184-H186 PolarHBondContact O-N 3.22Å; K184-Q187 PolarHBondContact O-N 3.22Å; K184-F188 WeakPolarHBondContact O-CD2 3.49Å; K184-F188 PolarHBondContact O-N 2.94Å
185K60.6Low62.8Low20 Ų2054.9 Ų54.99%0.08729%0.286CS..Hα-helixtrans-70-29.8179.3-66.6178.6-167.1174.80112.1T182 F188 S189 L205 S365 S366 I370T182-K185 PolarHBondContact O-N 2.91Å; T182-K185 VanDerWaalsContact OG1-CB 3.31Å; T182-K185 WeakPolarHBondContact OG1-CB 3.41Å; T182-K185 VanDerWaalsContact OG1-CD 3.26Å; T182-K185 WeakPolarHBondContact OG1-CD 3.09Å; T182-K185 WeakPolarHBondContact OG1-CG 3.19Å; K185-F188 PolarHBondContact O-N 3.38Å; K185-S189 VanDerWaalsContact O-CB 3.3Å; K185-S189 WeakPolarHBondContact O-CB 3.3Å; K185-S189 PolarHBondContact O-N 3.29Å; K185-L205 HydrophobicContact CB-CD2 4.32Å; K185-S365 PolarHBondContact NZ-O 3.38Å; K185-S365 PolarHBondContact NZ-OG 3.44Å; K185-S366 PolarHBondContact NZ-O 2.92Å; K185-I370 HydrophobicContact CG-CD1 4.45Å
186H63.6Low62.4Low35 Ų3560.2 Ų60.216%0.16231%0.31CS..Hα-helixtrans-63.1-49.9172.4179.9-95.7000111F181 T182 P183 K184 F188 S189 M190 L201 K202 L205F181-H186 HydrophobicContact CE2-CB 3.94Å; F181-H186 AromaticContact CE2-CD2 3.56Å; F181-H186 AromaticContact CE2-CG 3.92Å; F181-H186 HydrophobicContact CZ-CB 4.08Å; T182-H186 PolarHBondContact O-N 3.48Å; P183-H186 PolarHBondContact O-N 2.87Å; K184-H186 VanDerWaalsContact C-N 3.31Å; K184-H186 PolarHBondContact O-N 3.22Å; H186-F188 VanDerWaalsContact C-N 3.32Å; H186-F188 PolarHBondContact O-N 2.78Å; H186-S189 CarbonylContact O-C 3.56Å; H186-S189 WeakPolarHBondContact O-CA 3.39Å; H186-S189 WeakPolarHBondContact O-CB 3.4Å; H186-S189 PolarHBondContact O-N 3.03Å; H186-M190 WeakPolarHBondContact O-CG 3.49Å; H186-M190 PolarHBondContact O-N 2.85Å; H186-L201 PolarHBondContact NE2-O 3.23Å; H186-K202 PolarHBondContact NE2-O 3.42Å; H186-L205 HydrophobicContact CB-CD2 4.14Å
187Q60.9Low62.7Low128 Ų12863.4 Ų63.460%0.59834%0.344SS*.Hα-helixtrans-55.9-44.6174.9-71.9175.7-11.400112.5P183 K184 M190 Q191P183-Q187 WeakPolarHBondContact O-CG 3.21Å; P183-Q187 PolarHBondContact O-N 3.39Å; P183-Q187 VanDerWaalsContact O-N 3.08Å; K184-Q187 PolarHBondContact O-N 3.22Å; Q187-M190 WeakPolarHBondContact O-CB 3.47Å; Q187-M190 PolarHBondContact O-N 3.48Å; Q187-Q191 PolarHBondContact O-N 3.21Å
188F63.1Low63.1Low89 Ų8965.6 Ų65.639%0.3936%0.355SS..Hα-helixtrans-64.2-41.5174.8-69.1-59.7000112.5K184 K185 H186 M190 Q191 V192 I370K184-F188 WeakPolarHBondContact O-CD2 3.49Å; K184-F188 PolarHBondContact O-N 2.94Å; K185-F188 PolarHBondContact O-N 3.38Å; H186-F188 VanDerWaalsContact C-N 3.32Å; H186-F188 PolarHBondContact O-N 2.78Å; F188-M190 PolarHBondContact O-N 2.83Å; F188-Q191 PolarHBondContact O-N 3.32Å; F188-V192 WeakPolarHBondContact O-CG2 3.24Å; F188-V192 PolarHBondContact O-N 2.91Å; F188-I370 HydrophobicContact CD2-CG1 4.31Å; F188-I370 HydrophobicContact CE2-CG1 4.39Å
189S59.7Low63.6Low16 Ų1667.3 Ų67.311%0.11236%0.361CS..Hα-helixtrans-62.8-33175.3-171.50000111.8K185 H186 V192 A193 L206K185-S189 VanDerWaalsContact O-CB 3.3Å; K185-S189 WeakPolarHBondContact O-CB 3.3Å; K185-S189 PolarHBondContact O-N 3.29Å; H186-S189 CarbonylContact O-C 3.56Å; H186-S189 WeakPolarHBondContact O-CA 3.39Å; H186-S189 WeakPolarHBondContact O-CB 3.4Å; H186-S189 PolarHBondContact O-N 3.03Å; S189-V192 PolarHBondContact O-N 2.93Å; S189-A193 WeakPolarHBondContact O-CB 3.4Å; S189-A193 PolarHBondContact O-N 3.16Å; S189-L206 WeakPolarHBondContact O-CD1 3.32Å; S189-L206 WeakPolarHBondContact OG-CB 3.46Å; S189-L206 WeakPolarHBondContact OG-CG 3.33Å; S189-L206 PolarHBondContact OG-N 2.91Å
190M66.5Low64.1Low24 Ų2472.3 Ų72.312%0.11838%0.381CS..Hα-helixtrans-70.6-39.3175.9-67.1-53.1104.900112H186 Q187 F188 V192 A193 E194 K200 L201H186-M190 WeakPolarHBondContact O-CG 3.49Å; H186-M190 PolarHBondContact O-N 2.85Å; Q187-M190 WeakPolarHBondContact O-CB 3.47Å; Q187-M190 PolarHBondContact O-N 3.48Å; F188-M190 PolarHBondContact O-N 2.83Å; M190-V192 VanDerWaalsContact C-N 3.31Å; M190-V192 PolarHBondContact O-N 3.09Å; M190-A193 WeakPolarHBondContact O-CB 3.47Å; M190-A193 PolarHBondContact O-N 3.02Å; M190-E194 WeakPolarHBondContact O-CB 3.32Å; M190-E194 PolarHBondContact O-N 3.37Å; M190-K200 HydrophobicContact SD-CB 3.71Å; M190-K200 HydrophobicContact SD-CG 4.14Å; M190-L201 HydrophobicContact CE-CB 4.33Å; M190-L201 WeakPolarHBondContact CE-O 3.3Å
191Q65.8Low64.3Low117 Ų11771.5 Ų71.555%0.54738%0.379SS..Hα-helixtrans-63-39.2172.8-69.9174.8-6.800111.7Q187 F188 A193 E194 S195Q187-Q191 PolarHBondContact O-N 3.21Å; F188-Q191 PolarHBondContact O-N 3.32Å; Q191-A193 VanDerWaalsContact C-N 3.35Å; Q191-E194 PolarHBondContact O-N 3.04Å; Q191-S195 PolarHBondContact O-N 3.27Å; Q191-S195 PolarHBondContact O-OG 3.05Å
192V64.7Low64.4Low54 Ų5474.4 Ų74.433%0.32739%0.391SS..Hα-helixtrans-70.7-31174.8175.70000112F188 S189 M190 S195 K196 L206F188-V192 WeakPolarHBondContact O-CG2 3.24Å; F188-V192 PolarHBondContact O-N 2.91Å; S189-V192 PolarHBondContact O-N 2.93Å; M190-V192 VanDerWaalsContact C-N 3.31Å; M190-V192 PolarHBondContact O-N 3.09Å; V192-S195 WeakPolarHBondContact CA-OG 3.4Å; V192-S195 PolarHBondContact O-OG 3.18Å; V192-K196 HydrophobicContact CG1-CD 4.19Å; V192-K196 WeakPolarHBondContact O-CB 3.33Å; V192-K196 WeakPolarHBondContact O-CG 3Å; V192-K196 PolarHBondContact O-N 3.4Å; V192-L206 HydrophobicContact CB-CD1 4.41Å; V192-L206 HydrophobicContact CG1-CD1 4.21Å
193A64.8Low64.4Low0 Ų077.4 Ų77.40%040%0.4CS..Hα-helixtrans-66-45.6172.900000110.7S189 M190 Q191 K196 G197 L198 L206S189-A193 WeakPolarHBondContact O-CB 3.4Å; S189-A193 PolarHBondContact O-N 3.16Å; M190-A193 WeakPolarHBondContact O-CB 3.47Å; M190-A193 PolarHBondContact O-N 3.02Å; Q191-A193 VanDerWaalsContact C-N 3.35Å; A193-K196 CarbonylContact O-C 3.53Å; A193-K196 PolarHBondContact O-N 2.95Å; A193-G197 PolarHBondContact O-N 3.3Å; A193-L198 HydrophobicContact CB-CB 4.49Å; A193-L198 PolarHBondContact O-N 3.05Å; A193-L206 HydrophobicContact CB-CD1 3.77Å; A193-L206 HydrophobicContact CB-CD2 4.34Å; A193-L206 HydrophobicContact CB-CG 4.31Å
194E68.1Low64.7Low121 Ų12172.9 Ų72.957%0.56537%0.371SS*.Hα-helixtrans-63.8-43.5179.9-172.7158.3-120.100112M190 Q191 K196 G197 K200M190-E194 WeakPolarHBondContact O-CB 3.32Å; M190-E194 PolarHBondContact O-N 3.37Å; Q191-E194 PolarHBondContact O-N 3.04Å; E194-K196 PolarHBondContact O-N 3.45Å; E194-G197 PolarHBondContact O-N 3.37Å; E194-K200 IonicContact OE1-NZ 3.53Å; E194-K200 PolarHBondContact OE1-NZ 2.91Å; E194-K200 IonicContact OE2-NZ 2.69Å
195S65.3Low64.9Low97 Ų9765.7 Ų65.768%0.67834%0.34SS*.Hα-helixtrans-67.8-21.517665.20000114Q191 V192Q191-S195 PolarHBondContact O-N 3.27Å; Q191-S195 PolarHBondContact O-OG 3.05Å; V192-S195 WeakPolarHBondContact CA-OG 3.4Å; V192-S195 PolarHBondContact O-OG 3.18Å
196K63.3Low65.2Low144 Ų14465.8 Ų65.863%0.62634%0.341SS*.THydrogen-bonded Turntrans-100.31.1177.3-68.7-175.7176.6-171.70113.9V192 A193 E194 L198V192-K196 HydrophobicContact CG1-CD 4.19Å; V192-K196 WeakPolarHBondContact O-CB 3.33Å; V192-K196 WeakPolarHBondContact O-CG 3Å; V192-K196 PolarHBondContact O-N 3.4Å; A193-K196 CarbonylContact O-C 3.53Å; A193-K196 PolarHBondContact O-N 2.95Å; E194-K196 PolarHBondContact O-N 3.45Å; K196-L198 HydrophobicContact CB-CD1 4.11Å; K196-L198 HydrophobicContact CB-CG 4.17Å; K196-L198 HydrophobicContact CD-CD1 4.45Å; K196-L198 PolarHBondContact O-N 3.25Å
197G64.4Low65.6Low73 Ų7364.5 Ų64.575%0.75334%0.336SS*.THydrogen-bonded Turntrans63.622-176.300000114.3A193 E194A193-G197 PolarHBondContact O-N 3.3Å; E194-G197 PolarHBondContact O-N 3.37Å
198L69.2Low66.1Low48 Ų4863.3 Ų63.325%0.25133%0.326SS..PPolyproline II helixtrans-89.8147.4178.7-68.9171.2000110.6A193 K196 L206A193-L198 HydrophobicContact CB-CB 4.49Å; A193-L198 PolarHBondContact O-N 3.05Å; K196-L198 HydrophobicContact CB-CD1 4.11Å; K196-L198 HydrophobicContact CB-CG 4.17Å; K196-L198 HydrophobicContact CD-CD1 4.45Å; K196-L198 PolarHBondContact O-N 3.25Å; L198-L206 HydrophobicContact CD1-CD2 4.45Å
199P65.9Low66.6Low68 Ų6860.5 Ų60.544%0.44232%0.316SS..PPolyproline II helixtrans-63.3139.6179.124-32000111.7L201 Q280P199-L201 PolarHBondContact O-N 2.87Å; P199-Q280 HydrophobicContact CG-CG 4.18Å
200K67.4Low67.2Low121 Ų12164.8 Ų64.853%0.52633%0.333SS..PPolyproline II helixtrans-72.4121.6-178.6-64.7-179.1-177.5-179.30109.5M190 E194M190-K200 HydrophobicContact SD-CB 3.71Å; M190-K200 HydrophobicContact SD-CG 4.14Å; E194-K200 IonicContact OE1-NZ 3.53Å; E194-K200 PolarHBondContact OE1-NZ 2.91Å; E194-K200 IonicContact OE2-NZ 2.69Å
201L68.3Low67.4Low7 Ų765 Ų654%0.03734%0.341CS..PPolyproline II helixtrans-89.1134.2174.4-58.6173.2000109.3H186 M190 P199 H204 L206 Q280 D283H186-L201 PolarHBondContact NE2-O 3.23Å; M190-L201 HydrophobicContact CE-CB 4.33Å; M190-L201 WeakPolarHBondContact CE-O 3.3Å; P199-L201 PolarHBondContact O-N 2.87Å; L201-H204 HydrophobicContact CD1-CB 4.43Å; L201-L206 HydrophobicContact CD1-CD2 4.32Å; L201-Q280 HydrophobicContact CD2-CB 4.34Å; L201-Q280 HydrophobicContact CD2-CG 3.84Å; L201-D283 HydrophobicContact CD2-CB 4.03Å
202K62.5Low67.8Low121 Ų12159.5 Ų59.553%0.52632%0.316SS..SBendtrans-86.5-37.2-176.4-66-178.8-172.4171.20113.2H186 D283 E287H186-K202 PolarHBondContact NE2-O 3.42Å; K202-D283 PolarHBondContact N-OD1 3.21Å; K202-D283 PolarHBondContact N-OD2 2.88Å; K202-E287 IonicContact NZ-OE1 2.94Å; K202-E287 PolarHBondContact NZ-OE1 3.42Å
203Y63.2Low68.5Low90 Ų9059.3 Ų59.335%0.35331%0.309SS..SBendtrans-113.1-11-170.3-61.5-80.5000114F181 D283 Q286 E287F181-Y203 WeakPolarHBondContact CD2-O 3.15Å; F181-Y203 WeakPolarHBondContact CE2-O 3.42Å; Y203-D283 WeakPolarHBondContact CA-OD1 3.48Å; Y203-D283 WeakPolarHBondContact CB-OD1 3.35Å; Y203-D283 PolarHBondContact N-OD1 3.06Å; Y203-Q286 HydrophobicContact CD2-CB 4.11Å; Y203-Q286 HydrophobicContact CG-CB 3.97Å; Y203-E287 HydrophobicContact CD2-CB 4.45Å; Y203-E287 HydrophobicContact CE2-CB 3.81Å; Y203-E287 HydrophobicContact CE2-CG 4.2Å
204H68.6Low69Low0 Ų059.9 Ų59.90%031%0.312CS..SBendtrans-125157.7-179.6-60.188.3000112.9E177 L201 Y279 K282 D283 Q286E177-H204 IonicContact OE1-CD2 2.8Å; L201-H204 HydrophobicContact CD1-CB 4.43Å; H204-Y279 HydrophobicContact CB-CD1 4.02Å; H204-Y279 HydrophobicContact CB-CE1 4.38Å; H204-K282 PolarHBondContact CE1-O 2.64Å; H204-D283 PolarHBondContact N-OD1 3.06Å; H204-D283 IonicContact ND1-OD1 3.6Å; H204-D283 PolarHBondContact ND1-OD1 3.49Å; H204-Q286 WeakPolarHBondContact CE1-CG 3.43Å
205L66.9Low69.4Low6 Ų654.1 Ų54.13%0.03129%0.286CS..PPolyproline II helixtrans-80.2156.2167.4-60.5178.4000111E177 F181 K185 H186E177-L205 HydrophobicContact CB-CB 4.23Å; E177-L205 HydrophobicContact CG-CB 4.24Å; F181-L205 HydrophobicContact CD2-CD2 4.37Å; F181-L205 HydrophobicContact CD2-CG 4.32Å; K185-L205 HydrophobicContact CB-CD2 4.32Å; H186-L205 HydrophobicContact CB-CD2 4.14Å
206L68.2Low70Confident23 Ų2349.6 Ų49.612%0.1225%0.254CS..PPolyproline II helixtrans-61.1127.7173.4-78.8175.8000110.4S189 V192 A193 L198 L201S189-L206 WeakPolarHBondContact O-CD1 3.32Å; S189-L206 WeakPolarHBondContact OG-CB 3.46Å; S189-L206 WeakPolarHBondContact OG-CG 3.33Å; S189-L206 PolarHBondContact OG-N 2.91Å; V192-L206 HydrophobicContact CB-CD1 4.41Å; V192-L206 HydrophobicContact CG1-CD1 4.21Å; A193-L206 HydrophobicContact CB-CD1 3.77Å; A193-L206 HydrophobicContact CB-CD2 4.34Å; A193-L206 HydrophobicContact CB-CG 4.31Å; L198-L206 HydrophobicContact CD1-CD2 4.45Å; L201-L206 HydrophobicContact CD1-CD2 4.32Å
207P71.1Confident70.7Confident8 Ų846.1 Ų46.15%0.05224%0.24CC..PPolyproline II helixtrans-70.2144.5-179.329.7-36000111.6C176 T209 L275 Y279C176-P207 HydrophobicContact CB-CB 4.15Å; C176-P207 CarbonylContact O-C 3.5Å; C176-P207 WeakPolarHBondContact O-CA 3.19Å; P207-T209 PolarHBondContact O-N 3.42Å; P207-L275 HydrophobicContact CB-CD2 3.73Å; P207-L275 HydrophobicContact CB-CG 3.86Å; P207-L275 HydrophobicContact CG-CD2 4.24Å; P207-L275 HydrophobicContact CG-CG 4Å; P207-Y279 HydrophobicContact CB-CD1 4.32Å; P207-Y279 HydrophobicContact CB-CD2 3.59Å; P207-Y279 HydrophobicContact CB-CE1 4.32Å; P207-Y279 HydrophobicContact CB-CE2 3.58Å; P207-Y279 HydrophobicContact CB-CG 3.98Å; P207-Y279 HydrophobicContact CG-CD1 4.33Å; P207-Y279 HydrophobicContact CG-CD2 3.63Å; P207-Y279 HydrophobicContact CG-CE2 4.17Å; P207-Y279 HydrophobicContact CG-CG 3.72Å
208R71.4Confident71.2Confident102 Ų10244 Ų4439%0.38521%0.212SC..  trans-87.1104173.1-63.2-170.2-178.9-131.85.8109.8C176C176-R208 PolarHBondContact O-N 3.31Å
209T74.3Confident71.5Confident30 Ų3041.8 Ų41.818%0.18420%0.2CC..Hα-helixtrans-72.1-37.1-171.455.20000113.6P207 G211 F212 Y213 A272 L275P207-T209 PolarHBondContact O-N 3.42Å; T209-G211 PolarHBondContact O-N 2.8Å; T209-F212 WeakPolarHBondContact O-CB 3.33Å; T209-F212 PolarHBondContact O-N 3.15Å; T209-Y213 WeakPolarHBondContact O-CB 3.16Å; T209-Y213 PolarHBondContact O-N 2.94Å; T209-A272 HydrophobicContact CG2-CB 3.59Å; T209-L275 HydrophobicContact CG2-CB 4.45Å; T209-L275 HydrophobicContact CG2-CD2 4Å
210K72.1Confident71.9Confident106 Ų10640.7 Ų40.746%0.46119%0.187SC..Hα-helixtrans-59.5-45.9-176.5-64.5-169.8173.7-171.60114.3W148 Y213 V214W148-K210 HydrophobicContact CE3-CB 4.37Å; W148-K210 HydrophobicContact CH2-CB 3.6Å; W148-K210 WeakPolarHBondContact CH2-O 3.43Å; W148-K210 HydrophobicContact CZ2-CB 3.95Å; W148-K210 HydrophobicContact CZ2-CD 4.33Å; W148-K210 HydrophobicContact CZ3-CB 3.84Å; K210-Y213 PolarHBondContact O-N 2.83Å; K210-V214 PolarHBondContact O-N 3.05Å; K210-V214 VanDerWaalsContact O-N 3.14Å
211G70.3Confident72Confident29 Ų2939 Ų3930%0.29920%0.204SC..Hα-helixtrans-69.3-35.5179.400000112.6T209 T215T209-G211 PolarHBondContact O-N 2.8Å; G211-T215 WeakPolarHBondContact O-CB 3.03Å; G211-T215 PolarHBondContact O-N 2.81Å; G211-T215 VanDerWaalsContact O-N 3.17Å; G211-T215 PolarHBondContact O-OG1 3.46Å
212F75Confident72.2Confident2 Ų240.3 Ų40.31%0.00921%0.212CC..Hα-helixtrans-64.8-48.8173176.3-106.5000111.3I93 L174 T209 V214 T215 V216 I226 C271 W274 L275I93-F212 HydrophobicContact CD1-CD2 4.18Å; I93-F212 HydrophobicContact CD1-CE2 3.48Å; I93-F212 VanDerWaalsContact CD1-CE2 3.48Å; I93-F212 HydrophobicContact CD1-CZ 4.06Å; I93-F212 HydrophobicContact CG1-CE2 4.24Å; L174-F212 HydrophobicContact CD2-CB 4.3Å; L174-F212 HydrophobicContact CD2-CD2 3.69Å; T209-F212 WeakPolarHBondContact O-CB 3.33Å; T209-F212 PolarHBondContact O-N 3.15Å; F212-V214 PolarHBondContact O-N 2.88Å; F212-T215 WeakPolarHBondContact O-CB 3.18Å; F212-T215 PolarHBondContact O-N 2.82Å; F212-T215 VanDerWaalsContact O-N 3.1Å; F212-V216 HydrophobicContact CD1-CG2 4.23Å; F212-V216 HydrophobicContact CD2-CG2 3.95Å; F212-V216 HydrophobicContact CE1-CG2 3.79Å; F212-V216 HydrophobicContact CE2-CG2 3.44Å; F212-V216 VanDerWaalsContact CE2-CG2 3.44Å; F212-V216 HydrophobicContact CG-CG2 4.32Å; F212-V216 HydrophobicContact CZ-CG2 3.38Å; F212-V216 WeakPolarHBondContact O-CG2 3.39Å; F212-V216 PolarHBondContact O-N 3.42Å; F212-I226 HydrophobicContact CE2-CD1 3.99Å; F212-I226 HydrophobicContact CZ-CD1 3.67Å; F212-C271 VanDerWaalsContact CE1-SG 3.56Å; F212-W274 HydrophobicContact CE1-CE3 4.03Å; F212-W274 AromaticContact CE1-CZ3 3.87Å; F212-W274 HydrophobicContact CE1-CZ3 3.87Å; F212-W274 HydrophobicContact CZ-CE3 4.25Å; F212-W274 AromaticContact CZ-CZ3 3.61Å; F212-W274 HydrophobicContact CZ-CZ3 3.61Å; F212-L275 HydrophobicContact CB-CD2 3.81Å; F212-L275 HydrophobicContact CD1-CB 4.32Å; F212-L275 HydrophobicContact CD1-CD1 4.11Å; F212-L275 HydrophobicContact CD1-CD2 3.83Å; F212-L275 HydrophobicContact CD1-CG 4.31Å; F212-L275 HydrophobicContact CD2-CD1 4.43Å; F212-L275 HydrophobicContact CE1-CB 4.46Å; F212-L275 HydrophobicContact CE1-CD1 4.16Å; F212-L275 HydrophobicContact CG-CD1 4.23Å; F212-L275 HydrophobicContact CG-CD2 3.87Å; F212-L275 HydrophobicContact CZ-CD1 4.36Å
213Y77.9Confident72.9Confident50 Ų5034.9 Ų34.920%0.19619%0.19CC..Hα-helixtrans-55.9-51.8178.7172.5-112.7000112.3T209 K210 T215 V216 Q217 E266 E268 C271T209-Y213 WeakPolarHBondContact O-CB 3.16Å; T209-Y213 PolarHBondContact O-N 2.94Å; K210-Y213 PolarHBondContact O-N 2.83Å; Y213-T215 PolarHBondContact O-N 2.88Å; Y213-V216 PolarHBondContact O-N 3.29Å; Y213-Q217 VanDerWaalsContact O-CB 3.31Å; Y213-Q217 WeakPolarHBondContact O-CB 3.36Å; Y213-Q217 PolarHBondContact O-N 3.32Å; Y213-E266 WeakPolarHBondContact CE2-O 3.3Å; Y213-E268 HydrophobicContact CD1-CB 4.24Å; Y213-E268 HydrophobicContact CD1-CG 3.95Å; Y213-E268 HydrophobicContact CD2-CB 4.43Å; Y213-E268 HydrophobicContact CE1-CB 4.03Å; Y213-E268 HydrophobicContact CE1-CG 4.18Å; Y213-E268 HydrophobicContact CE2-CB 4.26Å; Y213-E268 HydrophobicContact CG-CB 4.42Å; Y213-E268 HydrophobicContact CG-CG 4.18Å; Y213-C271 HydrophobicContact CD2-CB 4.13Å
214V76.1Confident73.7Confident11 Ų1132.9 Ų32.97%0.06719%0.192CC..Hα-helixtrans-60.3-37.1177.4170.50000111.7W148 R152 V155 K210 F212 N218W148-V214 HydrophobicContact CH2-CB 4.43Å; W148-V214 HydrophobicContact CH2-CG2 3.57Å; W148-V214 HydrophobicContact CZ2-CG2 4.17Å; R152-V214 HydrophobicContact CG-CG2 4.47Å; V155-V214 HydrophobicContact CG1-CG1 4.23Å; K210-V214 PolarHBondContact O-N 3.05Å; K210-V214 VanDerWaalsContact O-N 3.14Å; F212-V214 PolarHBondContact O-N 2.88Å; V214-N218 WeakPolarHBondContact O-CB 3.42Å; V214-N218 PolarHBondContact O-N 2.93Å; V214-N218 PolarHBondContact O-ND2 3.44Å
215T75.6Confident74.4Confident1 Ų132.9 Ų32.91%0.00619%0.192CC..Hα-helixtrans-66.7-52.1177.7-58.90000111L159 F172 G211 F212 Y213 Q217 N218 L219L159-T215 HydrophobicContact CD1-CG2 4.46Å; L159-T215 HydrophobicContact CD2-CG2 4.4Å; F172-T215 HydrophobicContact CD1-CG2 3.73Å; F172-T215 HydrophobicContact CE1-CG2 3.55Å; F172-T215 HydrophobicContact CZ-CG2 4.49Å; G211-T215 WeakPolarHBondContact O-CB 3.03Å; G211-T215 PolarHBondContact O-N 2.81Å; G211-T215 VanDerWaalsContact O-N 3.17Å; G211-T215 PolarHBondContact O-OG1 3.46Å; F212-T215 WeakPolarHBondContact O-CB 3.18Å; F212-T215 PolarHBondContact O-N 2.82Å; F212-T215 VanDerWaalsContact O-N 3.1Å; Y213-T215 PolarHBondContact O-N 2.88Å; T215-Q217 PolarHBondContact O-N 3.16Å; T215-N218 PolarHBondContact O-N 2.85Å; T215-L219 HydrophobicContact CG2-CD1 3.69Å; T215-L219 HydrophobicContact CG2-CG 4.42Å; T215-L219 VanDerWaalsContact O-CB 3.32Å; T215-L219 WeakPolarHBondContact O-CB 3.26Å; T215-L219 WeakPolarHBondContact O-CG 3.46Å; T215-L219 PolarHBondContact O-N 2.82Å
216V78Confident75.2Confident1 Ų132.6 Ų32.61%0.00619%0.19CC..Hα-helixtrans-59.7-47.1179.3169.40000110.8F212 Y213 N218 L219 R220 I226 L261 V264F212-V216 HydrophobicContact CD1-CG2 4.23Å; F212-V216 HydrophobicContact CD2-CG2 3.95Å; F212-V216 HydrophobicContact CE1-CG2 3.79Å; F212-V216 HydrophobicContact CE2-CG2 3.44Å; F212-V216 VanDerWaalsContact CE2-CG2 3.44Å; F212-V216 HydrophobicContact CG-CG2 4.32Å; F212-V216 HydrophobicContact CZ-CG2 3.38Å; F212-V216 WeakPolarHBondContact O-CG2 3.39Å; F212-V216 PolarHBondContact O-N 3.42Å; Y213-V216 PolarHBondContact O-N 3.29Å; V216-N218 VanDerWaalsContact C-N 3.34Å; V216-N218 PolarHBondContact O-N 3.24Å; V216-L219 CarbonylContact O-C 3.49Å; V216-L219 PolarHBondContact O-N 3.42Å; V216-R220 HydrophobicContact CG1-CG 4.43Å; V216-R220 WeakPolarHBondContact O-CG 3.41Å; V216-R220 PolarHBondContact O-N 2.83Å; V216-I226 HydrophobicContact CG2-CD1 4.19Å; V216-L261 HydrophobicContact CG1-CD1 4.07Å; V216-V264 HydrophobicContact CG1-CG1 4.2Å
217Q78.9Confident76Confident71 Ų7131.7 Ų31.733%0.33219%0.185SC..Hα-helixtrans-61.5-40.5-177-163.469.5-9.800112.7Y213 T215 L219Y213-Q217 VanDerWaalsContact O-CB 3.31Å; Y213-Q217 WeakPolarHBondContact O-CB 3.36Å; Y213-Q217 PolarHBondContact O-N 3.32Å; T215-Q217 PolarHBondContact O-N 3.16Å; Q217-L219 VanDerWaalsContact C-N 3.34Å
218N75.3Confident76.6Confident30 Ų3031.3 Ų31.316%0.1618%0.183CC..Hα-helixtrans-77.8-19.5176.9-74.5-73.7000113L159 R163 V214 T215 V216L159-N218 HydrophobicContact CB-CB 3.84Å; L159-N218 HydrophobicContact CD1-CB 3.84Å; R163-N218 PolarHBondContact NE-O 3.39Å; R163-N218 PolarHBondContact NH2-O 3.11Å; V214-N218 WeakPolarHBondContact O-CB 3.42Å; V214-N218 PolarHBondContact O-N 2.93Å; V214-N218 PolarHBondContact O-ND2 3.44Å; T215-N218 PolarHBondContact O-N 2.85Å; V216-N218 VanDerWaalsContact C-N 3.34Å; V216-N218 PolarHBondContact O-N 3.24Å
219L74.4Confident77.2Confident0 Ų026.7 Ų26.70%017%0.166CC..Hα-helixtrans-99-8.9179.9-63.1-176.4000114.1V91 L159 W170 F172 T215 V216 Q217 G221 T222 A223V91-L219 HydrophobicContact CG2-CD1 3.6Å; L159-L219 HydrophobicContact CB-CD2 4.34Å; L159-L219 HydrophobicContact CD2-CD1 4.03Å; L159-L219 HydrophobicContact CD2-CD2 3.89Å; L159-L219 HydrophobicContact CD2-CG 4.03Å; W170-L219 HydrophobicContact CH2-CD1 3.59Å; W170-L219 HydrophobicContact CH2-CD2 3.41Å; W170-L219 VanDerWaalsContact CH2-CD2 3.41Å; W170-L219 HydrophobicContact CH2-CG 4.07Å; W170-L219 HydrophobicContact CZ2-CD2 3.9Å; W170-L219 HydrophobicContact CZ3-CD1 4.19Å; F172-L219 HydrophobicContact CG-CD1 4.48Å; T215-L219 HydrophobicContact CG2-CD1 3.69Å; T215-L219 HydrophobicContact CG2-CG 4.42Å; T215-L219 VanDerWaalsContact O-CB 3.32Å; T215-L219 WeakPolarHBondContact O-CB 3.26Å; T215-L219 WeakPolarHBondContact O-CG 3.46Å; T215-L219 PolarHBondContact O-N 2.82Å; V216-L219 CarbonylContact O-C 3.49Å; V216-L219 PolarHBondContact O-N 3.42Å; Q217-L219 VanDerWaalsContact C-N 3.34Å; L219-G221 PolarHBondContact O-N 3.16Å; L219-T222 PolarHBondContact O-N 3.17Å; L219-A223 HydrophobicContact CB-CB 4.25Å; L219-A223 PolarHBondContact O-N 2.92Å
220R74Confident77.6Confident46 Ų4625.2 Ų25.217%0.17416%0.157CC..THydrogen-bonded Turntrans-53126.3165.2-79.7-179.4-172.3-97.1-10.3109.6R163 V216 L261 V264 P265 E266R163-R220 PolarHBondContact NH2-O 3.38Å; V216-R220 HydrophobicContact CG1-CG 4.43Å; V216-R220 WeakPolarHBondContact O-CG 3.41Å; V216-R220 PolarHBondContact O-N 2.83Å; R220-L261 HydrophobicContact CG-CD2 4.08Å; R220-L261 HydrophobicContact CG-CG 4.49Å; R220-V264 PolarHBondContact NH2-O 3.34Å; R220-P265 VanDerWaalsContact NH2-C 3.29Å; R220-P265 PolarHBondContact NH2-O 3.19Å; R220-E266 VanDerWaalsContact CZ-CG 3.47Å; R220-E266 VanDerWaalsContact NH1-CG 3.32Å; R220-E266 IonicContact NH1-OE1 2.93Å; R220-E266 PolarHBondContact NH1-OE1 3.43Å
221G70.8Confident78.1Confident85 Ų8520.2 Ų20.288%0.87614%0.135SC*.THydrogen-bonded Turntrans92.8-16.5-175.800000115.4L219L219-G221 PolarHBondContact O-N 3.16Å
222T72.9Confident78.6Confident34 Ų3419.6 Ų19.621%0.20913%0.125CC..THydrogen-bonded Turntrans-113.6-38.5177.8-52.50000112.6N89 R163 W170 L219N89-T222 VanDerWaalsContact CB-O 3.29Å; N89-T222 WeakPolarHBondContact CB-O 3.48Å; N89-T222 PolarHBondContact ND2-O 2.91Å; N89-T222 VanDerWaalsContact ND2-O 3.08Å; R163-T222 WeakPolarHBondContact CG-OG1 3.37Å; W170-T222 HydrophobicContact CZ2-CG2 4.03Å; L219-T222 PolarHBondContact O-N 3.17Å
223A76.4Confident78.7Confident8 Ų819.6 Ų19.67%0.06613%0.125CC..  trans-92.1134.8173.700000110.5N89 V91 L219 L261N89-A223 WeakPolarHBondContact O-CA 3.44Å; V91-A223 HydrophobicContact CG2-CB 4.33Å; L219-A223 HydrophobicContact CB-CB 4.25Å; L219-A223 PolarHBondContact O-N 2.92Å; A223-L261 HydrophobicContact CB-CD2 4.16Å; A223-L261 VanDerWaalsContact O-CD2 3.28Å; A223-L261 WeakPolarHBondContact O-CD2 3.48Å
224A79.9Confident78.7Confident48 Ų4820.7 Ų20.740%0.39713%0.129SC..  trans-86.4-31.8-179.800000112.3E88 N89 L261E88-A224 HydrophobicContact CB-CB 3.96Å; E88-A224 HydrophobicContact CG-CB 4.38Å; E88-A224 WeakPolarHBondContact OE2-CB 3.47Å; N89-A224 PolarHBondContact O-N 3.32Å; A224-L261 PolarHBondContact O-N 2.83Å
225A83.1Confident78.2Confident0 Ų027.1 Ų27.10%016%0.163CC..EExtended strand (participates in β ladder)trans-149.1158.9-173.500000113.8A90 V91 Y227 R258 I259A90-A225 WeakPolarHBondContact CA-O 3.44Å; A90-A225 WeakPolarHBondContact CB-O 3.43Å; V91-A225 PolarHBondContact N-O 2.76Å; A225-Y227 HydrophobicContact CB-CD1 4.44Å; A225-Y227 HydrophobicContact CB-CE1 4.02Å; A225-R258 HydrophobicContact CB-CG 3.93Å; A225-I259 CarbonylContact C-O 3.53Å; A225-I259 WeakPolarHBondContact CA-O 3.33Å; A225-I259 WeakPolarHBondContact CB-O 3.47Å
226I84.1Confident77.6Confident0 Ų033.8 Ų33.80%020%0.198CC..EExtended strand (participates in β ladder)trans-99124.9162.9-58.2-171.2000108V91 I93 F212 V216 I259 L261 V264 W274V91-I226 HydrophobicContact CB-CG1 4.48Å; V91-I226 CarbonylContact O-C 3.56Å; V91-I226 VanDerWaalsContact O-CA 3.27Å; V91-I226 WeakPolarHBondContact O-CA 3.45Å; I93-I226 HydrophobicContact CD1-CG2 3.53Å; I93-I226 HydrophobicContact CG1-CG2 3.82Å; F212-I226 HydrophobicContact CE2-CD1 3.99Å; F212-I226 HydrophobicContact CZ-CD1 3.67Å; V216-I226 HydrophobicContact CG2-CD1 4.19Å; I226-I259 HydrophobicContact CB-CB 4.39Å; I226-I259 PolarHBondContact N-O 3.46Å; I226-I259 PolarHBondContact O-N 2.85Å; I226-L261 HydrophobicContact CD1-CD1 3.7Å; I226-L261 HydrophobicContact CG1-CD1 3.47Å; I226-L261 VanDerWaalsContact CG1-CD1 3.47Å; I226-V264 HydrophobicContact CD1-CG2 3.67Å; I226-W274 HydrophobicContact CD1-CH2 4.23Å; I226-W274 HydrophobicContact CD1-CZ3 4.46Å
227Y83.8Confident77.1Confident4 Ų436.3 Ų36.32%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-95.6101.4169.7-62.5-29.2000109.3Y85 E88 A90 V91 V92 I93 A225 S229 V256 R258Y85-Y227 HydrophobicContact CD1-CD1 4.34Å; Y85-Y227 HydrophobicContact CD1-CD2 4.37Å; Y85-Y227 AromaticContact CD1-CE1 3.75Å; Y85-Y227 HydrophobicContact CD1-CE1 3.75Å; Y85-Y227 AromaticContact CD1-CE2 3.75Å; Y85-Y227 HydrophobicContact CD1-CE2 3.75Å; Y85-Y227 AromaticContact CD1-CZ 3.41Å; Y85-Y227 VanDerWaalsContact CD1-CZ 3.41Å; Y85-Y227 WeakPolarHBondContact CD1-OH 3.09Å; Y85-Y227 AromaticContact CE1-CD1 3.79Å; Y85-Y227 HydrophobicContact CE1-CD1 3.79Å; Y85-Y227 HydrophobicContact CE1-CD2 4.47Å; Y85-Y227 AromaticContact CE1-CE1 3.47Å; Y85-Y227 HydrophobicContact CE1-CE1 3.47Å; Y85-Y227 VanDerWaalsContact CE1-CE1 3.47Å; Y85-Y227 HydrophobicContact CE1-CE2 4.17Å; Y85-Y227 HydrophobicContact CE1-CG 4.3Å; Y85-Y227 AromaticContact CE1-CZ 3.68Å; E88-Y227 VanDerWaalsContact CD-OH 3.23Å; E88-Y227 WeakPolarHBondContact CG-OH 3.42Å; E88-Y227 WeakPolarHBondContact OE1-CE1 3.44Å; E88-Y227 PolarHBondContact OE1-OH 2.89Å; A90-Y227 HydrophobicContact CB-CD1 4.38Å; A90-Y227 HydrophobicContact CB-CD2 3.44Å; A90-Y227 VanDerWaalsContact CB-CD2 3.44Å; A90-Y227 HydrophobicContact CB-CE1 4.16Å; A90-Y227 HydrophobicContact CB-CE2 3.19Å; A90-Y227 HydrophobicContact CB-CG 4.04Å; V91-Y227 PolarHBondContact O-N 3.37Å; V92-Y227 WeakPolarHBondContact CA-O 3.42Å; V92-Y227 HydrophobicContact CG2-CD2 4.12Å; I93-Y227 PolarHBondContact N-O 3.11Å; A225-Y227 HydrophobicContact CB-CD1 4.44Å; A225-Y227 HydrophobicContact CB-CE1 4.02Å; Y227-S229 PolarHBondContact O-N 3.04Å; Y227-S229 PolarHBondContact O-OG 3.17Å; Y227-V256 HydrophobicContact CG-CG1 4.5Å; Y227-R258 HydrophobicContact CD1-CB 4.1Å; Y227-R258 HydrophobicContact CD1-CG 4.08Å; Y227-R258 HydrophobicContact CE1-CB 4.13Å; Y227-R258 HydrophobicContact CE1-CG 3.77Å
228D84.4Confident76.7Confident0 Ų037.1 Ų37.10%022%0.22CC..EExtended strand (participates in β ladder)trans-77.8108.7175.5-171.532000109.8V256 R257 I259 L278 K282D228-V256 WeakPolarHBondContact O-CA 3.49Å; D228-R257 HydrophobicContact CB-CB 4.33Å; D228-R257 PolarHBondContact N-O 2.87Å; D228-R257 PolarHBondContact O-N 2.7Å; D228-R257 IonicContact OD2-CZ 3.76Å; D228-R257 IonicContact OD2-NE 3.02Å; D228-R257 IonicContact OD2-NH2 3.59Å; D228-R257 PolarHBondContact OD2-NH2 3.43Å; D228-I259 HydrophobicContact CB-CD1 4.04Å; D228-L278 HydrophobicContact CB-CD1 4.38Å; D228-L278 WeakPolarHBondContact OD1-CD2 3.47Å; D228-K282 WeakPolarHBondContact OD1-CE 3.34Å; D228-K282 IonicContact OD1-NZ 3.79Å; D228-K282 PolarHBondContact OD1-NZ 2.98Å
229S83.3Confident76.5Confident4 Ų435.7 Ų35.73%0.02821%0.212CC..EExtended strand (participates in β ladder)trans-118.1136.8-171-55.20000111.7I93 Y227 Y255 K282I93-S229 WeakPolarHBondContact O-CA 3.37Å; I93-S229 PolarHBondContact O-N 2.85Å; Y227-S229 PolarHBondContact O-N 3.04Å; Y227-S229 PolarHBondContact O-OG 3.17Å; S229-Y255 CarbonylContact C-O 3.55Å; S229-Y255 VanDerWaalsContact CA-O 3.24Å; S229-Y255 WeakPolarHBondContact CA-O 3.33Å; S229-K282 PolarHBondContact O-NZ 2.93Å
230T82.8Confident76.6Confident0 Ų037.9 Ų37.90%023%0.225CC..EExtended strand (participates in β ladder)trans-130.9117.2176.2-56.10000109N95 L254 Y255 Q286 F295N95-T230 WeakPolarHBondContact OD1-CA 3.1Å; T230-L254 WeakPolarHBondContact O-CA 3.44Å; T230-Y255 PolarHBondContact N-O 3.39Å; T230-Y255 PolarHBondContact O-N 3.08Å; T230-Q286 HydrophobicContact CG2-CG 4.05Å; T230-F295 HydrophobicContact CG2-CE1 4.09Å; T230-F295 HydrophobicContact CG2-CZ 4.02Å
231L83.1Confident76.6Confident0 Ų036.7 Ų36.70%022%0.223CC..EExtended strand (participates in β ladder)trans-102.7132.1179.6-175.669.5000109.8L94 N95 D101 C104 F233 A252 L254L94-L231 HydrophobicContact CD1-CB 4.1Å; N95-L231 PolarHBondContact ND2-O 3.22Å; N95-L231 PolarHBondContact OD1-N 3.43Å; D101-L231 HydrophobicContact CB-CD2 4.1Å; D101-L231 WeakPolarHBondContact OD1-CD2 3.34Å; C104-L231 HydrophobicContact CB-CD1 4.14Å; C104-L231 HydrophobicContact CB-CD2 3.86Å; L231-F233 HydrophobicContact CD2-CE2 3.86Å; L231-F233 HydrophobicContact CD2-CZ 4.07Å; L231-F233 HydrophobicContact CG-CE2 4.1Å; L231-F233 HydrophobicContact CG-CZ 4.46Å; L231-A252 HydrophobicContact CD1-CB 4.16Å; L231-L254 HydrophobicContact CB-CD1 3.82Å; L231-L254 HydrophobicContact CD1-CB 4.15Å; L231-L254 HydrophobicContact CD1-CD1 3.94Å; L231-L254 HydrophobicContact CG-CD1 4.49Å
232N81.9Confident76.8Confident16 Ų1636.5 Ų36.59%0.08620%0.201CC..EExtended strand (participates in β ladder)trans-138.9152.8167.2-158.23.4000111.1D253 Q286 Y289 F295N232-D253 PolarHBondContact N-O 2.92Å; N232-D253 PolarHBondContact O-N 3.06Å; N232-Q286 PolarHBondContact ND2-OE1 3.5Å; N232-Y289 HydrophobicContact CB-CD1 4.2Å; N232-Y289 HydrophobicContact CB-CE1 3.89Å; N232-Y289 WeakPolarHBondContact ND2-CD1 3.2Å; N232-Y289 WeakPolarHBondContact ND2-CE1 3.1Å; N232-F295 HydrophobicContact CB-CE2 3.96Å; N232-F295 HydrophobicContact CB-CZ 3.76Å
233F77.1Confident77Confident2 Ų235.2 Ų35.21%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-101.7133176.3-70.1-89.4000109.5F98 I100 L231 P239 H251 A252F98-F233 HydrophobicContact CB-CE2 4.15Å; F98-F233 HydrophobicContact CD1-CD2 4.47Å; F98-F233 AromaticContact CD2-CD2 3.42Å; F98-F233 HydrophobicContact CD2-CD2 3.42Å; F98-F233 VanDerWaalsContact CD2-CD2 3.42Å; F98-F233 AromaticContact CD2-CE2 3.51Å; F98-F233 HydrophobicContact CD2-CE2 3.51Å; F98-F233 AromaticContact CE2-CD2 3.55Å; F98-F233 HydrophobicContact CE2-CD2 3.55Å; F98-F233 HydrophobicContact CE2-CE2 4.1Å; F98-F233 AromaticContact CG-CD2 3.91Å; F98-F233 HydrophobicContact CG-CD2 3.91Å; F98-F233 AromaticContact CG-CE2 3.93Å; F98-F233 HydrophobicContact CG-CE2 3.93Å; F98-F233 HydrophobicContact CZ-CD2 4.12Å; I100-F233 HydrophobicContact CD1-CE1 3.6Å; I100-F233 HydrophobicContact CD1-CZ 3.52Å; I100-F233 HydrophobicContact CG1-CE1 4.21Å; I100-F233 HydrophobicContact CG1-CE2 4.33Å; I100-F233 HydrophobicContact CG1-CZ 3.61Å; L231-F233 HydrophobicContact CD2-CE2 3.86Å; L231-F233 HydrophobicContact CD2-CZ 4.07Å; L231-F233 HydrophobicContact CG-CE2 4.1Å; L231-F233 HydrophobicContact CG-CZ 4.46Å; F233-P239 HydrophobicContact CD1-CB 4.34Å; F233-P239 HydrophobicContact CD1-CG 3.93Å; F233-P239 HydrophobicContact CD2-CG 3.65Å; F233-P239 HydrophobicContact CE1-CB 4.15Å; F233-P239 HydrophobicContact CE1-CG 3.78Å; F233-P239 HydrophobicContact CE2-CG 3.52Å; F233-P239 HydrophobicContact CG-CG 3.87Å; F233-P239 HydrophobicContact CZ-CB 4.33Å; F233-P239 HydrophobicContact CZ-CG 3.59Å; F233-H251 WeakPolarHBondContact CA-O 3.38Å; F233-A252 HydrophobicContact CD1-CB 3.99Å; F233-A252 HydrophobicContact CE1-CB 3.51Å; F233-A252 HydrophobicContact CZ-CB 4.06Å
234R77.1Confident77.1Confident74 Ų7434.9 Ų34.928%0.27919%0.192SC..G310 helixtrans-62.5150175.2-64.2-173.6-178.2169.89.1110.1Y76 N236 H251 D253 Y289Y76-R234 PolarHBondContact OH-NH2 3.17Å; R234-N236 PolarHBondContact O-N 2.99Å; R234-H251 HydrophobicContact CB-CB 4.1Å; R234-H251 HydrophobicContact CG-CB 4.13Å; R234-H251 PolarHBondContact N-O 2.83Å; R234-D253 IonicContact CZ-OD1 3.5Å; R234-D253 IonicContact CZ-OD2 3.3Å; R234-D253 VanDerWaalsContact CZ-OD2 3.3Å; R234-D253 IonicContact NE-OD1 3.29Å; R234-D253 PolarHBondContact NE-OD1 3.26Å; R234-D253 IonicContact NE-OD2 2.82Å; R234-D253 PolarHBondContact NE-OD2 3.39Å; R234-D253 IonicContact NH2-OD1 3.05Å; R234-D253 PolarHBondContact NH2-OD1 2.89Å; R234-D253 IonicContact NH2-OD2 2.88Å; R234-D253 PolarHBondContact NH2-OD2 2.97Å; R234-Y289 WeakPolarHBondContact CG-OH 3.05Å
235N65.5Low77Confident145 Ų14533.5 Ų33.578%0.77518%0.177SC*.G310 helixtrans65.118.5178.7-50.4-23.7000115E237N235-E237 HydrophobicContact CB-CG 4.26Å; N235-E237 PolarHBondContact O-N 3.2Å
236N62.1Low76.7Confident141 Ų14137 Ų3775%0.75420%0.196SC*.G310 helixtrans57.124.7176.8-129.351.2000113.3R234R234-N236 PolarHBondContact O-N 2.99Å
237E68Low76.2Confident55 Ų5537.5 Ų37.526%0.25720%0.201SC..  trans-70138.6177.1-62.1-160.1131.700109.6N235 P239 K248 Y250N235-E237 HydrophobicContact CB-CG 4.26Å; N235-E237 PolarHBondContact O-N 3.2Å; E237-P239 WeakPolarHBondContact O-CD 3.25Å; E237-K248 VanDerWaalsContact CD-NZ 3.29Å; E237-K248 WeakPolarHBondContact OE1-CE 3.05Å; E237-K248 IonicContact OE1-NZ 2.74Å; E237-K248 PolarHBondContact OE1-NZ 3.43Å; E237-K248 VanDerWaalsContact OE2-CE 3.26Å; E237-K248 WeakPolarHBondContact OE2-CE 3.17Å; E237-K248 IonicContact OE2-NZ 3.47Å; E237-K248 PolarHBondContact OE2-NZ 3.46Å; E237-Y250 HydrophobicContact CB-CD1 4.47Å; E237-Y250 HydrophobicContact CB-CE1 4.46Å; E237-Y250 WeakPolarHBondContact OE2-CD1 3.5Å
238V70.6Confident76Confident88 Ų8841.1 Ų41.153%0.53322%0.217SC..  trans-89.7102.3170.4-177.50000107.3F98F98-V238 HydrophobicContact CD1-CG1 4.36Å
239P71.1Confident75.8Confident0 Ų045.3 Ų45.30%024%0.235CC..  trans-73.1135.3178.131.6-38.7000111F98 I100 F233 E237 Y250F98-P239 HydrophobicContact CB-CG 3.86Å; F98-P239 HydrophobicContact CD1-CG 4.24Å; F98-P239 HydrophobicContact CG-CG 4.07Å; I100-P239 HydrophobicContact CD1-CB 3.34Å; I100-P239 HydrophobicContact CD1-CG 3.73Å; I100-P239 HydrophobicContact CG1-CB 3.59Å; I100-P239 HydrophobicContact CG1-CG 3.52Å; F233-P239 HydrophobicContact CD1-CB 4.34Å; F233-P239 HydrophobicContact CD1-CG 3.93Å; F233-P239 HydrophobicContact CD2-CG 3.65Å; F233-P239 HydrophobicContact CE1-CB 4.15Å; F233-P239 HydrophobicContact CE1-CG 3.78Å; F233-P239 HydrophobicContact CE2-CG 3.52Å; F233-P239 HydrophobicContact CG-CG 3.87Å; F233-P239 HydrophobicContact CZ-CB 4.33Å; F233-P239 HydrophobicContact CZ-CG 3.59Å; E237-P239 WeakPolarHBondContact O-CD 3.25Å; P239-Y250 HydrophobicContact CB-CD1 3.91Å; P239-Y250 HydrophobicContact CB-CD2 4.27Å; P239-Y250 HydrophobicContact CB-CE1 3.83Å; P239-Y250 HydrophobicContact CB-CE2 4.22Å; P239-Y250 HydrophobicContact CB-CG 4.1Å
240T75.9Confident75.7Confident45 Ų4545.3 Ų45.328%0.27624%0.235SC..  trans-123.1153.2176.660.50000109.6L242 G243 I244T240-L242 PolarHBondContact O-N 2.89Å; T240-G243 PolarHBondContact O-N 3.23Å; T240-G243 PolarHBondContact OG1-N 2.92Å; T240-I244 PolarHBondContact O-N 3.45Å
241L74.8Confident75.7Confident22 Ų2247.9 Ų47.912%0.11525%0.247CC..Hα-helixtrans-62.2-34.1177.9-163.964.4000111.5L103 G243 I244 L245 I357L103-L241 HydrophobicContact CD2-CD1 4.31Å; L241-G243 VanDerWaalsContact C-N 3.33Å; L241-G243 PolarHBondContact O-N 3.46Å; L241-I244 HydrophobicContact CD1-CD1 4.14Å; L241-I244 WeakPolarHBondContact O-CB 3.18Å; L241-I244 PolarHBondContact O-N 2.77Å; L241-L245 WeakPolarHBondContact O-CG 3.48Å; L241-L245 PolarHBondContact O-N 3.26Å; L241-L245 VanDerWaalsContact O-N 3.1Å; L241-I357 HydrophobicContact CD2-CG1 4.07Å
242L75.4Confident75.7Confident81 Ų8147.9 Ų47.942%0.42425%0.247SC..Hα-helixtrans-62.8-37.9172.7-72.4168.6000112.4T240 I244 L245 N246 I357T240-L242 PolarHBondContact O-N 2.89Å; L242-I244 VanDerWaalsContact C-N 3.32Å; L242-I244 PolarHBondContact O-N 3.09Å; L242-L245 PolarHBondContact O-N 3.13Å; L242-N246 WeakPolarHBondContact O-CB 3.49Å; L242-N246 VanDerWaalsContact O-CG 3.3Å; L242-N246 PolarHBondContact O-N 3.21Å; L242-N246 PolarHBondContact O-ND2 2.83Å; L242-I357 HydrophobicContact CD1-CG2 4.37Å; L242-I357 HydrophobicContact CD2-CD1 3.77Å; L242-I357 HydrophobicContact CD2-CG2 4.47Å; L242-I357 HydrophobicContact CG-CD1 4.39Å; L242-I357 HydrophobicContact CG-CG2 4.04Å
243G76.6Confident75.8Confident7 Ų747.1 Ų47.17%0.07224%0.243CC..Hα-helixtrans-62.2-39.5175.100000112.7T240 L241 N246 G247 K248 Y250T240-G243 PolarHBondContact O-N 3.23Å; T240-G243 PolarHBondContact OG1-N 2.92Å; L241-G243 VanDerWaalsContact C-N 3.33Å; L241-G243 PolarHBondContact O-N 3.46Å; G243-N246 PolarHBondContact O-N 3.47Å; G243-G247 PolarHBondContact O-N 2.87Å; G243-K248 VanDerWaalsContact O-CB 3.25Å; G243-K248 WeakPolarHBondContact O-CB 3.19Å; G243-K248 PolarHBondContact O-N 3.33Å; G243-Y250 WeakPolarHBondContact CA-OH 3.35Å
244I79.8Confident76.1Confident1 Ų147.6 Ų47.61%0.00525%0.245CC..Hα-helixtrans-63.2-46.3174.3-65.5164000110.6A64 L65 I100 L103 T240 L241 L242 N246 G247 Y250A64-I244 WeakPolarHBondContact O-CG2 3.45Å; L65-I244 HydrophobicContact CD1-CD1 3.47Å; L65-I244 VanDerWaalsContact CD1-CD1 3.47Å; L65-I244 HydrophobicContact CD1-CG1 3.84Å; L65-I244 HydrophobicContact CD1-CG2 4.45Å; I100-I244 HydrophobicContact CB-CD1 4.22Å; I100-I244 HydrophobicContact CD1-CD1 4.12Å; I100-I244 HydrophobicContact CG2-CD1 3.61Å; L103-I244 HydrophobicContact CD2-CD1 3.9Å; T240-I244 PolarHBondContact O-N 3.45Å; L241-I244 HydrophobicContact CD1-CD1 4.14Å; L241-I244 WeakPolarHBondContact O-CB 3.18Å; L241-I244 PolarHBondContact O-N 2.77Å; L242-I244 VanDerWaalsContact C-N 3.32Å; L242-I244 PolarHBondContact O-N 3.09Å; I244-N246 VanDerWaalsContact C-N 3.31Å; I244-N246 PolarHBondContact O-N 3.05Å; I244-G247 WeakPolarHBondContact O-CA 3Å; I244-G247 PolarHBondContact O-N 3.39Å; I244-Y250 HydrophobicContact CG1-CD2 4.23Å; I244-Y250 HydrophobicContact CG1-CE2 4.05Å
245L76.9Confident76.4Confident18 Ų1845.6 Ų45.69%0.09424%0.238CC..Hα-helixtrans-60.3-42.1178.3-69174.8000111.4H14 M17 W68 L241 L242 G247 M353 I357H14-L245 PolarHBondContact CD2-O 2.87Å; H14-L245 VanDerWaalsContact CD2-O 3.29Å; H14-L245 PolarHBondContact NE2-O 2.87Å; M17-L245 HydrophobicContact CE-CD2 4.15Å; W68-L245 PolarHBondContact NE1-O 3.44Å; L241-L245 WeakPolarHBondContact O-CG 3.48Å; L241-L245 PolarHBondContact O-N 3.26Å; L241-L245 VanDerWaalsContact O-N 3.1Å; L242-L245 PolarHBondContact O-N 3.13Å; L245-G247 PolarHBondContact O-N 3.24Å; L245-M353 HydrophobicContact CD1-CE 4.09Å; L245-I357 HydrophobicContact CD1-CD1 3.9Å
246N77.1Confident77.3Confident74 Ų7439.2 Ų39.240%0.39620%0.204SC..THydrogen-bonded Turntrans-67.5-2.5174-70.7-31.4000113.9H14 L242 G243 I244H14-N246 PolarHBondContact CE1-OD1 2.88Å; H14-N246 PolarHBondContact NE2-OD1 3.21Å; L242-N246 WeakPolarHBondContact O-CB 3.49Å; L242-N246 VanDerWaalsContact O-CG 3.3Å; L242-N246 PolarHBondContact O-N 3.21Å; L242-N246 PolarHBondContact O-ND2 2.83Å; G243-N246 PolarHBondContact O-N 3.47Å; I244-N246 VanDerWaalsContact C-N 3.31Å; I244-N246 PolarHBondContact O-N 3.05Å
247G73.2Confident78.4Confident10 Ų1035.3 Ų35.310%0.10318%0.179CC..THydrogen-bonded Turntrans75.421.1-179.500000113.9G243 I244 L245 K249G243-G247 PolarHBondContact O-N 2.87Å; I244-G247 WeakPolarHBondContact O-CA 3Å; I244-G247 PolarHBondContact O-N 3.39Å; L245-G247 PolarHBondContact O-N 3.24Å; G247-K249 PolarHBondContact O-N 3.29Å
248K79.3Confident79.2Confident81 Ų8135.8 Ų35.835%0.35218%0.178SC..  trans-67.6125.5172.3-174.7169.2174.4178.60108.7S69 E237 G243 Y250S69-K248 PolarHBondContact OG-O 2.9Å; E237-K248 VanDerWaalsContact CD-NZ 3.29Å; E237-K248 WeakPolarHBondContact OE1-CE 3.05Å; E237-K248 IonicContact OE1-NZ 2.74Å; E237-K248 PolarHBondContact OE1-NZ 3.43Å; E237-K248 VanDerWaalsContact OE2-CE 3.26Å; E237-K248 WeakPolarHBondContact OE2-CE 3.17Å; E237-K248 IonicContact OE2-NZ 3.47Å; E237-K248 PolarHBondContact OE2-NZ 3.46Å; G243-K248 VanDerWaalsContact O-CB 3.25Å; G243-K248 WeakPolarHBondContact O-CB 3.19Å; G243-K248 PolarHBondContact O-N 3.33Å; K248-Y250 HydrophobicContact CB-CE2 4.1Å; K248-Y250 HydrophobicContact CD-CE1 3.85Å; K248-Y250 HydrophobicContact CG-CE1 4.13Å; K248-Y250 HydrophobicContact CG-CE2 4.23Å; K248-Y250 WeakPolarHBondContact O-CD2 3.41Å
249K81.3Confident79.9Confident87 Ų8732.6 Ų32.638%0.37816%0.158SC..  trans-80.7123.1176.5-178.4178.3-175.3-164.50109.5S69 G70 E72 G247 H251S69-K249 WeakPolarHBondContact O-CA 3.38Å; G70-K249 VanDerWaalsContact O-CE 3.24Å; G70-K249 WeakPolarHBondContact O-CE 3.15Å; G70-K249 WeakPolarHBondContact O-CG 3.26Å; E72-K249 WeakPolarHBondContact OE1-CE 3.35Å; E72-K249 IonicContact OE1-NZ 2.7Å; E72-K249 PolarHBondContact OE1-NZ 3.29Å; E72-K249 IonicContact OE2-NZ 3.69Å; G247-K249 PolarHBondContact O-N 3.29Å; K249-H251 WeakPolarHBondContact CE-NE2 3.31Å; K249-H251 PolarHBondContact NZ-NE2 3.08Å
250Y80.9Confident80.5Confident5 Ų535.2 Ų35.22%0.0218%0.175CC..  trans-104.5157.2171.2-61.2-76.4000110.7T71 E72 E237 P239 G243 I244 K248T71-Y250 VanDerWaalsContact CA-O 3.3Å; T71-Y250 WeakPolarHBondContact CA-O 3.48Å; T71-Y250 WeakPolarHBondContact CG2-O 2.94Å; T71-Y250 PolarHBondContact OG1-N 3.46Å; T71-Y250 VanDerWaalsContact OG1-N 3.16Å; E72-Y250 PolarHBondContact N-O 3.21Å; E237-Y250 HydrophobicContact CB-CD1 4.47Å; E237-Y250 HydrophobicContact CB-CE1 4.46Å; E237-Y250 WeakPolarHBondContact OE2-CD1 3.5Å; P239-Y250 HydrophobicContact CB-CD1 3.91Å; P239-Y250 HydrophobicContact CB-CD2 4.27Å; P239-Y250 HydrophobicContact CB-CE1 3.83Å; P239-Y250 HydrophobicContact CB-CE2 4.22Å; P239-Y250 HydrophobicContact CB-CG 4.1Å; G243-Y250 WeakPolarHBondContact CA-OH 3.35Å; I244-Y250 HydrophobicContact CG1-CD2 4.23Å; I244-Y250 HydrophobicContact CG1-CE2 4.05Å; K248-Y250 HydrophobicContact CB-CE2 4.1Å; K248-Y250 HydrophobicContact CD-CE1 3.85Å; K248-Y250 HydrophobicContact CG-CE1 4.13Å; K248-Y250 HydrophobicContact CG-CE2 4.23Å; K248-Y250 WeakPolarHBondContact O-CD2 3.41Å
251H82.9Confident80.8Confident54 Ų5433.5 Ų33.525%0.2516%0.164CC..EExtended strand (participates in β ladder)trans-119.7106.2171.2-59.787.6000107.9E72 F233 R234 K249E72-H251 WeakPolarHBondContact O-CA 3.11Å; E72-H251 IonicContact OE2-CD2 3.53Å; E72-H251 IonicContact OE2-NE2 3.77Å; F233-H251 WeakPolarHBondContact CA-O 3.38Å; R234-H251 HydrophobicContact CB-CB 4.1Å; R234-H251 HydrophobicContact CG-CB 4.13Å; R234-H251 PolarHBondContact N-O 2.83Å; K249-H251 WeakPolarHBondContact CE-NE2 3.31Å; K249-H251 PolarHBondContact NZ-NE2 3.08Å
252A82.3Confident80.9Confident0 Ų041.1 Ų41.10%020%0.199CC..EExtended strand (participates in β ladder)trans-101.7117-176.700000108.9E72 C73 T74 L231 F233E72-A252 PolarHBondContact O-N 3.19Å; C73-A252 CarbonylContact C-O 3.53Å; C73-A252 VanDerWaalsContact CA-O 3.3Å; C73-A252 WeakPolarHBondContact CA-O 3.48Å; T74-A252 PolarHBondContact N-O 3.29Å; L231-A252 HydrophobicContact CD1-CB 4.16Å; F233-A252 HydrophobicContact CD1-CB 3.99Å; F233-A252 HydrophobicContact CE1-CB 3.51Å; F233-A252 HydrophobicContact CZ-CB 4.06Å
253D83.3Confident81Confident0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-102.7118.7176.5-79.32.7000108.3T74 Y76 N232 R234 Y289 F295T74-D253 WeakPolarHBondContact CB-OD1 3.36Å; T74-D253 PolarHBondContact OG1-OD1 3.2Å; Y76-D253 HydrophobicContact CD2-CB 4.38Å; Y76-D253 HydrophobicContact CE2-CB 3.67Å; Y76-D253 VanDerWaalsContact CE2-CG 3.49Å; Y76-D253 WeakPolarHBondContact CE2-OD2 3.07Å; Y76-D253 PolarHBondContact OH-OD2 3.48Å; N232-D253 PolarHBondContact N-O 2.92Å; N232-D253 PolarHBondContact O-N 3.06Å; R234-D253 IonicContact CZ-OD1 3.5Å; R234-D253 IonicContact CZ-OD2 3.3Å; R234-D253 VanDerWaalsContact CZ-OD2 3.3Å; R234-D253 IonicContact NE-OD1 3.29Å; R234-D253 PolarHBondContact NE-OD1 3.26Å; R234-D253 IonicContact NE-OD2 2.82Å; R234-D253 PolarHBondContact NE-OD2 3.39Å; R234-D253 IonicContact NH2-OD1 3.05Å; R234-D253 PolarHBondContact NH2-OD1 2.89Å; R234-D253 IonicContact NH2-OD2 2.88Å; R234-D253 PolarHBondContact NH2-OD2 2.97Å; D253-Y289 HydrophobicContact CB-CE2 4Å; D253-Y289 PolarHBondContact OD2-OH 3.14Å; D253-F295 HydrophobicContact CB-CD2 4.05Å; D253-F295 HydrophobicContact CB-CE2 4.08Å; D253-F295 WeakPolarHBondContact O-CE2 3.32Å
254L83.9Confident81.2Confident11 Ų1140.2 Ų40.26%0.05820%0.198CC..EExtended strand (participates in β ladder)trans-111.6119178.1-17475.1000109.8T74 L75 Y76 L94 F108 T230 L231 V256T74-L254 PolarHBondContact O-N 3.16Å; L75-L254 CarbonylContact C-O 3.55Å; L75-L254 WeakPolarHBondContact CA-O 3.47Å; L75-L254 HydrophobicContact CD1-CD2 4.28Å; Y76-L254 PolarHBondContact N-O 3.32Å; L94-L254 HydrophobicContact CD1-CD1 3.66Å; F108-L254 HydrophobicContact CD1-CD2 4.37Å; F108-L254 HydrophobicContact CD2-CB 4.44Å; F108-L254 HydrophobicContact CD2-CD2 3.25Å; F108-L254 HydrophobicContact CD2-CG 4.38Å; F108-L254 HydrophobicContact CE1-CD2 4.32Å; F108-L254 HydrophobicContact CE2-CB 3.48Å; F108-L254 VanDerWaalsContact CE2-CB 3.48Å; F108-L254 HydrophobicContact CE2-CD2 3.18Å; F108-L254 HydrophobicContact CE2-CG 3.86Å; F108-L254 HydrophobicContact CG-CD2 3.88Å; F108-L254 HydrophobicContact CZ-CB 3.52Å; F108-L254 HydrophobicContact CZ-CD2 3.74Å; F108-L254 HydrophobicContact CZ-CG 4.24Å; T230-L254 WeakPolarHBondContact O-CA 3.44Å; L231-L254 HydrophobicContact CB-CD1 3.82Å; L231-L254 HydrophobicContact CD1-CB 4.15Å; L231-L254 HydrophobicContact CD1-CD1 3.94Å; L231-L254 HydrophobicContact CG-CD1 4.49Å; L254-V256 HydrophobicContact CD2-CG2 3.48Å; L254-V256 VanDerWaalsContact CD2-CG2 3.48Å; L254-V256 HydrophobicContact CG-CG2 3.75Å
255Y84.5Confident81.3Confident33 Ų3341.8 Ų41.813%0.12921%0.208CC..EExtended strand (participates in β ladder)trans-90.8130.7166.3178.6-111.1000110.1Y76 S229 T230 R257 F285 F295 P296Y76-Y255 WeakPolarHBondContact O-CA 3.39Å; S229-Y255 CarbonylContact C-O 3.55Å; S229-Y255 VanDerWaalsContact CA-O 3.24Å; S229-Y255 WeakPolarHBondContact CA-O 3.33Å; T230-Y255 PolarHBondContact N-O 3.39Å; T230-Y255 PolarHBondContact O-N 3.08Å; Y255-R257 HydrophobicContact CE1-CB 4.14Å; Y255-F285 HydrophobicContact CD1-CD2 4.4Å; Y255-F285 AromaticContact CE1-CD2 3.99Å; Y255-F285 HydrophobicContact CE1-CD2 3.99Å; Y255-F285 AromaticContact CE1-CE2 3.87Å; Y255-F285 HydrophobicContact CE1-CE2 3.87Å; Y255-F285 HydrophobicContact CE1-CZ 4.32Å; Y255-F295 HydrophobicContact CD2-CB 4.27Å; Y255-F295 HydrophobicContact CG-CB 4.4Å; Y255-F295 HydrophobicContact CG-CG 4.46Å; Y255-P296 WeakPolarHBondContact CD2-O 3.47Å; Y255-P296 WeakPolarHBondContact CE2-O 3.5Å
256V83.9Confident81.3Confident11 Ų1147 Ų477%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-130.4121.6178.2-176.80000110.4L75 Y76 T77 Y85 Y227 D228 L254L75-V256 HydrophobicContact CD1-CB 3.89Å; L75-V256 HydrophobicContact CD1-CG2 3.38Å; Y76-V256 PolarHBondContact O-N 3Å; T77-V256 PolarHBondContact OG1-O 3.25Å; Y85-V256 HydrophobicContact CE1-CG1 4.21Å; Y227-V256 HydrophobicContact CG-CG1 4.5Å; D228-V256 WeakPolarHBondContact O-CA 3.49Å; L254-V256 HydrophobicContact CD2-CG2 3.48Å; L254-V256 VanDerWaalsContact CD2-CG2 3.48Å; L254-V256 HydrophobicContact CG-CG2 3.75Å
257R85.1Confident81.6Confident58 Ų5847.5 Ų47.522%0.21924%0.235CC..EExtended strand (participates in β ladder)trans-112.9128.2173174.217460.6170.41.1110D228 Y255 I259 E281D228-R257 HydrophobicContact CB-CB 4.33Å; D228-R257 PolarHBondContact N-O 2.87Å; D228-R257 PolarHBondContact O-N 2.7Å; D228-R257 IonicContact OD2-CZ 3.76Å; D228-R257 IonicContact OD2-NE 3.02Å; D228-R257 IonicContact OD2-NH2 3.59Å; D228-R257 PolarHBondContact OD2-NH2 3.43Å; Y255-R257 HydrophobicContact CE1-CB 4.14Å; R257-I259 HydrophobicContact CG-CG1 4.27Å; R257-E281 IonicContact CZ-OE2 2.77Å; R257-E281 VanDerWaalsContact CZ-OE2 3.26Å; R257-E281 IonicContact NH1-OE2 3.32Å; R257-E281 PolarHBondContact NH1-OE2 3.41Å; R257-E281 IonicContact NH2-OE2 3.73Å; R257-E281 PolarHBondContact NH2-OE2 3.07Å
258R85.5Confident81.9Confident66 Ų6651 Ų5125%0.24925%0.249CC..EExtended strand (participates in β ladder)trans-87.1129.3174.3179.7177.3-173.7-78.91.3110.4E88 A225 Y227E88-R258 IonicContact OE1-CZ 3.55Å; E88-R258 IonicContact OE1-NE 3.52Å; E88-R258 PolarHBondContact OE1-NE 3.3Å; E88-R258 IonicContact OE1-NH2 2.73Å; E88-R258 IonicContact OE2-CZ 3.31Å; E88-R258 IonicContact OE2-NE 3.57Å; E88-R258 IonicContact OE2-NH2 2.81Å; E88-R258 PolarHBondContact OE2-NH2 3.46Å; A225-R258 HydrophobicContact CB-CG 3.93Å; Y227-R258 HydrophobicContact CD1-CB 4.1Å; Y227-R258 HydrophobicContact CD1-CG 4.08Å; Y227-R258 HydrophobicContact CE1-CB 4.13Å; Y227-R258 HydrophobicContact CE1-CG 3.77Å
259I85Confident82Confident21 Ų2150.4 Ų50.411%0.10826%0.259CS..EExtended strand (participates in β ladder)trans-124120.1175.7-57.1178.3000107.5A225 I226 D228 R257 L261 S263 W274 L278A225-I259 CarbonylContact C-O 3.53Å; A225-I259 WeakPolarHBondContact CA-O 3.33Å; A225-I259 WeakPolarHBondContact CB-O 3.47Å; I226-I259 HydrophobicContact CB-CB 4.39Å; I226-I259 PolarHBondContact N-O 3.46Å; I226-I259 PolarHBondContact O-N 2.85Å; D228-I259 HydrophobicContact CB-CD1 4.04Å; R257-I259 HydrophobicContact CG-CG1 4.27Å; I259-L261 PolarHBondContact O-N 3.47Å; I259-S263 WeakPolarHBondContact CG2-OG 3.39Å; I259-W274 HydrophobicContact CD1-CH2 4.11Å; I259-W274 HydrophobicContact CD1-CZ2 3.91Å; I259-W274 HydrophobicContact CG2-CZ2 3.97Å; I259-L278 HydrophobicContact CD1-CD1 3.74Å
260P84Confident82Confident55 Ų5551.9 Ų51.936%0.35727%0.267SS..EExtended strand (participates in β ladder)trans-58136.4173.7-22.833.5000111.3E262 S263P260-E262 PolarHBondContact O-N 3.13Å; P260-S263 PolarHBondContact O-N 3.2Å; P260-S263 VanDerWaalsContact O-N 3.08Å; P260-S263 PolarHBondContact O-OG 3.08Å
261L80.4Confident81.9Confident8 Ų851.7 Ų51.74%0.04227%0.266CS..G310 helixtrans-62.8-27.8-178-164.469.5000112.2V216 R220 A223 A224 I226 I259 S263 V264V216-L261 HydrophobicContact CG1-CD1 4.07Å; R220-L261 HydrophobicContact CG-CD2 4.08Å; R220-L261 HydrophobicContact CG-CG 4.49Å; A223-L261 HydrophobicContact CB-CD2 4.16Å; A223-L261 VanDerWaalsContact O-CD2 3.28Å; A223-L261 WeakPolarHBondContact O-CD2 3.48Å; A224-L261 PolarHBondContact O-N 2.83Å; I226-L261 HydrophobicContact CD1-CD1 3.7Å; I226-L261 HydrophobicContact CG1-CD1 3.47Å; I226-L261 VanDerWaalsContact CG1-CD1 3.47Å; I259-L261 PolarHBondContact O-N 3.47Å; L261-S263 PolarHBondContact O-N 2.92Å; L261-V264 HydrophobicContact CD1-CG2 4.49Å; L261-V264 WeakPolarHBondContact O-CB 3.42Å; L261-V264 PolarHBondContact O-N 3.42Å
262E77.3Confident81.7Confident182 Ų18250 Ų5085%0.8526%0.261SS*.G310 helixtrans-60.9-27.6176-64.6174.5-17700113.6P260 V264P260-E262 PolarHBondContact O-N 3.13Å; E262-V264 PolarHBondContact O-N 2.84Å
263S78.6Confident81.7Confident66 Ų6652.8 Ų52.846%0.46229%0.285SS..G310 helixtrans-78-6.617968.20000114.1I259 P260 L261I259-S263 WeakPolarHBondContact CG2-OG 3.39Å; P260-S263 PolarHBondContact O-N 3.2Å; P260-S263 VanDerWaalsContact O-N 3.08Å; P260-S263 PolarHBondContact O-OG 3.08Å; L261-S263 PolarHBondContact O-N 2.92Å
264V80.4Confident81.7Confident4 Ų455.1 Ų55.12%0.02429%0.294CS..SBendtrans-84136.3178.6-173.60000108.6V216 R220 I226 L261 E262 W274V216-V264 HydrophobicContact CG1-CG1 4.2Å; R220-V264 PolarHBondContact NH2-O 3.34Å; I226-V264 HydrophobicContact CD1-CG2 3.67Å; L261-V264 HydrophobicContact CD1-CG2 4.49Å; L261-V264 WeakPolarHBondContact O-CB 3.42Å; L261-V264 PolarHBondContact O-N 3.42Å; E262-V264 PolarHBondContact O-N 2.84Å; V264-W274 HydrophobicContact CG1-CD2 4.49Å; V264-W274 HydrophobicContact CG1-CE3 4.31Å; V264-W274 HydrophobicContact CG2-CH2 4.12Å; V264-W274 HydrophobicContact CG2-CZ2 4.17Å; V264-W274 HydrophobicContact CG2-CZ3 4.44Å
265P81.1Confident81.6Confident33 Ų3354.6 Ų54.621%0.21429%0.291CS..  trans-64.4152.4174.9-2334000113.6R220 E270 W274R220-P265 VanDerWaalsContact NH2-C 3.29Å; R220-P265 PolarHBondContact NH2-O 3.19Å; P265-E270 HydrophobicContact CB-CB 3.48Å; P265-E270 VanDerWaalsContact CB-CB 3.48Å; P265-E270 HydrophobicContact CG-CB 4.01Å; P265-W274 HydrophobicContact CG-CB 4.21Å
266E77.8Confident81.4Confident127 Ų12754.5 Ų54.559%0.59329%0.292SS*.SBendtrans-89.2-25178.9-70.8-170173.200113.7Y213 R220Y213-E266 WeakPolarHBondContact CE2-O 3.3Å; R220-E266 VanDerWaalsContact CZ-CG 3.47Å; R220-E266 VanDerWaalsContact NH1-CG 3.32Å; R220-E266 IonicContact NH1-OE1 2.93Å; R220-E266 PolarHBondContact NH1-OE1 3.43Å
267D83.6Confident81.4Confident85 Ų8559.9 Ų59.946%0.45531%0.314SS..SBendtrans-75.4144.2178.3-177.2-95.2000111.6A269 E270 C271D267-A269 VanDerWaalsContact C-N 3.35Å; D267-A269 PolarHBondContact O-N 2.98Å; D267-A269 WeakPolarHBondContact OD1-CA 3.44Å; D267-A269 VanDerWaalsContact OD1-CB 3.28Å; D267-A269 WeakPolarHBondContact OD1-CB 3.14Å; D267-A269 PolarHBondContact OD1-N 2.99Å; D267-E270 HydrophobicContact CB-CB 4.11Å; D267-E270 HydrophobicContact CB-CG 4.02Å; D267-E270 PolarHBondContact O-N 3.03Å; D267-E270 PolarHBondContact OD1-N 3.27Å; D267-C271 WeakPolarHBondContact O-CB 3.42Å; D267-C271 PolarHBondContact O-N 3.48Å
268E78.9Confident81.3Confident85 Ų8557.3 Ų57.340%0.39731%0.305SS..Hα-helixtrans-63.4-39.9-178.3-176175.6175.400111.9Y213 A272Y213-E268 HydrophobicContact CD1-CB 4.24Å; Y213-E268 HydrophobicContact CD1-CG 3.95Å; Y213-E268 HydrophobicContact CD2-CB 4.43Å; Y213-E268 HydrophobicContact CE1-CB 4.03Å; Y213-E268 HydrophobicContact CE1-CG 4.18Å; Y213-E268 HydrophobicContact CE2-CB 4.26Å; Y213-E268 HydrophobicContact CG-CB 4.42Å; Y213-E268 HydrophobicContact CG-CG 4.18Å; E268-A272 VanDerWaalsContact O-CB 3.27Å; E268-A272 WeakPolarHBondContact O-CB 3.04Å; E268-A272 PolarHBondContact O-N 3.44Å
269A80.4Confident81.1Confident68 Ų6854.2 Ų54.256%0.56229%0.293SS*.Hα-helixtrans-73.5-40.8-179.300000111.3D267 A272 A273D267-A269 VanDerWaalsContact C-N 3.35Å; D267-A269 PolarHBondContact O-N 2.98Å; D267-A269 WeakPolarHBondContact OD1-CA 3.44Å; D267-A269 VanDerWaalsContact OD1-CB 3.28Å; D267-A269 WeakPolarHBondContact OD1-CB 3.14Å; D267-A269 PolarHBondContact OD1-N 2.99Å; A269-A272 WeakPolarHBondContact O-CB 3.28Å; A269-A272 PolarHBondContact O-N 3.33Å; A269-A273 PolarHBondContact O-N 3.28Å
270E81.9Confident80.9Confident117 Ų11757 Ų5755%0.54731%0.306SS..Hα-helixtrans-67.8-41.1175.8-64.1-174.5169.500112P265 D267 A272 A273 W274P265-E270 HydrophobicContact CB-CB 3.48Å; P265-E270 VanDerWaalsContact CB-CB 3.48Å; P265-E270 HydrophobicContact CG-CB 4.01Å; D267-E270 HydrophobicContact CB-CB 4.11Å; D267-E270 HydrophobicContact CB-CG 4.02Å; D267-E270 PolarHBondContact O-N 3.03Å; D267-E270 PolarHBondContact OD1-N 3.27Å; E270-A272 VanDerWaalsContact C-N 3.27Å; E270-A272 PolarHBondContact O-N 3.41Å; E270-A273 PolarHBondContact O-N 3.18Å; E270-W274 VanDerWaalsContact O-CB 3.31Å; E270-W274 WeakPolarHBondContact O-CB 3.4Å; E270-W274 PolarHBondContact O-N 3.11Å
271C79.8Confident80.8Confident2 Ų257.8 Ų57.81%0.01430%0.304CS..Hα-helixtrans-63-36.7174.2-177.20000111.2F212 Y213 D267 L275F212-C271 VanDerWaalsContact CE1-SG 3.56Å; Y213-C271 HydrophobicContact CD2-CB 4.13Å; D267-C271 WeakPolarHBondContact O-CB 3.42Å; D267-C271 PolarHBondContact O-N 3.48Å; C271-L275 WeakPolarHBondContact O-CB 3.33Å; C271-L275 PolarHBondContact O-N 3.26Å
272A78.4Confident80.9Confident17 Ų1757.4 Ų57.414%0.1430%0.302CS..Hα-helixtrans-64.7-48174.200000111.7T209 E268 A269 E270 W274 L275 H276T209-A272 HydrophobicContact CG2-CB 3.59Å; E268-A272 VanDerWaalsContact O-CB 3.27Å; E268-A272 WeakPolarHBondContact O-CB 3.04Å; E268-A272 PolarHBondContact O-N 3.44Å; A269-A272 WeakPolarHBondContact O-CB 3.28Å; A269-A272 PolarHBondContact O-N 3.33Å; E270-A272 VanDerWaalsContact C-N 3.27Å; E270-A272 PolarHBondContact O-N 3.41Å; A272-W274 VanDerWaalsContact C-N 3.33Å; A272-W274 PolarHBondContact O-N 2.91Å; A272-L275 PolarHBondContact O-N 2.98Å; A272-H276 PolarHBondContact O-CD2 2.86Å; A272-H276 PolarHBondContact O-N 3.31Å
273A81.5Confident81Confident60 Ų6049.4 Ų49.450%0.49627%0.265SS..Hα-helixtrans-61.4-41.9176.600000111.9A269 E270 H276 K277A269-A273 PolarHBondContact O-N 3.28Å; E270-A273 PolarHBondContact O-N 3.18Å; A273-H276 PolarHBondContact O-N 3.29Å; A273-K277 PolarHBondContact O-N 2.96Å
274W84.3Confident80.9Confident49 Ų4947.5 Ų47.519%0.18626%0.257CS..Hα-helixtrans-60.3-46.1175.7-177.990.7000112F212 I226 I259 V264 P265 E270 A272 H276 K277 L278F212-W274 HydrophobicContact CE1-CE3 4.03Å; F212-W274 AromaticContact CE1-CZ3 3.87Å; F212-W274 HydrophobicContact CE1-CZ3 3.87Å; F212-W274 HydrophobicContact CZ-CE3 4.25Å; F212-W274 AromaticContact CZ-CZ3 3.61Å; F212-W274 HydrophobicContact CZ-CZ3 3.61Å; I226-W274 HydrophobicContact CD1-CH2 4.23Å; I226-W274 HydrophobicContact CD1-CZ3 4.46Å; I259-W274 HydrophobicContact CD1-CH2 4.11Å; I259-W274 HydrophobicContact CD1-CZ2 3.91Å; I259-W274 HydrophobicContact CG2-CZ2 3.97Å; V264-W274 HydrophobicContact CG1-CD2 4.49Å; V264-W274 HydrophobicContact CG1-CE3 4.31Å; V264-W274 HydrophobicContact CG2-CH2 4.12Å; V264-W274 HydrophobicContact CG2-CZ2 4.17Å; V264-W274 HydrophobicContact CG2-CZ3 4.44Å; P265-W274 HydrophobicContact CG-CB 4.21Å; E270-W274 VanDerWaalsContact O-CB 3.31Å; E270-W274 WeakPolarHBondContact O-CB 3.4Å; E270-W274 PolarHBondContact O-N 3.11Å; A272-W274 VanDerWaalsContact C-N 3.33Å; A272-W274 PolarHBondContact O-N 2.91Å; W274-H276 VanDerWaalsContact C-N 3.33Å; W274-H276 PolarHBondContact O-N 3.16Å; W274-K277 PolarHBondContact O-N 3.22Å; W274-L278 HydrophobicContact CH2-CD1 3.27Å; W274-L278 HydrophobicContact CZ2-CD1 3.79Å; W274-L278 HydrophobicContact CZ3-CD1 3.69Å; W274-L278 WeakPolarHBondContact O-CB 3.22Å; W274-L278 PolarHBondContact O-N 2.72Å
275L80.6Confident80.8Confident0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-65.1-38.3177.6-172.965.8000111.6I93 C176 P207 T209 F212 C271 A272 L278 Y279I93-L275 HydrophobicContact CD1-CD1 4.35Å; C176-L275 HydrophobicContact CB-CD2 4.33Å; P207-L275 HydrophobicContact CB-CD2 3.73Å; P207-L275 HydrophobicContact CB-CG 3.86Å; P207-L275 HydrophobicContact CG-CD2 4.24Å; P207-L275 HydrophobicContact CG-CG 4Å; T209-L275 HydrophobicContact CG2-CB 4.45Å; T209-L275 HydrophobicContact CG2-CD2 4Å; F212-L275 HydrophobicContact CB-CD2 3.81Å; F212-L275 HydrophobicContact CD1-CB 4.32Å; F212-L275 HydrophobicContact CD1-CD1 4.11Å; F212-L275 HydrophobicContact CD1-CD2 3.83Å; F212-L275 HydrophobicContact CD1-CG 4.31Å; F212-L275 HydrophobicContact CD2-CD1 4.43Å; F212-L275 HydrophobicContact CE1-CB 4.46Å; F212-L275 HydrophobicContact CE1-CD1 4.16Å; F212-L275 HydrophobicContact CG-CD1 4.23Å; F212-L275 HydrophobicContact CG-CD2 3.87Å; F212-L275 HydrophobicContact CZ-CD1 4.36Å; C271-L275 WeakPolarHBondContact O-CB 3.33Å; C271-L275 PolarHBondContact O-N 3.26Å; A272-L275 PolarHBondContact O-N 2.98Å; L275-L278 PolarHBondContact O-N 2.89Å; L275-Y279 HydrophobicContact CD1-CD2 4.08Å; L275-Y279 HydrophobicContact CD1-CE2 3.98Å; L275-Y279 HydrophobicContact CG-CD2 4.25Å; L275-Y279 HydrophobicContact CG-CE2 4.41Å; L275-Y279 WeakPolarHBondContact O-CD2 3.22Å; L275-Y279 PolarHBondContact O-N 3.39Å
276H80.9Confident80.5Confident31 Ų3148 Ų4814%0.14426%0.256CS..Hα-helixtrans-62.2-44.1173.8-75.1-51.9000112A272 A273 W274 Y279 Q280A272-H276 PolarHBondContact O-CD2 2.86Å; A272-H276 PolarHBondContact O-N 3.31Å; A273-H276 PolarHBondContact O-N 3.29Å; W274-H276 VanDerWaalsContact C-N 3.33Å; W274-H276 PolarHBondContact O-N 3.16Å; H276-Y279 PolarHBondContact O-N 2.94Å; H276-Q280 WeakPolarHBondContact O-CG 3.41Å; H276-Q280 PolarHBondContact O-N 3.46Å
277K83.6Confident80.5Confident123 Ų12344.9 Ų44.954%0.53524%0.241SC..Hα-helixtrans-62-43.6175.4-173.6-179176.8-178.80111.8A273 W274 Y279 Q280 E281A273-K277 PolarHBondContact O-N 2.96Å; W274-K277 PolarHBondContact O-N 3.22Å; K277-Y279 VanDerWaalsContact C-N 3.29Å; K277-Y279 PolarHBondContact O-N 3.28Å; K277-Q280 WeakPolarHBondContact O-CB 3.34Å; K277-Q280 PolarHBondContact O-N 3.42Å; K277-Q280 VanDerWaalsContact O-N 3.09Å; K277-E281 PolarHBondContact O-N 2.91Å
278L83.8Confident80.3Confident5 Ų545.3 Ų45.33%0.02624%0.24CC..Hα-helixtrans-59.5-41176.8-179.5149.1000111.6D228 I259 W274 L275 E281 K282D228-L278 HydrophobicContact CB-CD1 4.38Å; D228-L278 WeakPolarHBondContact OD1-CD2 3.47Å; I259-L278 HydrophobicContact CD1-CD1 3.74Å; W274-L278 HydrophobicContact CH2-CD1 3.27Å; W274-L278 HydrophobicContact CZ2-CD1 3.79Å; W274-L278 HydrophobicContact CZ3-CD1 3.69Å; W274-L278 WeakPolarHBondContact O-CB 3.22Å; W274-L278 PolarHBondContact O-N 2.72Å; L275-L278 PolarHBondContact O-N 2.89Å; L278-E281 PolarHBondContact O-N 2.6Å; L278-K282 HydrophobicContact CD2-CD 4.28Å; L278-K282 HydrophobicContact CD2-CG 4.46Å; L278-K282 WeakPolarHBondContact O-CG 3.5Å; L278-K282 PolarHBondContact O-N 3.46Å
279Y80.1Confident80.2Confident0 Ų041.8 Ų41.80%022%0.223CC..Hα-helixtrans-69.6-29.7175.3-93.4-100.1000113.7I93 C176 E177 H204 P207 L275 H276 K277 K282 D283I93-Y279 HydrophobicContact CG2-CE2 4.3Å; C176-Y279 HydrophobicContact CB-CE2 3.85Å; C176-Y279 WeakPolarHBondContact CB-OH 3.44Å; E177-Y279 HydrophobicContact CG-CE1 3.6Å; E177-Y279 PolarHBondContact N-OH 3.42Å; H204-Y279 HydrophobicContact CB-CD1 4.02Å; H204-Y279 HydrophobicContact CB-CE1 4.38Å; P207-Y279 HydrophobicContact CB-CD1 4.32Å; P207-Y279 HydrophobicContact CB-CD2 3.59Å; P207-Y279 HydrophobicContact CB-CE1 4.32Å; P207-Y279 HydrophobicContact CB-CE2 3.58Å; P207-Y279 HydrophobicContact CB-CG 3.98Å; P207-Y279 HydrophobicContact CG-CD1 4.33Å; P207-Y279 HydrophobicContact CG-CD2 3.63Å; P207-Y279 HydrophobicContact CG-CE2 4.17Å; P207-Y279 HydrophobicContact CG-CG 3.72Å; L275-Y279 HydrophobicContact CD1-CD2 4.08Å; L275-Y279 HydrophobicContact CD1-CE2 3.98Å; L275-Y279 HydrophobicContact CG-CD2 4.25Å; L275-Y279 HydrophobicContact CG-CE2 4.41Å; L275-Y279 WeakPolarHBondContact O-CD2 3.22Å; L275-Y279 PolarHBondContact O-N 3.39Å; H276-Y279 PolarHBondContact O-N 2.94Å; K277-Y279 VanDerWaalsContact C-N 3.29Å; K277-Y279 PolarHBondContact O-N 3.28Å; Y279-K282 PolarHBondContact O-N 3.26Å; Y279-D283 PolarHBondContact O-N 2.85Å
280Q80.9Confident79.8Confident81 Ų8141.6 Ų41.638%0.37922%0.222SC..Hα-helixtrans-66.3-43.2170.7-67.7162.622.100111.4P199 L201 H276 K277 K282 D283 G284P199-Q280 HydrophobicContact CG-CG 4.18Å; L201-Q280 HydrophobicContact CD2-CB 4.34Å; L201-Q280 HydrophobicContact CD2-CG 3.84Å; H276-Q280 WeakPolarHBondContact O-CG 3.41Å; H276-Q280 PolarHBondContact O-N 3.46Å; K277-Q280 WeakPolarHBondContact O-CB 3.34Å; K277-Q280 PolarHBondContact O-N 3.42Å; K277-Q280 VanDerWaalsContact O-N 3.09Å; Q280-K282 VanDerWaalsContact C-N 3.32Å; Q280-K282 PolarHBondContact O-N 3.31Å; Q280-D283 WeakPolarHBondContact O-CB 3.25Å; Q280-D283 PolarHBondContact O-N 3.39Å; Q280-D283 VanDerWaalsContact O-N 3.17Å; Q280-G284 PolarHBondContact O-N 3.47Å
281E82.3Confident79.4Confident70 Ų7043.1 Ų43.133%0.32723%0.229SC..Hα-helixtrans-62.2-40.8175.4-68175-174.100111.4R257 K277 L278 D283 G284 F285R257-E281 IonicContact CZ-OE2 2.77Å; R257-E281 VanDerWaalsContact CZ-OE2 3.26Å; R257-E281 IonicContact NH1-OE2 3.32Å; R257-E281 PolarHBondContact NH1-OE2 3.41Å; R257-E281 IonicContact NH2-OE2 3.73Å; R257-E281 PolarHBondContact NH2-OE2 3.07Å; K277-E281 PolarHBondContact O-N 2.91Å; L278-E281 PolarHBondContact O-N 2.6Å; E281-D283 VanDerWaalsContact C-N 3.31Å; E281-D283 PolarHBondContact O-N 3.41Å; E281-G284 PolarHBondContact O-N 3.39Å; E281-F285 HydrophobicContact CB-CE2 4.34Å; E281-F285 WeakPolarHBondContact O-CD2 3.24Å; E281-F285 WeakPolarHBondContact O-CG 3.46Å; E281-F285 PolarHBondContact O-N 2.89Å
282K81.9Confident79.1Confident0 Ų047.6 Ų47.60%026%0.256CS..Hα-helixtrans-58.9-41.6172.3-74.7-168.2178.3-164.70113.1I93 H204 D228 S229 L278 Y279 Q280 G284 F285 Q286I93-K282 PolarHBondContact O-NZ 3.21Å; I93-K282 VanDerWaalsContact O-NZ 3.16Å; H204-K282 PolarHBondContact CE1-O 2.64Å; D228-K282 WeakPolarHBondContact OD1-CE 3.34Å; D228-K282 IonicContact OD1-NZ 3.79Å; D228-K282 PolarHBondContact OD1-NZ 2.98Å; S229-K282 PolarHBondContact O-NZ 2.93Å; L278-K282 HydrophobicContact CD2-CD 4.28Å; L278-K282 HydrophobicContact CD2-CG 4.46Å; L278-K282 WeakPolarHBondContact O-CG 3.5Å; L278-K282 PolarHBondContact O-N 3.46Å; Y279-K282 PolarHBondContact O-N 3.26Å; Q280-K282 VanDerWaalsContact C-N 3.32Å; Q280-K282 PolarHBondContact O-N 3.31Å; K282-G284 VanDerWaalsContact C-N 3.3Å; K282-F285 PolarHBondContact O-N 2.66Å; K282-Q286 PolarHBondContact O-N 2.83Å
283D79.8Confident78.6Confident14 Ų1448.6 Ų48.68%0.07527%0.268CS..Hα-helixtrans-62.2-42.5178.6-149.563000110.9L201 K202 Y203 H204 Y279 Q280 E281 Q286 E287L201-D283 HydrophobicContact CD2-CB 4.03Å; K202-D283 PolarHBondContact N-OD1 3.21Å; K202-D283 PolarHBondContact N-OD2 2.88Å; Y203-D283 WeakPolarHBondContact CA-OD1 3.48Å; Y203-D283 WeakPolarHBondContact CB-OD1 3.35Å; Y203-D283 PolarHBondContact N-OD1 3.06Å; H204-D283 PolarHBondContact N-OD1 3.06Å; H204-D283 IonicContact ND1-OD1 3.6Å; H204-D283 PolarHBondContact ND1-OD1 3.49Å; Y279-D283 PolarHBondContact O-N 2.85Å; Q280-D283 WeakPolarHBondContact O-CB 3.25Å; Q280-D283 PolarHBondContact O-N 3.39Å; Q280-D283 VanDerWaalsContact O-N 3.17Å; E281-D283 VanDerWaalsContact C-N 3.31Å; E281-D283 PolarHBondContact O-N 3.41Å; D283-Q286 PolarHBondContact O-N 3.26Å; D283-E287 PolarHBondContact O-N 3.37Å
284G77.6Confident78.1Confident27 Ų2753.3 Ų53.328%0.27827%0.273SS..Hα-helixtrans-60.7-42.5172.200000113.1Q280 E281 K282 Q286 E287 Q288Q280-G284 PolarHBondContact O-N 3.47Å; E281-G284 PolarHBondContact O-N 3.39Å; K282-G284 VanDerWaalsContact C-N 3.3Å; G284-Q286 VanDerWaalsContact C-N 3.35Å; G284-Q286 PolarHBondContact O-N 3.29Å; G284-E287 PolarHBondContact O-N 3.36Å; G284-Q288 WeakPolarHBondContact O-CG 2.99Å; G284-Q288 PolarHBondContact O-N 3.31Å
285F77.9Confident77.6Confident36 Ų3651.3 Ų51.316%0.15827%0.266CS..Hα-helixtrans-65.1-36.3175.7-64.5-43.4000112.9Y255 E281 K282 Y289 P296Y255-F285 HydrophobicContact CD1-CD2 4.4Å; Y255-F285 AromaticContact CE1-CD2 3.99Å; Y255-F285 HydrophobicContact CE1-CD2 3.99Å; Y255-F285 AromaticContact CE1-CE2 3.87Å; Y255-F285 HydrophobicContact CE1-CE2 3.87Å; Y255-F285 HydrophobicContact CE1-CZ 4.32Å; E281-F285 HydrophobicContact CB-CE2 4.34Å; E281-F285 WeakPolarHBondContact O-CD2 3.24Å; E281-F285 WeakPolarHBondContact O-CG 3.46Å; E281-F285 PolarHBondContact O-N 2.89Å; K282-F285 PolarHBondContact O-N 2.66Å; F285-Y289 WeakPolarHBondContact O-CB 3.29Å; F285-Y289 PolarHBondContact O-N 3Å; F285-P296 HydrophobicContact CD1-CG 3.81Å; F285-P296 HydrophobicContact CE1-CG 4.03Å
286Q74.6Confident76.9Confident12 Ų1253.7 Ų53.76%0.05628%0.281CS..Hα-helixtrans-68.7-39.5173.7-78.5-69.90.900111.9Y203 H204 T230 N232 K282 D283 G284 Y289 A290Y203-Q286 HydrophobicContact CD2-CB 4.11Å; Y203-Q286 HydrophobicContact CG-CB 3.97Å; H204-Q286 WeakPolarHBondContact CE1-CG 3.43Å; T230-Q286 HydrophobicContact CG2-CG 4.05Å; N232-Q286 PolarHBondContact ND2-OE1 3.5Å; K282-Q286 PolarHBondContact O-N 2.83Å; D283-Q286 PolarHBondContact O-N 3.26Å; G284-Q286 VanDerWaalsContact C-N 3.35Å; G284-Q286 PolarHBondContact O-N 3.29Å; Q286-Y289 PolarHBondContact O-N 3.17Å; Q286-A290 WeakPolarHBondContact O-CB 3.38Å; Q286-A290 PolarHBondContact O-N 3.17Å
287E78.5Confident76.1Confident61 Ų6154.3 Ų54.329%0.28530%0.296SS..Hα-helixtrans-62.6-44.4175.5-169.7167.1-132.500111.1K202 Y203 D283 G284 Y289 A290 Q291K202-E287 IonicContact NZ-OE1 2.94Å; K202-E287 PolarHBondContact NZ-OE1 3.42Å; Y203-E287 HydrophobicContact CD2-CB 4.45Å; Y203-E287 HydrophobicContact CE2-CB 3.81Å; Y203-E287 HydrophobicContact CE2-CG 4.2Å; D283-E287 PolarHBondContact O-N 3.37Å; G284-E287 PolarHBondContact O-N 3.36Å; E287-Y289 PolarHBondContact O-N 3.5Å; E287-A290 PolarHBondContact O-N 3.4Å; E287-Q291 WeakPolarHBondContact O-CG 3.48Å; E287-Q291 PolarHBondContact O-N 2.86Å; E287-Q291 VanDerWaalsContact O-N 3.11Å
288Q77.9Confident75.5Confident94 Ų9451.6 Ų51.644%0.43929%0.291SS..Hα-helixtrans-61.2-42.8173.4-73.6180-23.300112.1G284 A290 Q291 T292G284-Q288 WeakPolarHBondContact O-CG 2.99Å; G284-Q288 PolarHBondContact O-N 3.31Å; Q288-A290 VanDerWaalsContact C-N 3.34Å; Q288-Q291 PolarHBondContact O-N 2.95Å; Q288-T292 WeakPolarHBondContact O-CB 3.24Å; Q288-T292 PolarHBondContact O-N 3.37Å; Q288-T292 PolarHBondContact O-OG1 3.42Å
289Y76.9Confident75.1Confident10 Ų1055.6 Ų55.64%0.03931%0.312CS..Hα-helixtrans-64.7-39176.7-173.4-82.9000111.7N232 R234 D253 F285 Q286 E287 Q291 G293 F295N232-Y289 HydrophobicContact CB-CD1 4.2Å; N232-Y289 HydrophobicContact CB-CE1 3.89Å; N232-Y289 WeakPolarHBondContact ND2-CD1 3.2Å; N232-Y289 WeakPolarHBondContact ND2-CE1 3.1Å; R234-Y289 WeakPolarHBondContact CG-OH 3.05Å; D253-Y289 HydrophobicContact CB-CE2 4Å; D253-Y289 PolarHBondContact OD2-OH 3.14Å; F285-Y289 WeakPolarHBondContact O-CB 3.29Å; F285-Y289 PolarHBondContact O-N 3Å; Q286-Y289 PolarHBondContact O-N 3.17Å; E287-Y289 PolarHBondContact O-N 3.5Å; Y289-Q291 VanDerWaalsContact C-N 3.25Å; Y289-Q291 PolarHBondContact O-N 3.22Å; Y289-G293 WeakPolarHBondContact O-CA 3.38Å; Y289-G293 PolarHBondContact O-N 2.7Å; Y289-F295 HydrophobicContact CD2-CB 4.33Å; Y289-F295 AromaticContact CD2-CD1 3.71Å; Y289-F295 HydrophobicContact CD2-CD1 3.71Å; Y289-F295 AromaticContact CD2-CD2 3.42Å; Y289-F295 HydrophobicContact CD2-CD2 3.42Å; Y289-F295 VanDerWaalsContact CD2-CD2 3.42Å; Y289-F295 AromaticContact CD2-CE1 3.75Å; Y289-F295 HydrophobicContact CD2-CE1 3.75Å; Y289-F295 AromaticContact CD2-CE2 3.45Å; Y289-F295 HydrophobicContact CD2-CE2 3.45Å; Y289-F295 VanDerWaalsContact CD2-CE2 3.45Å; Y289-F295 AromaticContact CD2-CG 3.55Å; Y289-F295 HydrophobicContact CD2-CG 3.55Å; Y289-F295 AromaticContact CD2-CZ 3.62Å; Y289-F295 HydrophobicContact CD2-CZ 3.62Å; Y289-F295 AromaticContact CE2-CD2 3.51Å; Y289-F295 HydrophobicContact CE2-CD2 3.51Å; Y289-F295 AromaticContact CE2-CE2 3.52Å; Y289-F295 HydrophobicContact CE2-CE2 3.52Å; Y289-F295 HydrophobicContact CE2-CG 4.09Å; Y289-F295 HydrophobicContact CE2-CZ 4.11Å; Y289-F295 HydrophobicContact CG-CD1 4.26Å; Y289-F295 HydrophobicContact CG-CD2 4.48Å; Y289-F295 AromaticContact CG-CE1 3.96Å; Y289-F295 HydrophobicContact CG-CE1 3.96Å; Y289-F295 HydrophobicContact CG-CE2 4.19Å; Y289-F295 AromaticContact CG-CZ 3.93Å; Y289-F295 HydrophobicContact CG-CZ 3.93Å
290A72.7Confident74.7Confident64 Ų6457.2 Ų57.253%0.52932%0.322SS..Hα-helixtrans-63.4-32.6176.500000112.2Q286 E287 Q288Q286-A290 WeakPolarHBondContact O-CB 3.38Å; Q286-A290 PolarHBondContact O-N 3.17Å; E287-A290 PolarHBondContact O-N 3.4Å; Q288-A290 VanDerWaalsContact C-N 3.34Å
291Q73.4Confident74Confident149 Ų14957.3 Ų57.370%0.69633%0.331SS*.Hα-helixtrans-83.3-39.9178.4-67.8174.910.300113.3E287 Q288 Y289E287-Q291 WeakPolarHBondContact O-CG 3.48Å; E287-Q291 PolarHBondContact O-N 2.86Å; E287-Q291 VanDerWaalsContact O-N 3.11Å; Q288-Q291 PolarHBondContact O-N 2.95Å; Y289-Q291 VanDerWaalsContact C-N 3.25Å; Y289-Q291 PolarHBondContact O-N 3.22Å
292T72.7Confident73.3Confident97 Ų9754 Ų5460%0.59532%0.316SS*.Hα-helixtrans-104.4-15.2-170.762.90000114Q288 R294Q288-T292 WeakPolarHBondContact O-CB 3.24Å; Q288-T292 PolarHBondContact O-N 3.37Å; Q288-T292 PolarHBondContact O-OG1 3.42Å; T292-R294 PolarHBondContact O-N 2.9Å; T292-R294 PolarHBondContact OG1-O 2.96Å; T292-R294 VanDerWaalsContact OG1-O 3.09Å
293G68.1Low72.9Confident38 Ų3859 Ų5939%0.39235%0.348SS..SBendtrans69.89.9-175.800000114.8Y289Y289-G293 WeakPolarHBondContact O-CA 3.38Å; Y289-G293 PolarHBondContact O-N 2.7Å
294R72.5Confident72.8Confident158 Ų15863.1 Ų63.160%0.59636%0.363SS*.SBendtrans-143.1150180-66-172.5179.8-176.90.5111.4T292T292-R294 PolarHBondContact O-N 2.9Å; T292-R294 PolarHBondContact OG1-O 2.96Å; T292-R294 VanDerWaalsContact OG1-O 3.09Å
295F73.9Confident72.8Confident8 Ų865.9 Ų65.94%0.03536%0.364CS..  trans-82.1152.3171.8-75.6-65.2000110.8Y76 T230 N232 D253 Y255 Y289 G297Y76-F295 HydrophobicContact CD1-CB 3.98Å; Y76-F295 WeakPolarHBondContact CD1-O 3.28Å; Y76-F295 HydrophobicContact CD2-CB 4.12Å; Y76-F295 HydrophobicContact CD2-CD2 4.19Å; Y76-F295 HydrophobicContact CE1-CB 4.37Å; Y76-F295 HydrophobicContact CE2-CD2 4.36Å; Y76-F295 HydrophobicContact CG-CB 3.83Å; T230-F295 HydrophobicContact CG2-CE1 4.09Å; T230-F295 HydrophobicContact CG2-CZ 4.02Å; N232-F295 HydrophobicContact CB-CE2 3.96Å; N232-F295 HydrophobicContact CB-CZ 3.76Å; D253-F295 HydrophobicContact CB-CD2 4.05Å; D253-F295 HydrophobicContact CB-CE2 4.08Å; D253-F295 WeakPolarHBondContact O-CE2 3.32Å; Y255-F295 HydrophobicContact CD2-CB 4.27Å; Y255-F295 HydrophobicContact CG-CB 4.4Å; Y255-F295 HydrophobicContact CG-CG 4.46Å; Y289-F295 HydrophobicContact CD2-CB 4.33Å; Y289-F295 AromaticContact CD2-CD1 3.71Å; Y289-F295 HydrophobicContact CD2-CD1 3.71Å; Y289-F295 AromaticContact CD2-CD2 3.42Å; Y289-F295 HydrophobicContact CD2-CD2 3.42Å; Y289-F295 VanDerWaalsContact CD2-CD2 3.42Å; Y289-F295 AromaticContact CD2-CE1 3.75Å; Y289-F295 HydrophobicContact CD2-CE1 3.75Å; Y289-F295 AromaticContact CD2-CE2 3.45Å; Y289-F295 HydrophobicContact CD2-CE2 3.45Å; Y289-F295 VanDerWaalsContact CD2-CE2 3.45Å; Y289-F295 AromaticContact CD2-CG 3.55Å; Y289-F295 HydrophobicContact CD2-CG 3.55Å; Y289-F295 AromaticContact CD2-CZ 3.62Å; Y289-F295 HydrophobicContact CD2-CZ 3.62Å; Y289-F295 AromaticContact CE2-CD2 3.51Å; Y289-F295 HydrophobicContact CE2-CD2 3.51Å; Y289-F295 AromaticContact CE2-CE2 3.52Å; Y289-F295 HydrophobicContact CE2-CE2 3.52Å; Y289-F295 HydrophobicContact CE2-CG 4.09Å; Y289-F295 HydrophobicContact CE2-CZ 4.11Å; Y289-F295 HydrophobicContact CG-CD1 4.26Å; Y289-F295 HydrophobicContact CG-CD2 4.48Å; Y289-F295 AromaticContact CG-CE1 3.96Å; Y289-F295 HydrophobicContact CG-CE1 3.96Å; Y289-F295 HydrophobicContact CG-CE2 4.19Å; Y289-F295 AromaticContact CG-CZ 3.93Å; Y289-F295 HydrophobicContact CG-CZ 3.93Å; F295-G297 PolarHBondContact O-N 2.62Å
296P65.2Low73.1Confident49 Ų4967.2 Ų67.232%0.31838%0.377SS..SBendtrans-66.1131172.626.3-31.8000110.5Y255 F285Y255-P296 WeakPolarHBondContact CD2-O 3.47Å; Y255-P296 WeakPolarHBondContact CE2-O 3.5Å; F285-P296 HydrophobicContact CD1-CG 3.81Å; F285-P296 HydrophobicContact CE1-CG 4.03Å
297G64.6Low73.6Confident45 Ų4574 Ų7446%0.46440%0.402SS..SBendtrans127164.5173.900000114.3F295F295-G297 PolarHBondContact O-N 2.62Å
298P71.3Confident73.9Confident66 Ų6671.1 Ų71.143%0.42939%0.389SS..  trans-71.2141.3178.129.1-30.8000110.5T77 P79 V300T77-P298 PolarHBondContact N-O 3.38Å; T77-P298 WeakPolarHBondContact O-CG 3.17Å; P79-P298 HydrophobicContact CG-CG 3.73Å; P298-V300 PolarHBondContact O-N 3.47Å
299I74.5Confident74.3Confident89 Ų8969 Ų6946%0.45638%0.38SS..EExtended strand (participates in β ladder)trans-79.1118.4176.5-65.8166.1000108.1T74 Y76T74-I299 HydrophobicContact CG2-CB 4.41Å; T74-I299 HydrophobicContact CG2-CG1 4.26Å; T74-I299 HydrophobicContact CG2-CG2 3.43Å; T74-I299 VanDerWaalsContact CG2-CG2 3.43Å; Y76-I299 HydrophobicContact CD1-CG1 3.85Å; Y76-I299 HydrophobicContact CE1-CD1 3.96Å; Y76-I299 HydrophobicContact CE1-CG1 3.42Å; Y76-I299 VanDerWaalsContact CE1-CG1 3.42Å
300V70.9Confident74.9Confident34 Ų3472.7 Ų72.721%0.20640%0.399CS..EExtended strand (participates in β ladder)trans-117.3107.4170-172.80000106.7L75 T77 Y82 P298 P302L75-V300 VanDerWaalsContact CB-O 3.28Å; L75-V300 WeakPolarHBondContact CB-O 3.47Å; L75-V300 PolarHBondContact O-N 3.42Å; L75-V300 VanDerWaalsContact O-O 3.08Å; T77-V300 HydrophobicContact CG2-CG2 4.42Å; Y82-V300 HydrophobicContact CD2-CB 4.29Å; Y82-V300 HydrophobicContact CD2-CG1 3.63Å; Y82-V300 HydrophobicContact CE2-CB 4.27Å; Y82-V300 HydrophobicContact CE2-CG1 3.32Å; Y82-V300 HydrophobicContact CG-CG1 4.33Å; P298-V300 PolarHBondContact O-N 3.47Å; V300-P302 WeakPolarHBondContact O-CD 3.45Å
301S67.6Low75.6Confident82 Ų8270.6 Ų70.657%0.57338%0.38SS*.  trans-95.4101.9173.6-169.10000109.2
302P67.8Low76.3Confident2 Ų266.5 Ų66.51%0.01336%0.358CS..PPolyproline II helixtrans-61.4141.8175.19.7-14.9000110.5L75 Y82 R111 V300L75-P302 HydrophobicContact CD2-CG 4.46Å; Y82-P302 WeakPolarHBondContact OH-CB 3.32Å; R111-P302 HydrophobicContact CB-CB 4.05Å; R111-P302 HydrophobicContact CB-CG 4.22Å; R111-P302 HydrophobicContact CG-CB 4.41Å; R111-P302 PolarHBondContact NH1-O 3.42Å; V300-P302 WeakPolarHBondContact O-CD 3.45Å
303P73.2Confident77Confident104 Ų10466 Ų6668%0.67535%0.351SS*.PPolyproline II helixtrans-63.6147.4-17926.6-34.1000111.5R305P303-R305 PolarHBondContact O-N 2.96Å
304R77.1Confident78.2Confident101 Ų10169.8 Ų69.838%0.38136%0.357SS..PPolyproline II helixtrans-66.7129.5175.1-61.6-179.7-171.9-179.80.6108.9W67W67-R304 HydrophobicContact CZ2-CB 4.11Å
305R77.8Confident79Confident84 Ų8463.3 Ų63.332%0.31733%0.332SS..PPolyproline II helixtrans-83.6133.1174.6-65.8-167.2-176.9-166.9-0.5109.6E110 R111 F112 P303 W307 S308E110-R305 WeakPolarHBondContact O-CD 3.26Å; E110-R305 PolarHBondContact O-NE 2.89Å; R111-R305 PolarHBondContact O-NE 3.49Å; R111-R305 PolarHBondContact O-NH2 3.28Å; F112-R305 PolarHBondContact O-NH2 3.1Å; P303-R305 PolarHBondContact O-N 2.96Å; R305-W307 PolarHBondContact O-N 3.24Å; R305-S308 PolarHBondContact O-OG 2.91Å
306P84.2Confident79.6Confident65 Ų6563.4 Ų63.442%0.42233%0.334SS..THydrogen-bonded Turntrans-74.6-15.1-179.230.8-35.4000112.9S308 L309 I310P306-S308 VanDerWaalsContact C-N 3.28Å; P306-S308 PolarHBondContact O-N 3.42Å; P306-L309 WeakPolarHBondContact O-CB 3.37Å; P306-L309 PolarHBondContact O-N 3.47Å; P306-I310 HydrophobicContact CB-CD1 4.18Å; P306-I310 WeakPolarHBondContact O-CG1 3.33Å; P306-I310 PolarHBondContact O-N 3.28Å
307W85.4Confident80.7Confident155 Ų15565.4 Ų65.459%0.58735%0.348SS*.Hα-helixtrans-57.8-37-175-57.1120.1000113.8Y55 R305 L309 I310 N311Y55-W307 WeakPolarHBondContact OH-CB 3.37Å; R305-W307 PolarHBondContact O-N 3.24Å; W307-L309 VanDerWaalsContact C-N 3.34Å; W307-L309 PolarHBondContact O-N 3.48Å; W307-I310 HydrophobicContact CE3-CD1 4Å; W307-I310 HydrophobicContact CZ3-CD1 4.23Å; W307-I310 PolarHBondContact O-N 3.18Å; W307-N311 WeakPolarHBondContact O-CB 3.48Å; W307-N311 PolarHBondContact O-N 3.03Å
308S84.5Confident81.9Confident0 Ų066.3 Ų66.30%035%0.345CS..Hα-helixtrans-63.2-41.1176.457.90000112W67 R305 P306 W312W67-S308 PolarHBondContact NE1-OG 3.06Å; R305-S308 PolarHBondContact O-OG 2.91Å; P306-S308 VanDerWaalsContact C-N 3.28Å; P306-S308 PolarHBondContact O-N 3.42Å; S308-W312 WeakPolarHBondContact O-CB 3.37Å; S308-W312 PolarHBondContact O-N 2.74Å; S308-W312 VanDerWaalsContact O-N 3.08Å
309L86.2Confident82.6Confident49 Ų4963.4 Ų63.426%0.25733%0.325SS..Hα-helixtrans-70.7-44.1176.1-178.464.6000111.8W67 P306 W307 N311 W312 L313W67-L309 HydrophobicContact CB-CD1 4.36Å; W67-L309 HydrophobicContact CD2-CB 4.16Å; W67-L309 HydrophobicContact CD2-CD2 4.03Å; W67-L309 HydrophobicContact CD2-CG 4.49Å; W67-L309 HydrophobicContact CE3-CD2 3.9Å; W67-L309 HydrophobicContact CG-CB 4.26Å; W67-L309 HydrophobicContact CG-CD1 4.31Å; W67-L309 HydrophobicContact CH2-CD2 4.42Å; W67-L309 HydrophobicContact CZ2-CB 4.45Å; W67-L309 HydrophobicContact CZ3-CD2 4.1Å; P306-L309 WeakPolarHBondContact O-CB 3.37Å; P306-L309 PolarHBondContact O-N 3.47Å; W307-L309 VanDerWaalsContact C-N 3.34Å; W307-L309 PolarHBondContact O-N 3.48Å; L309-N311 VanDerWaalsContact C-N 3.33Å; L309-N311 PolarHBondContact O-N 3.32Å; L309-W312 HydrophobicContact CD1-CE3 4.23Å; L309-W312 PolarHBondContact O-N 3.4Å; L309-L313 HydrophobicContact CD1-CG 4.41Å; L309-L313 HydrophobicContact CG-CD1 4.15Å; L309-L313 HydrophobicContact CG-CG 4.46Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.32Å
310I88.5Confident83.2Confident87 Ų8761.8 Ų61.845%0.44632%0.317SS..Hα-helixtrans-60.2-45.9178.3-66.4166.3000110.2P306 W307 W312 L313 F314P306-I310 HydrophobicContact CB-CD1 4.18Å; P306-I310 WeakPolarHBondContact O-CG1 3.33Å; P306-I310 PolarHBondContact O-N 3.28Å; W307-I310 HydrophobicContact CE3-CD1 4Å; W307-I310 HydrophobicContact CZ3-CD1 4.23Å; W307-I310 PolarHBondContact O-N 3.18Å; I310-W312 VanDerWaalsContact C-N 3.33Å; I310-W312 PolarHBondContact O-N 2.87Å; I310-L313 PolarHBondContact O-N 2.9Å; I310-F314 WeakPolarHBondContact O-CB 3.35Å; I310-F314 PolarHBondContact O-N 2.83Å
311N88.8Confident83.9Confident21 Ų2168 Ų6811%0.11234%0.338CS..Hα-helixtrans-62.8-41.4176.9-177.157.1000111.4C56 S59 W307 L309 F314 W315C56-N311 WeakPolarHBondContact CA-ND2 3.47Å; C56-N311 PolarHBondContact O-ND2 3.46Å; S59-N311 PolarHBondContact OG-ND2 2.98Å; W307-N311 WeakPolarHBondContact O-CB 3.48Å; W307-N311 PolarHBondContact O-N 3.03Å; L309-N311 VanDerWaalsContact C-N 3.33Å; L309-N311 PolarHBondContact O-N 3.32Å; N311-F314 PolarHBondContact O-N 3.12Å; N311-W315 VanDerWaalsContact O-CD1 3.25Å; N311-W315 PolarHBondContact O-N 3.34Å; N311-W315 PolarHBondContact OD1-NE1 3.46Å; N311-W315 VanDerWaalsContact OD1-NE1 3.16Å
312W87.4Confident84.6Confident63 Ų6367.2 Ų67.224%0.23933%0.332CS..Hα-helixtrans-62.3-43.5175.7-178.180.7000112.3M17 A63 S308 L309 I310 S316M17-W312 HydrophobicContact CG-CZ2 4.33Å; A63-W312 HydrophobicContact CB-CB 4.16Å; S308-W312 WeakPolarHBondContact O-CB 3.37Å; S308-W312 PolarHBondContact O-N 2.74Å; S308-W312 VanDerWaalsContact O-N 3.08Å; L309-W312 HydrophobicContact CD1-CE3 4.23Å; L309-W312 PolarHBondContact O-N 3.4Å; I310-W312 VanDerWaalsContact C-N 3.33Å; I310-W312 PolarHBondContact O-N 2.87Å; W312-S316 VanDerWaalsContact O-CB 3.28Å; W312-S316 WeakPolarHBondContact O-CB 3.35Å; W312-S316 PolarHBondContact O-N 3.31Å; W312-S316 PolarHBondContact O-OG 2.72Å
313L88.6Confident85.2Confident86 Ų8669.1 Ų69.145%0.4534%0.342SS..Hα-helixtrans-64.5-43.7176.5-71.3172.5000111.7L309 I310 S316 C317L309-L313 HydrophobicContact CD1-CG 4.41Å; L309-L313 HydrophobicContact CG-CD1 4.15Å; L309-L313 HydrophobicContact CG-CG 4.46Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.32Å; I310-L313 PolarHBondContact O-N 2.9Å; L313-S316 WeakPolarHBondContact O-CB 3.15Å; L313-S316 PolarHBondContact O-N 2.9Å; L313-C317 PolarHBondContact O-N 3.19Å; L313-C317 PolarHBondContact O-SG 2.8Å
314F91.6Very high85.5Confident117 Ų11766 Ų6651%0.51333%0.328SS..Hα-helixtrans-56.3-53.3176.1171.8-98.4000111.5I310 N311 S316 C317 V318I310-F314 WeakPolarHBondContact O-CB 3.35Å; I310-F314 PolarHBondContact O-N 2.83Å; N311-F314 PolarHBondContact O-N 3.12Å; F314-S316 VanDerWaalsContact C-N 3.31Å; F314-S316 PolarHBondContact O-N 3Å; F314-C317 PolarHBondContact O-N 2.99Å; F314-V318 HydrophobicContact CD1-CG2 4.5Å; F314-V318 HydrophobicContact CD2-CG2 4.42Å; F314-V318 HydrophobicContact CE1-CG2 4.1Å; F314-V318 HydrophobicContact CE2-CG2 4.02Å; F314-V318 HydrophobicContact CZ-CG2 3.85Å; F314-V318 WeakPolarHBondContact O-CG2 3.38Å; F314-V318 PolarHBondContact O-N 3.42Å
315W89.3Confident85.8Confident22 Ų2265 Ų658%0.08333%0.33CS..Hα-helixtrans-65.8-35178.4-77.8109.8000112.6V20 S24 I27 V28 N311 C317 V318 V319V20-W315 HydrophobicContact CG1-CB 4.29Å; S24-W315 VanDerWaalsContact CB-CE3 3.47Å; I27-W315 HydrophobicContact CB-CZ3 4.43Å; I27-W315 HydrophobicContact CD1-CZ3 4.38Å; I27-W315 HydrophobicContact CG2-CH2 4.03Å; I27-W315 HydrophobicContact CG2-CZ3 4.11Å; V28-W315 HydrophobicContact CG2-CH2 3.93Å; V28-W315 HydrophobicContact CG2-CZ2 3.57Å; N311-W315 VanDerWaalsContact O-CD1 3.25Å; N311-W315 PolarHBondContact O-N 3.34Å; N311-W315 PolarHBondContact OD1-NE1 3.46Å; N311-W315 VanDerWaalsContact OD1-NE1 3.16Å; W315-C317 PolarHBondContact O-N 3.17Å; W315-V318 HydrophobicContact CE3-CB 4.5Å; W315-V318 HydrophobicContact CE3-CG1 4.37Å; W315-V318 HydrophobicContact CZ3-CG1 4.37Å; W315-V318 PolarHBondContact O-N 2.78Å; W315-V319 HydrophobicContact CE3-CG2 4.18Å; W315-V319 WeakPolarHBondContact O-CB 3.4Å; W315-V319 VanDerWaalsContact O-CG2 3.24Å; W315-V319 WeakPolarHBondContact O-CG2 3.31Å; W315-V319 PolarHBondContact O-N 3.3Å
316S87.8Confident85.8Confident11 Ų1165.3 Ų65.38%0.07734%0.337CS..Hα-helixtrans-60.4-45.4173.6-61.40000110.9W312 L313 F314 L320W312-S316 VanDerWaalsContact O-CB 3.28Å; W312-S316 WeakPolarHBondContact O-CB 3.35Å; W312-S316 PolarHBondContact O-N 3.31Å; W312-S316 PolarHBondContact O-OG 2.72Å; L313-S316 WeakPolarHBondContact O-CB 3.15Å; L313-S316 PolarHBondContact O-N 2.9Å; F314-S316 VanDerWaalsContact C-N 3.31Å; F314-S316 PolarHBondContact O-N 3Å; S316-L320 WeakPolarHBondContact O-CA 3.48Å; S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 WeakPolarHBondContact O-CG 3.3Å; S316-L320 PolarHBondContact O-N 2.91Å
317C88.1Confident85.4Confident90 Ų9066.1 Ų66.161%0.60834%0.337SS*.Hα-helixtrans-62.9-47175.9-67.40000112.2L313 F314 W315 V319 Y321L313-C317 PolarHBondContact O-N 3.19Å; L313-C317 PolarHBondContact O-SG 2.8Å; F314-C317 PolarHBondContact O-N 2.99Å; W315-C317 PolarHBondContact O-N 3.17Å; C317-V319 VanDerWaalsContact C-N 3.34Å; C317-V319 PolarHBondContact O-N 2.93Å; C317-Y321 WeakPolarHBondContact O-CB 3.39Å; C317-Y321 PolarHBondContact O-N 3.42Å
318V88.8Confident85.1Confident65 Ų6561.4 Ų61.439%0.39433%0.331SS..Hα-helixtrans-63.4-38.6-177.1170.80000112.2F314 W315 P322F314-V318 HydrophobicContact CD1-CG2 4.5Å; F314-V318 HydrophobicContact CD2-CG2 4.42Å; F314-V318 HydrophobicContact CE1-CG2 4.1Å; F314-V318 HydrophobicContact CE2-CG2 4.02Å; F314-V318 HydrophobicContact CZ-CG2 3.85Å; F314-V318 WeakPolarHBondContact O-CG2 3.38Å; F314-V318 PolarHBondContact O-N 3.42Å; W315-V318 HydrophobicContact CE3-CB 4.5Å; W315-V318 HydrophobicContact CE3-CG1 4.37Å; W315-V318 HydrophobicContact CZ3-CG1 4.37Å; W315-V318 PolarHBondContact O-N 2.78Å; V318-P322 WeakPolarHBondContact O-CD 3.44Å; V318-P322 VanDerWaalsContact O-CG 3.29Å; V318-P322 WeakPolarHBondContact O-CG 3.47Å
319V87.6Confident84.7Confident4 Ų467.4 Ų67.42%0.02436%0.359CS..Hα-helixtrans-94.2-35-174-174.10000111.7Y19 V23 W315 C317 P322 L323Y19-V319 HydrophobicContact CD1-CG1 3.97Å; Y19-V319 HydrophobicContact CE1-CG1 3.32Å; V23-V319 HydrophobicContact CB-CG1 3.73Å; V23-V319 HydrophobicContact CG1-CG1 3.67Å; V23-V319 HydrophobicContact CG1-CG2 4.49Å; V23-V319 HydrophobicContact CG2-CG1 4.44Å; W315-V319 HydrophobicContact CE3-CG2 4.18Å; W315-V319 WeakPolarHBondContact O-CB 3.4Å; W315-V319 VanDerWaalsContact O-CG2 3.24Å; W315-V319 WeakPolarHBondContact O-CG2 3.31Å; W315-V319 PolarHBondContact O-N 3.3Å; C317-V319 VanDerWaalsContact C-N 3.34Å; C317-V319 PolarHBondContact O-N 2.93Å; V319-P322 WeakPolarHBondContact O-CD 3.33Å; V319-P322 WeakPolarHBondContact O-CG 3.36Å; V319-L323 PolarHBondContact O-N 2.82Å
320L86Confident84.1Confident55 Ų5566.3 Ų66.329%0.28835%0.354SS..Hα-helixtrans-78.7-28-179-60.2175.4000113.1I16 Y19 V20 S316 L323 G324I16-L320 HydrophobicContact CG2-CD1 3.99Å; I16-L320 HydrophobicContact CG2-CD2 3.97Å; Y19-L320 HydrophobicContact CD1-CD2 4.13Å; Y19-L320 HydrophobicContact CE1-CD2 4.42Å; V20-L320 HydrophobicContact CG2-CD1 4.19Å; V20-L320 HydrophobicContact CG2-CD2 3.87Å; V20-L320 HydrophobicContact CG2-CG 3.93Å; S316-L320 WeakPolarHBondContact O-CA 3.48Å; S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 WeakPolarHBondContact O-CG 3.3Å; S316-L320 PolarHBondContact O-N 2.91Å; L320-L323 HydrophobicContact CD2-CD2 4.09Å; L320-L323 PolarHBondContact O-N 3.04Å; L320-G324 PolarHBondContact O-N 2.87Å
321Y85.9Confident83.4Confident164 Ų16469 Ų6964%0.64337%0.368SS*.Hα-helixtrans-59.4-54.5174.8179.7-103.5000113.1C317 L323 G324 L325C317-Y321 WeakPolarHBondContact O-CB 3.39Å; C317-Y321 PolarHBondContact O-N 3.42Å; Y321-L323 VanDerWaalsContact C-N 3.31Å; Y321-L323 PolarHBondContact O-N 3.4Å; Y321-G324 PolarHBondContact O-N 2.9Å; Y321-L325 HydrophobicContact CD1-CD1 4.11Å; Y321-L325 HydrophobicContact CE1-CD1 3.52Å; Y321-L325 HydrophobicContact CE1-CG 4.32Å; Y321-L325 HydrophobicContact CE2-CD1 4.47Å; Y321-L325 PolarHBondContact O-N 3.28Å
322P82.3Confident82.8Confident67 Ų6772.8 Ų72.844%0.43540%0.396SS..Hα-helixtrans-66.2-32.9176.726.2-34.1000112.3V318 V319 G324 L325 L326V318-P322 WeakPolarHBondContact O-CD 3.44Å; V318-P322 VanDerWaalsContact O-CG 3.29Å; V318-P322 WeakPolarHBondContact O-CG 3.47Å; V319-P322 WeakPolarHBondContact O-CD 3.33Å; V319-P322 WeakPolarHBondContact O-CG 3.36Å; P322-G324 VanDerWaalsContact C-N 3.34Å; P322-L325 PolarHBondContact O-N 3.33Å; P322-L326 WeakPolarHBondContact O-CB 3.45Å; P322-L326 PolarHBondContact O-N 3.41Å
323L80.4Confident82.2Confident42 Ų4273 Ų7322%0.2241%0.407CS..Hα-helixtrans-62.1-42.9172.3-179.569000111.4Y19 V319 L320 Y321 L326 I327Y19-L323 HydrophobicContact CD1-CD2 3.88Å; Y19-L323 HydrophobicContact CE1-CB 4.03Å; Y19-L323 HydrophobicContact CE1-CD1 4.35Å; Y19-L323 HydrophobicContact CE1-CD2 3.56Å; Y19-L323 HydrophobicContact CE1-CG 4.17Å; Y19-L323 HydrophobicContact CE2-CD1 4.41Å; V319-L323 PolarHBondContact O-N 2.82Å; L320-L323 HydrophobicContact CD2-CD2 4.09Å; L320-L323 PolarHBondContact O-N 3.04Å; Y321-L323 VanDerWaalsContact C-N 3.31Å; Y321-L323 PolarHBondContact O-N 3.4Å; L323-L326 WeakPolarHBondContact O-CB 3.25Å; L323-L326 PolarHBondContact O-N 3.43Å; L323-I327 HydrophobicContact CD1-CD1 4.25Å; L323-I327 HydrophobicContact CD2-CD1 4.43Å; L323-I327 HydrophobicContact CG-CD1 3.93Å; L323-I327 VanDerWaalsContact O-CG1 3.29Å; L323-I327 WeakPolarHBondContact O-CG1 3.22Å; L323-I327 PolarHBondContact O-N 2.88Å
324G80Confident81.1Confident37 Ų3771.6 Ų71.638%0.38141%0.413SS..Hα-helixtrans-63.9-43.1177.800000112.3L320 Y321 P322 I327 A328L320-G324 PolarHBondContact O-N 2.87Å; Y321-G324 PolarHBondContact O-N 2.9Å; P322-G324 VanDerWaalsContact C-N 3.34Å; G324-I327 PolarHBondContact O-N 3.4Å; G324-A328 WeakPolarHBondContact O-CB 3.4Å; G324-A328 PolarHBondContact O-N 2.9Å
325L81.9Confident80.4Confident81 Ų8167.8 Ų67.842%0.42440%0.404SS..Hα-helixtrans-61.6-43.3173.1-69.9179.5000111.8Y321 P322 A328 Q329Y321-L325 HydrophobicContact CD1-CD1 4.11Å; Y321-L325 HydrophobicContact CE1-CD1 3.52Å; Y321-L325 HydrophobicContact CE1-CG 4.32Å; Y321-L325 HydrophobicContact CE2-CD1 4.47Å; Y321-L325 PolarHBondContact O-N 3.28Å; P322-L325 PolarHBondContact O-N 3.33Å; L325-A328 PolarHBondContact O-N 3.01Å; L325-Q329 WeakPolarHBondContact O-CB 3.36Å; L325-Q329 WeakPolarHBondContact O-CG 3.46Å; L325-Q329 PolarHBondContact O-N 3.45Å
326L78.1Confident79.7Confident91 Ų9172.5 Ų72.548%0.47643%0.434SS..Hα-helixtrans-60.2-47.3175.7-178.767.1000110.6P322 L323 A328 Q329 L330P322-L326 WeakPolarHBondContact O-CB 3.45Å; P322-L326 PolarHBondContact O-N 3.41Å; L323-L326 WeakPolarHBondContact O-CB 3.25Å; L323-L326 PolarHBondContact O-N 3.43Å; L326-A328 PolarHBondContact O-N 2.93Å; L326-Q329 PolarHBondContact O-N 3.5Å; L326-L330 HydrophobicContact CD1-CD1 4.48Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.39Å; L326-L330 WeakPolarHBondContact O-CB 3.39Å; L326-L330 WeakPolarHBondContact O-CD1 3.46Å; L326-L330 WeakPolarHBondContact O-CG 3.3Å; L326-L330 PolarHBondContact O-N 3.28Å
327I76.5Confident78.8Confident81 Ų8179.2 Ų79.242%0.41547%0.469SS..Hα-helixtrans-62.5-41.8177.5-67.6167.7000111.6L323 G324 L330 L331L323-I327 HydrophobicContact CD1-CD1 4.25Å; L323-I327 HydrophobicContact CD2-CD1 4.43Å; L323-I327 HydrophobicContact CG-CD1 3.93Å; L323-I327 VanDerWaalsContact O-CG1 3.29Å; L323-I327 WeakPolarHBondContact O-CG1 3.22Å; L323-I327 PolarHBondContact O-N 2.88Å; G324-I327 PolarHBondContact O-N 3.4Å; I327-L330 WeakPolarHBondContact O-CB 3.25Å; I327-L330 PolarHBondContact O-N 3.03Å; I327-L331 HydrophobicContact CG2-CD1 4.18Å; I327-L331 HydrophobicContact CG2-CG 4.5Å; I327-L331 WeakPolarHBondContact O-CG 3.36Å; I327-L331 PolarHBondContact O-N 3.4Å
328A79.1Confident77.8Confident57 Ų5777.2 Ų77.247%0.47145%0.454SS..Hα-helixtrans-63.4-43.8177.100000111.7G324 L325 L326 L330 L331 S332G324-A328 WeakPolarHBondContact O-CB 3.4Å; G324-A328 PolarHBondContact O-N 2.9Å; L325-A328 PolarHBondContact O-N 3.01Å; L326-A328 PolarHBondContact O-N 2.93Å; A328-L330 VanDerWaalsContact C-N 3.34Å; A328-L330 PolarHBondContact O-N 3.22Å; A328-L331 PolarHBondContact O-N 3.02Å; A328-S332 PolarHBondContact O-N 3.33Å; A328-S332 PolarHBondContact O-OG 2.93Å
329Q76.8Confident76.9Confident126 Ų12678.5 Ų78.559%0.58946%0.457SS*.Hα-helixtrans-62.5-41.3173.8-74.4178.6-13.300111.6L325 L326 L331 S332 S333L325-Q329 WeakPolarHBondContact O-CB 3.36Å; L325-Q329 WeakPolarHBondContact O-CG 3.46Å; L325-Q329 PolarHBondContact O-N 3.45Å; L326-Q329 PolarHBondContact O-N 3.5Å; Q329-L331 PolarHBondContact O-N 3.26Å; Q329-S332 WeakPolarHBondContact CA-OG 3.5Å; Q329-S332 PolarHBondContact O-N 2.94Å; Q329-S332 PolarHBondContact O-OG 2.89Å; Q329-S333 WeakPolarHBondContact O-CB 3.37Å; Q329-S333 PolarHBondContact O-N 3.29Å; Q329-S333 PolarHBondContact O-OG 3.49Å
330L73.4Confident76.3Confident26 Ų2680.7 Ų80.714%0.13648%0.476CS..Hα-helixtrans-60.7-43176.9-74.3165.9000112.6L326 I327 A328 S332 S333 G334 T338 A342L326-L330 HydrophobicContact CD1-CD1 4.48Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.39Å; L326-L330 WeakPolarHBondContact O-CB 3.39Å; L326-L330 WeakPolarHBondContact O-CD1 3.46Å; L326-L330 WeakPolarHBondContact O-CG 3.3Å; L326-L330 PolarHBondContact O-N 3.28Å; I327-L330 WeakPolarHBondContact O-CB 3.25Å; I327-L330 PolarHBondContact O-N 3.03Å; A328-L330 VanDerWaalsContact C-N 3.34Å; A328-L330 PolarHBondContact O-N 3.22Å; L330-S332 VanDerWaalsContact C-N 3.32Å; L330-S333 PolarHBondContact O-OG 3.44Å; L330-G334 PolarHBondContact O-N 3.26Å; L330-T338 HydrophobicContact CD2-CG2 4.38Å; L330-T338 WeakPolarHBondContact CD2-OG1 3.47Å; L330-A342 HydrophobicContact CD1-CB 4.17Å
331L72.7Confident75.7Confident144 Ų14480.7 Ų80.775%0.75448%0.484SS*.Hα-helixtrans-67.6-35.3176.2-70.1171.3000111.6I327 A328 Q329I327-L331 HydrophobicContact CG2-CD1 4.18Å; I327-L331 HydrophobicContact CG2-CG 4.5Å; I327-L331 WeakPolarHBondContact O-CG 3.36Å; I327-L331 PolarHBondContact O-N 3.4Å; A328-L331 PolarHBondContact O-N 3.02Å; Q329-L331 PolarHBondContact O-N 3.26Å
332S77Confident75Confident99 Ų9974.7 Ų74.769%0.69247%0.468SS*.Hα-helixtrans-75.6-29.9179.173.30000113.9A328 Q329 L330A328-S332 PolarHBondContact O-N 3.33Å; A328-S332 PolarHBondContact O-OG 2.93Å; Q329-S332 WeakPolarHBondContact CA-OG 3.5Å; Q329-S332 PolarHBondContact O-N 2.94Å; Q329-S332 PolarHBondContact O-OG 2.89Å; L330-S332 VanDerWaalsContact C-N 3.32Å
333S74.4Confident74.7Confident68 Ų6875.6 Ų75.648%0.47647%0.472SS..Hα-helixtrans-85.8-19.9-174.8680000113.7Q329 L330 A335Q329-S333 WeakPolarHBondContact O-CB 3.37Å; Q329-S333 PolarHBondContact O-N 3.29Å; Q329-S333 PolarHBondContact O-OG 3.49Å; L330-S333 PolarHBondContact O-OG 3.44Å; S333-A335 PolarHBondContact O-N 2.83Å
334G66.4Low74.7Confident56 Ų5678.2 Ų78.258%0.57749%0.49SS*.  trans61.310.1175.200000115.2L330 V336L330-G334 PolarHBondContact O-N 3.26Å; G334-V336 PolarHBondContact O-N 2.81Å
335A76Confident74.4Confident38 Ų3880.1 Ų80.131%0.31449%0.494SS..  trans-79.5118.9-173.400000111.1S333 L337 T338 I339S333-A335 PolarHBondContact O-N 2.83Å; A335-L337 PolarHBondContact O-N 2.84Å; A335-T338 HydrophobicContact CB-CG2 4.13Å; A335-T338 PolarHBondContact O-N 3.32Å; A335-T338 VanDerWaalsContact O-N 3.08Å; A335-T338 PolarHBondContact O-OG1 3.47Å; A335-I339 PolarHBondContact O-N 2.98Å
336V75.5Confident74.1Confident120 Ų12079.1 Ų79.173%0.72749%0.493SS*.Hα-helixtrans-56.7-36179.1179.30000111.6G334 T338 I339 A340G334-V336 PolarHBondContact O-N 2.81Å; V336-T338 VanDerWaalsContact C-N 3.29Å; V336-T338 PolarHBondContact O-N 3.39Å; V336-I339 PolarHBondContact O-N 2.88Å; V336-A340 WeakPolarHBondContact O-CB 3.46Å; V336-A340 PolarHBondContact O-N 3.49Å
337L68.7Low74Confident153 Ų15377.4 Ų77.480%0.80149%0.489SS*.Hα-helixtrans-61.7-36.7179.5-154.587.3000112.4A335 A341A335-L337 PolarHBondContact O-N 2.84Å; L337-A341 PolarHBondContact O-N 2.94Å; L337-A341 VanDerWaalsContact O-N 3.09Å
338T66.4Low74.1Confident47 Ų4776.3 Ų76.329%0.28849%0.492SS..Hα-helixtrans-84.1-30-17661.10000111.8L330 A335 V336 A341 A342L330-T338 HydrophobicContact CD2-CG2 4.38Å; L330-T338 WeakPolarHBondContact CD2-OG1 3.47Å; A335-T338 HydrophobicContact CB-CG2 4.13Å; A335-T338 PolarHBondContact O-N 3.32Å; A335-T338 VanDerWaalsContact O-N 3.08Å; A335-T338 PolarHBondContact O-OG1 3.47Å; V336-T338 VanDerWaalsContact C-N 3.29Å; V336-T338 PolarHBondContact O-N 3.39Å; T338-A341 PolarHBondContact O-N 3.47Å; T338-A342 PolarHBondContact O-N 3.18Å
339I70.7Confident74Confident92 Ų9274.5 Ų74.547%0.47248%0.475SS..Hα-helixtrans-64.2-43.8168.1-63.4171.5000110.2A335 V336 A341 A342 V343A335-I339 PolarHBondContact O-N 2.98Å; V336-I339 PolarHBondContact O-N 2.88Å; I339-A341 VanDerWaalsContact C-N 3.33Å; I339-A341 PolarHBondContact O-N 3.08Å; I339-A342 PolarHBondContact O-N 3.45Å; I339-V343 WeakPolarHBondContact O-CG2 3.31Å; I339-V343 PolarHBondContact O-N 3.41Å
340A74.6Confident74Confident51 Ų5169.5 Ų69.542%0.42145%0.454SS..Hα-helixtrans-59.4-43.9174.700000111.6V336 A342 V343 V344V336-A340 WeakPolarHBondContact O-CB 3.46Å; V336-A340 PolarHBondContact O-N 3.49Å; A340-A342 PolarHBondContact O-N 2.89Å; A340-V343 PolarHBondContact O-N 3.39Å; A340-V344 VanDerWaalsContact O-CG2 3.3Å; A340-V344 WeakPolarHBondContact O-CG2 3.24Å; A340-V344 PolarHBondContact O-N 3.03Å
341A72Confident74.2Confident54 Ų5474.8 Ų74.845%0.44648%0.48SS..Hα-helixtrans-60.6-42.6175.300000112.7L337 T338 I339 V344 V345L337-A341 PolarHBondContact O-N 2.94Å; L337-A341 VanDerWaalsContact O-N 3.09Å; T338-A341 PolarHBondContact O-N 3.47Å; I339-A341 VanDerWaalsContact C-N 3.33Å; I339-A341 PolarHBondContact O-N 3.08Å; A341-V344 PolarHBondContact O-N 3.39Å; A341-V345 WeakPolarHBondContact O-CG2 3.35Å; A341-V345 PolarHBondContact O-N 3.38Å
342A71.7Confident74.3Confident38 Ų3869.2 Ų69.231%0.31446%0.457SS..Hα-helixtrans-63.1-42.3176.800000112.3L330 T338 I339 A340 V344 V345 C346L330-A342 HydrophobicContact CD1-CB 4.17Å; T338-A342 PolarHBondContact O-N 3.18Å; I339-A342 PolarHBondContact O-N 3.45Å; A340-A342 PolarHBondContact O-N 2.89Å; A342-V344 VanDerWaalsContact C-N 3.33Å; A342-V344 PolarHBondContact O-N 3.1Å; A342-V345 PolarHBondContact O-N 3.29Å; A342-C346 WeakPolarHBondContact O-CB 3.43Å; A342-C346 PolarHBondContact O-N 3.33Å; A342-C346 PolarHBondContact O-SG 3.36Å; A342-C346 VanDerWaalsContact O-SG 3.41Å
343V77.3Confident74.2Confident86 Ų8665.8 Ų65.852%0.52143%0.43SS..Hα-helixtrans-63-40.7175.2172.90000111.1I339 A340 C346 S347I339-V343 WeakPolarHBondContact O-CG2 3.31Å; I339-V343 PolarHBondContact O-N 3.41Å; A340-V343 PolarHBondContact O-N 3.39Å; V343-C346 PolarHBondContact O-N 3.02Å; V343-S347 VanDerWaalsContact O-CB 3.24Å; V343-S347 WeakPolarHBondContact O-CB 3.38Å; V343-S347 PolarHBondContact O-N 2.91Å; V343-S347 PolarHBondContact O-OG 2.84Å
344V78.6Confident74.3Confident98 Ų9870.6 Ų70.659%0.59444%0.438SS*.Hα-helixtrans-62.1-45.2175.5169.70000111A340 A341 A342 S347 A348A340-V344 VanDerWaalsContact O-CG2 3.3Å; A340-V344 WeakPolarHBondContact O-CG2 3.24Å; A340-V344 PolarHBondContact O-N 3.03Å; A341-V344 PolarHBondContact O-N 3.39Å; A342-V344 VanDerWaalsContact C-N 3.33Å; A342-V344 PolarHBondContact O-N 3.1Å; V344-S347 PolarHBondContact O-N 3.33Å; V344-A348 VanDerWaalsContact O-CB 3.28Å; V344-A348 WeakPolarHBondContact O-CB 3.47Å; V344-A348 PolarHBondContact O-N 3.33Å
345V75.4Confident74.9Confident77 Ų7773.6 Ų73.647%0.46743%0.432SS..Hα-helixtrans-63.2-47.9177.9172.40000111.3A341 A342 S347 A348 V349A341-V345 WeakPolarHBondContact O-CG2 3.35Å; A341-V345 PolarHBondContact O-N 3.38Å; A342-V345 PolarHBondContact O-N 3.29Å; V345-S347 VanDerWaalsContact C-N 3.3Å; V345-S347 PolarHBondContact O-N 2.77Å; V345-A348 PolarHBondContact O-N 3.31Å; V345-V349 HydrophobicContact CG1-CG2 4.42Å; V345-V349 WeakPolarHBondContact O-CB 3.34Å; V345-V349 VanDerWaalsContact O-CG2 3.3Å; V345-V349 WeakPolarHBondContact O-CG2 3.48Å; V345-V349 PolarHBondContact O-N 3.48Å
346C75.4Confident74.7Confident59 Ų5972.7 Ų72.740%0.39942%0.421SS..Hα-helixtrans-60.6-40.3176.8-72.70000112L15 A342 V343 S350L15-C346 HydrophobicContact CD2-CB 4.26Å; A342-C346 WeakPolarHBondContact O-CB 3.43Å; A342-C346 PolarHBondContact O-N 3.33Å; A342-C346 PolarHBondContact O-SG 3.36Å; A342-C346 VanDerWaalsContact O-SG 3.41Å; V343-C346 PolarHBondContact O-N 3.02Å; C346-S350 VanDerWaalsContact O-CB 3.32Å; C346-S350 WeakPolarHBondContact O-CB 3.44Å; C346-S350 PolarHBondContact O-N 3.41Å
347S76.5Confident74.6Confident56 Ų5667.4 Ų67.439%0.39239%0.389SS..Hα-helixtrans-66.2-44.5176.5-59.20000111.3V343 V344 V345 S350 M351V343-S347 VanDerWaalsContact O-CB 3.24Å; V343-S347 WeakPolarHBondContact O-CB 3.38Å; V343-S347 PolarHBondContact O-N 2.91Å; V343-S347 PolarHBondContact O-OG 2.84Å; V344-S347 PolarHBondContact O-N 3.33Å; V345-S347 VanDerWaalsContact C-N 3.3Å; V345-S347 PolarHBondContact O-N 2.77Å; S347-S350 PolarHBondContact O-N 2.88Å; S347-M351 WeakPolarHBondContact O-CB 3.42Å; S347-M351 VanDerWaalsContact O-CG 3.25Å; S347-M351 WeakPolarHBondContact O-CG 3.07Å; S347-M351 PolarHBondContact O-N 3.47Å
348A78.4Confident74.3Confident57 Ų5760.2 Ų60.247%0.47135%0.351SS..Hα-helixtrans-62.6-43.4177.300000112.1V344 V345 M351 G352V344-A348 VanDerWaalsContact O-CB 3.28Å; V344-A348 WeakPolarHBondContact O-CB 3.47Å; V344-A348 PolarHBondContact O-N 3.33Å; V345-A348 PolarHBondContact O-N 3.31Å; A348-M351 PolarHBondContact O-N 3.09Å; A348-G352 PolarHBondContact O-N 3.18Å
349V76.2Confident74.4Confident20 Ų2060.9 Ų60.912%0.12135%0.351CS..Hα-helixtrans-61-47.1174.9165.70000110.9L15 C18 Y19 L22 V345 G352 M353L15-V349 HydrophobicContact CD1-CB 4.49Å; L15-V349 HydrophobicContact CD1-CG1 3.96Å; C18-V349 HydrophobicContact CB-CG1 4.4Å; Y19-V349 HydrophobicContact CD2-CG2 4.33Å; L22-V349 HydrophobicContact CD1-CG1 4.14Å; V345-V349 HydrophobicContact CG1-CG2 4.42Å; V345-V349 WeakPolarHBondContact O-CB 3.34Å; V345-V349 VanDerWaalsContact O-CG2 3.3Å; V345-V349 WeakPolarHBondContact O-CG2 3.48Å; V345-V349 PolarHBondContact O-N 3.48Å; V349-G352 PolarHBondContact O-N 3.31Å; V349-M353 WeakPolarHBondContact O-CB 3.31Å; V349-M353 PolarHBondContact O-N 3.27Å
350S76.2Confident74.1Confident21 Ų2157.9 Ų57.915%0.14734%0.337CS..Hα-helixtrans-62.2-46.2177.7-179.20000112C346 S347 M353 R354C346-S350 VanDerWaalsContact O-CB 3.32Å; C346-S350 WeakPolarHBondContact O-CB 3.44Å; C346-S350 PolarHBondContact O-N 3.41Å; S347-S350 PolarHBondContact O-N 2.88Å; S350-M353 PolarHBondContact O-N 2.96Å; S350-R354 WeakPolarHBondContact O-CG 3.29Å; S350-R354 PolarHBondContact O-N 3.23Å
351M78.7Confident73.6Confident137 Ų13758.6 Ų58.668%0.67533%0.332SS*.Hα-helixtrans-64-45.4177.5-73.517964.600111.9S347 A348 M353 R354 W355S347-M351 WeakPolarHBondContact O-CB 3.42Å; S347-M351 VanDerWaalsContact O-CG 3.25Å; S347-M351 WeakPolarHBondContact O-CG 3.07Å; S347-M351 PolarHBondContact O-N 3.47Å; A348-M351 PolarHBondContact O-N 3.09Å; M351-M353 VanDerWaalsContact C-N 3.35Å; M351-M353 PolarHBondContact O-N 2.95Å; M351-R354 PolarHBondContact O-N 3.02Å; M351-W355 WeakPolarHBondContact O-CB 3.5Å; M351-W355 PolarHBondContact O-N 2.72Å
352G75Confident72.9Confident27 Ų2757.7 Ų57.728%0.27832%0.319SS..Hα-helixtrans-59.1-45.2177.200000111.9A348 V349 W355 M356A348-G352 PolarHBondContact O-N 3.18Å; V349-G352 PolarHBondContact O-N 3.31Å; G352-W355 PolarHBondContact O-N 2.95Å; G352-M356 WeakPolarHBondContact O-CG 3.24Å; G352-M356 PolarHBondContact O-N 3.48Å
353M74.7Confident72Confident26 Ų2663.3 Ų63.313%0.12834%0.344CS..Hα-helixtrans-64.9-46.5177-172.568.4177.400112.2C18 L245 V349 S350 M351 W355 M356 I357C18-M353 HydrophobicContact CB-CB 4.32Å; C18-M353 HydrophobicContact CB-CG 4.19Å; C18-M353 HydrophobicContact CB-SD 4.39Å; C18-M353 WeakPolarHBondContact SG-CG 3.42Å; L245-M353 HydrophobicContact CD1-CE 4.09Å; V349-M353 WeakPolarHBondContact O-CB 3.31Å; V349-M353 PolarHBondContact O-N 3.27Å; S350-M353 PolarHBondContact O-N 2.96Å; M351-M353 VanDerWaalsContact C-N 3.35Å; M351-M353 PolarHBondContact O-N 2.95Å; M353-W355 PolarHBondContact O-N 3.46Å; M353-M356 PolarHBondContact O-N 3.33Å; M353-M356 VanDerWaalsContact O-N 3.12Å; M353-I357 HydrophobicContact CE-CD1 3.96Å; M353-I357 HydrophobicContact CE-CG1 3.96Å; M353-I357 HydrophobicContact CG-CD1 3.83Å; M353-I357 HydrophobicContact CG-CG1 4.24Å; M353-I357 VanDerWaalsContact O-CG1 3.3Å; M353-I357 WeakPolarHBondContact O-CG1 3.3Å; M353-I357 PolarHBondContact O-N 2.91Å
354R76.8Confident70.9Confident169 Ų16964.6 Ų64.664%0.63834%0.342SS*.Hα-helixtrans-58.9-38.8176.7-73.3-179.5-171.9-157.61.7111.5S350 M351 G358S350-R354 WeakPolarHBondContact O-CG 3.29Å; S350-R354 PolarHBondContact O-N 3.23Å; M351-R354 PolarHBondContact O-N 3.02Å; R354-G358 PolarHBondContact O-N 3.45Å
355W79.2Confident69.6Low119 Ų11960.5 Ų60.545%0.45132%0.318SS..Hα-helixtrans-65-44.8174.7178.988.3000112V129 M351 G352 M353 G358 Q359V129-W355 HydrophobicContact CG1-CZ3 4.33Å; V129-W355 HydrophobicContact CG2-CH2 4.17Å; V129-W355 HydrophobicContact CG2-CZ3 4.27Å; M351-W355 WeakPolarHBondContact O-CB 3.5Å; M351-W355 PolarHBondContact O-N 2.72Å; G352-W355 PolarHBondContact O-N 2.95Å; M353-W355 PolarHBondContact O-N 3.46Å; W355-G358 WeakPolarHBondContact O-CA 3.32Å; W355-G358 PolarHBondContact O-N 2.74Å; W355-Q359 HydrophobicContact CD2-CG 4.45Å; W355-Q359 HydrophobicContact CE3-CG 4.47Å; W355-Q359 HydrophobicContact CH2-CG 4.26Å; W355-Q359 HydrophobicContact CZ2-CG 4.25Å; W355-Q359 HydrophobicContact CZ3-CG 4.36Å; W355-Q359 WeakPolarHBondContact O-CG 3.38Å; W355-Q359 PolarHBondContact O-N 3.45Å
356M71.8Confident68.3Low20 Ų2058.2 Ų58.210%0.09931%0.306CS..Hα-helixtrans-62.4-46.1176.7-72.5179.267.200112.2F21 L22 V129 I132 G352 M353 G358 Q359 T360F21-M356 HydrophobicContact CE1-CE 4.07Å; L22-M356 HydrophobicContact CD2-SD 3.69Å; V129-M356 HydrophobicContact CG1-CE 3.87Å; V129-M356 HydrophobicContact CG1-CG 4.08Å; I132-M356 HydrophobicContact CG1-CE 4.48Å; G352-M356 WeakPolarHBondContact O-CG 3.24Å; G352-M356 PolarHBondContact O-N 3.48Å; M353-M356 PolarHBondContact O-N 3.33Å; M353-M356 VanDerWaalsContact O-N 3.12Å; M356-G358 VanDerWaalsContact C-N 3.26Å; M356-G358 PolarHBondContact O-N 2.88Å; M356-Q359 WeakPolarHBondContact O-CB 3.28Å; M356-Q359 PolarHBondContact O-N 3.49Å; M356-Q359 VanDerWaalsContact O-N 3.07Å; M356-T360 PolarHBondContact O-N 3.38Å
357I72.6Confident67.2Low9 Ų960 Ų605%0.04631%0.311CS..Hα-helixtrans-57.5-44.7172.9-66.9170.3000109.5L241 L242 L245 M353 Q359 T360 E361L241-I357 HydrophobicContact CD2-CG1 4.07Å; L242-I357 HydrophobicContact CD1-CG2 4.37Å; L242-I357 HydrophobicContact CD2-CD1 3.77Å; L242-I357 HydrophobicContact CD2-CG2 4.47Å; L242-I357 HydrophobicContact CG-CD1 4.39Å; L242-I357 HydrophobicContact CG-CG2 4.04Å; L245-I357 HydrophobicContact CD1-CD1 3.9Å; M353-I357 HydrophobicContact CE-CD1 3.96Å; M353-I357 HydrophobicContact CE-CG1 3.96Å; M353-I357 HydrophobicContact CG-CD1 3.83Å; M353-I357 HydrophobicContact CG-CG1 4.24Å; M353-I357 VanDerWaalsContact O-CG1 3.3Å; M353-I357 WeakPolarHBondContact O-CG1 3.3Å; M353-I357 PolarHBondContact O-N 2.91Å; I357-Q359 PolarHBondContact O-N 2.97Å; I357-T360 CarbonylContact O-C 3.54Å; I357-T360 WeakPolarHBondContact O-CA 3.41Å; I357-T360 WeakPolarHBondContact O-CB 3.41Å; I357-T360 PolarHBondContact O-N 3.5Å; I357-T360 PolarHBondContact O-OG1 2.91Å; I357-E361 PolarHBondContact O-N 3.26Å
358G63.3Low65.6Low1 Ų161.1 Ų61.11%0.0131%0.307CS..Hα-helixtrans-58-31.7176.100000113.8R354 W355 M356 T360 E361 K364R354-G358 PolarHBondContact O-N 3.45Å; W355-G358 WeakPolarHBondContact O-CA 3.32Å; W355-G358 PolarHBondContact O-N 2.74Å; M356-G358 VanDerWaalsContact C-N 3.26Å; M356-G358 PolarHBondContact O-N 2.88Å; G358-T360 PolarHBondContact O-N 3.26Å; G358-E361 PolarHBondContact O-N 3.49Å; G358-K364 VanDerWaalsContact O-CD 3.25Å; G358-K364 WeakPolarHBondContact O-CD 3.41Å
359Q68.2Low64Low61 Ų6159.9 Ų59.929%0.28530%0.301SS..Hα-helixtrans-69.1-21.7173.5-61.2-54.9-40.500112.7V129 W355 M356 I357V129-Q359 HydrophobicContact CG2-CG 4.26Å; W355-Q359 HydrophobicContact CD2-CG 4.45Å; W355-Q359 HydrophobicContact CE3-CG 4.47Å; W355-Q359 HydrophobicContact CH2-CG 4.26Å; W355-Q359 HydrophobicContact CZ2-CG 4.25Å; W355-Q359 HydrophobicContact CZ3-CG 4.36Å; W355-Q359 WeakPolarHBondContact O-CG 3.38Å; W355-Q359 PolarHBondContact O-N 3.45Å; M356-Q359 WeakPolarHBondContact O-CB 3.28Å; M356-Q359 PolarHBondContact O-N 3.49Å; M356-Q359 VanDerWaalsContact O-N 3.07Å; I357-Q359 PolarHBondContact O-N 2.97Å
360T63.7Low62.7Low29 Ų2961.9 Ų61.918%0.17831%0.31CS..THydrogen-bonded Turntrans-91.5-3.9176.367.40000113.5R180 M356 I357 G358R180-T360 PolarHBondContact NH1-O 3.2Å; R180-T360 PolarHBondContact NH2-O 2.74Å; M356-T360 PolarHBondContact O-N 3.38Å; I357-T360 CarbonylContact O-C 3.54Å; I357-T360 WeakPolarHBondContact O-CA 3.41Å; I357-T360 WeakPolarHBondContact O-CB 3.41Å; I357-T360 PolarHBondContact O-N 3.5Å; I357-T360 PolarHBondContact O-OG1 2.91Å; G358-T360 PolarHBondContact O-N 3.26Å
361E65Low61Low67 Ų6768 Ų6831%0.31333%0.334SS..  trans-73143.5-179-75.3171.1177.300113.3E99 I357 G358 D363 K364 S365E99-E361 VanDerWaalsContact OE1-CA 3.22Å; E99-E361 WeakPolarHBondContact OE1-CA 3.38Å; I357-E361 PolarHBondContact O-N 3.26Å; G358-E361 PolarHBondContact O-N 3.49Å; E361-D363 VanDerWaalsContact C-N 3.28Å; E361-D363 PolarHBondContact O-N 3.4Å; E361-K364 PolarHBondContact O-N 2.94Å; E361-S365 PolarHBondContact O-N 3.4Å
362I56.4Low59.2Low34 Ų3464.7 Ų64.717%0.17433%0.329CS..G310 helixtrans-61.3-35179.7-63.1172.2000112.3E99 T182 K364 S365E99-I362 HydrophobicContact CG-CD1 4.08Å; E99-I362 HydrophobicContact CG-CG1 3.72Å; E99-I362 PolarHBondContact OE1-N 3.05Å; T182-I362 HydrophobicContact CG2-CG2 3.61Å; I362-K364 VanDerWaalsContact C-N 3.29Å; I362-K364 PolarHBondContact O-N 3.31Å; I362-S365 WeakPolarHBondContact O-CA 3.33Å; I362-S365 WeakPolarHBondContact O-CB 3.41Å; I362-S365 PolarHBondContact O-N 3.09Å; I362-S365 PolarHBondContact O-OG 3Å
363D52.1Low57.5Low157 Ų15766.5 Ų66.584%0.8433%0.334SS*.G310 helixtrans-70.9-24.4-178.1-68-30.5000113.1E361 S365E361-D363 VanDerWaalsContact C-N 3.28Å; E361-D363 PolarHBondContact O-N 3.4Å; D363-S365 VanDerWaalsContact C-N 3.27Å
364K54.3Low55.7Low112 Ų11268.1 Ų68.149%0.48735%0.352SS..G310 helixtrans-88.15.2168.4-57.7-162.6-162.2158.70112.4G358 E361 I362 S366G358-K364 VanDerWaalsContact O-CD 3.25Å; G358-K364 WeakPolarHBondContact O-CD 3.41Å; E361-K364 PolarHBondContact O-N 2.94Å; I362-K364 VanDerWaalsContact C-N 3.29Å; I362-K364 PolarHBondContact O-N 3.31Å; K364-S366 PolarHBondContact O-N 2.87Å; K364-S366 VanDerWaalsContact O-N 3.08Å
365S51.8Low53.7Low12 Ų1266.9 Ų66.98%0.08436%0.357CS..SBendtrans-69.7109.8172.989.70000110K185 E361 I362 D363K185-S365 PolarHBondContact NZ-O 3.38Å; K185-S365 PolarHBondContact NZ-OG 3.44Å; E361-S365 PolarHBondContact O-N 3.4Å; I362-S365 WeakPolarHBondContact O-CA 3.33Å; I362-S365 WeakPolarHBondContact O-CB 3.41Å; I362-S365 PolarHBondContact O-N 3.09Å; I362-S365 PolarHBondContact O-OG 3Å; D363-S365 VanDerWaalsContact C-N 3.27Å
366S48.3Very low51.6Low29 Ų2967.5 Ų67.520%0.20337%0.369CS..  trans-24.5137177.3-175.60000117.7R146 K185 K364 Y368R146-S366 PolarHBondContact NH1-OG 2.64Å; R146-S366 VanDerWaalsContact NH2-CB 3.25Å; K185-S366 PolarHBondContact NZ-O 2.92Å; K364-S366 PolarHBondContact O-N 2.87Å; K364-S366 VanDerWaalsContact O-N 3.08Å; S366-Y368 PolarHBondContact O-N 3.42Å; S366-Y368 VanDerWaalsContact OG-CB 3.24Å; S366-Y368 WeakPolarHBondContact OG-CB 3.49Å; S366-Y368 PolarHBondContact OG-N 3.25Å; S366-Y368 VanDerWaalsContact OG-N 3.09Å
367N51.2Low49.8Very low97 Ų9772.9 Ų72.952%0.51940%0.399SS..  trans-69.212.9168.7-64.2-18.4000113.9G369 I370 K371N367-G369 PolarHBondContact O-N 3.36Å; N367-I370 WeakPolarHBondContact O-CB 3.3Å; N367-I370 PolarHBondContact O-N 3.08Å; N367-K371 PolarHBondContact O-N 3.32Å
368Y43.4Very low47.8Very low79 Ų7982.8 Ų82.831%0.3145%0.452SS..THydrogen-bonded Turntrans-66.6121.5-179.9-167-108.6000111R146 S366R146-Y368 HydrophobicContact CB-CD1 4.29Å; R146-Y368 HydrophobicContact CB-CD2 3.85Å; R146-Y368 HydrophobicContact CB-CE1 3.9Å; R146-Y368 HydrophobicContact CB-CE2 3.47Å; R146-Y368 VanDerWaalsContact CB-CE2 3.47Å; R146-Y368 HydrophobicContact CB-CG 4.25Å; R146-Y368 VanDerWaalsContact CD-CG 3.45Å; R146-Y368 HydrophobicContact CG-CD1 4.44Å; R146-Y368 HydrophobicContact CG-CE1 4.37Å; R146-Y368 HydrophobicContact CG-CG 4.5Å; R146-Y368 WeakPolarHBondContact O-CE2 3.33Å; R146-Y368 PolarHBondContact O-OH 2.86Å; S366-Y368 PolarHBondContact O-N 3.42Å; S366-Y368 VanDerWaalsContact OG-CB 3.24Å; S366-Y368 WeakPolarHBondContact OG-CB 3.49Å; S366-Y368 PolarHBondContact OG-N 3.25Å; S366-Y368 VanDerWaalsContact OG-N 3.09Å
369G44.9Very low47Very low32 Ų3286.9 Ų86.933%0.3347%0.474SS..THydrogen-bonded Turntrans107.3-28.3-166.500000113.5N367N367-G369 PolarHBondContact O-N 3.36Å
370I48.5Very low45.9Very low62 Ų6288.3 Ų88.332%0.31848%0.484SS..THydrogen-bonded Turntrans-85.3-39.3174.5-58.1173.3000110.3K185 F188 N367K185-I370 HydrophobicContact CG-CD1 4.45Å; F188-I370 HydrophobicContact CD2-CG1 4.31Å; F188-I370 HydrophobicContact CE2-CG1 4.39Å; N367-I370 WeakPolarHBondContact O-CB 3.3Å; N367-I370 PolarHBondContact O-N 3.08Å
371K40.6Very low44.9Very low149 Ų14991.6 Ų91.665%0.64850%0.501SS*.Hα-helixtrans-74.7-24.1-179.6-75.3-169.4174.1-172.60115.1N367 T373 A374N367-K371 PolarHBondContact O-N 3.32Å; K371-T373 VanDerWaalsContact C-N 3.27Å; K371-T373 PolarHBondContact O-N 3Å; K371-A374 PolarHBondContact O-N 3.41Å
372A41Very low43.7Very low68 Ų6893 Ų9356%0.56251%0.512SS*.Hα-helixtrans-69.4-26-174.700000112.8
373T40.3Very low43Very low64 Ų6496.7 Ų96.739%0.39353%0.533SS..Hα-helixtrans-96.2-23176.48.10000113.3K371 L375 N376 N377K371-T373 VanDerWaalsContact C-N 3.27Å; K371-T373 PolarHBondContact O-N 3Å; T373-L375 PolarHBondContact O-N 3.45Å; T373-N376 PolarHBondContact O-N 3.19Å; T373-N377 PolarHBondContact O-N 2.97Å
374A35.5Very low42.3Very low61 Ų6192.7 Ų92.750%0.50451%0.512SS..Hα-helixtrans-62.7-24172.400000112.6K371K371-A374 PolarHBondContact O-N 3.41Å
375L35.8Very low41.5Very low143 Ų14391.3 Ų91.375%0.74951%0.514SS*.THydrogen-bonded Turntrans-84.1-11.1172.7-83.3153.8000114T373T373-L375 PolarHBondContact O-N 3.45Å
376N35.8Very low40.7Very low132 Ų13297.4 Ų97.471%0.70655%0.547SS*.THydrogen-bonded Turntrans-102.6-3177-76.53.9000112.9T373T373-N376 PolarHBondContact O-N 3.19Å
377N33.4Very low40.1Very low133 Ų133103.1 Ų103.171%0.71158%0.576SS**  trans-109.814179.9-79.48.1000113.2T373T373-N377 PolarHBondContact O-N 2.97Å
378N30.3Very low39.1Very low217 Ų217103.6 Ų103.6100%1.1658%0.581SS**  trans-118.30171.2-85.55.5000110.7

Retrieved 378 of 378 residues in 1200.7 ms (Link to these results)

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