A0A087WSU4_MOUSE Loading...

Ngfi-A binding protein 1

AlphaFold DB , UniProt , Accession A0A087WSU4, Species MOUSE (Mus musculus, Mouse), Gene Nab1, Length 485 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
1M40.7Very low72.7Confident243 Ų24398.7 Ų98.7100%1.19754%0.54SS*.  0131.60-66.9174.6176.900106.8
2A40.3Very low74.2Confident101 Ų10196.4 Ų96.484%0.83553%0.526SS*.PPolyproline II helixtrans-82.2118.817600000108.1
3T55.5Low75.5Confident64 Ų6493.8 Ų93.839%0.39351%0.508SS..PPolyproline II helixtrans-62.7136.4171.948.30000109.1L5T3-L5 PolarHBondContact O-N 3.24Å
4A66.8Low76.8Confident43 Ų4387.1 Ų87.136%0.35547%0.472SS..PPolyproline II helixtrans-57.6138.8173.200000110.2F27 D28A4-F27 HydrophobicContact CB-CE1 4.19Å; A4-F27 VanDerWaalsContact O-CE1 3.28Å; A4-F27 WeakPolarHBondContact O-CE1 3.43Å; A4-D28 WeakPolarHBondContact CB-OD1 3.36Å; A4-D28 PolarHBondContact N-OD1 2.81Å
5L75.1Confident77.9Confident146 Ų14684.1 Ų84.176%0.76445%0.451SS*.PPolyproline II helixtrans-76.2134.9170.6-78.5116.7000109.1T3 R7T3-L5 PolarHBondContact O-N 3.24Å; L5-R7 WeakPolarHBondContact O-CG 3.48Å; L5-R7 PolarHBondContact O-N 3.24Å
6P83.1Confident78.7Confident41 Ų4183.1 Ų83.127%0.26644%0.439SS..PPolyproline II helixtrans-63.2132.917925.9-34.1000111.2E11 L12 Y15 F27P6-E11 WeakPolarHBondContact CA-OE2 3.44Å; P6-E11 HydrophobicContact CB-CB 3.8Å; P6-L12 HydrophobicContact CB-CB 4.1Å; P6-L12 HydrophobicContact CB-CD1 4.43Å; P6-L12 HydrophobicContact CG-CB 4.39Å; P6-L12 HydrophobicContact CG-CD1 3.8Å; P6-Y15 HydrophobicContact CG-CG 4.4Å; P6-F27 HydrophobicContact CB-CZ 4.28Å
7R83.5Confident79.6Confident223 Ų22378.2 Ų78.284%0.84241%0.413SS*.  trans-107.7-30.9-175.4-57.6-178.6177.1-173.2-1.2112.8L5 E11L5-R7 WeakPolarHBondContact O-CG 3.48Å; L5-R7 PolarHBondContact O-N 3.24Å; R7-E11 PolarHBondContact N-OE2 2.88Å
8T87.9Confident80.4Confident62 Ų6273.9 Ų73.938%0.3839%0.39SS..SBendtrans-106.5167.4177.177.10000111.5G10 E11 L12 D36T8-G10 PolarHBondContact OG1-N 3Å; T8-E11 HydrophobicContact CG2-CG 4.48Å; T8-E11 WeakPolarHBondContact OG1-CB 3.15Å; T8-E11 VanDerWaalsContact OG1-CG 3.3Å; T8-E11 WeakPolarHBondContact OG1-CG 3.31Å; T8-E11 PolarHBondContact OG1-N 3.27Å; T8-L12 PolarHBondContact O-N 3.48Å; T8-L12 VanDerWaalsContact O-N 3.08Å; T8-D36 PolarHBondContact OG1-OD2 3.29Å
9L85.9Confident81Confident123 Ų12372.2 Ų72.264%0.64438%0.38SS*.Hα-helixtrans-65-39.5173.6-177.663000111.7L12 Q13L9-L12 PolarHBondContact O-N 2.97Å; L9-Q13 WeakPolarHBondContact O-CG 3.29Å; L9-Q13 PolarHBondContact O-N 3.23Å
10G88.6Confident81.4Confident14 Ų1472.6 Ų72.614%0.14438%0.378CS..Hα-helixtrans-63.2-49.1175.700000111.8T8 L12 Q13 L14 D36T8-G10 PolarHBondContact OG1-N 3Å; G10-L12 VanDerWaalsContact C-N 3.25Å; G10-L12 PolarHBondContact O-N 3.01Å; G10-Q13 PolarHBondContact O-N 2.83Å; G10-Q13 VanDerWaalsContact O-N 3.09Å; G10-L14 WeakPolarHBondContact O-CB 3.37Å; G10-L14 PolarHBondContact O-N 2.85Å; G10-D36 CarbonylContact C-O 3.59Å; G10-D36 WeakPolarHBondContact CA-O 3.36Å
11E92.3Very high82Confident26 Ų2669.6 Ų69.612%0.12136%0.364CS..Hα-helixtrans-53.7-43173.7-75.6179.6-142.600111.4P6 R7 T8 Y15 F27 I31 D36P6-E11 WeakPolarHBondContact CA-OE2 3.44Å; P6-E11 HydrophobicContact CB-CB 3.8Å; R7-E11 PolarHBondContact N-OE2 2.88Å; T8-E11 HydrophobicContact CG2-CG 4.48Å; T8-E11 WeakPolarHBondContact OG1-CB 3.15Å; T8-E11 VanDerWaalsContact OG1-CG 3.3Å; T8-E11 WeakPolarHBondContact OG1-CG 3.31Å; T8-E11 PolarHBondContact OG1-N 3.27Å; E11-Y15 WeakPolarHBondContact O-CB 3.4Å; E11-Y15 PolarHBondContact O-N 3.3Å; E11-F27 HydrophobicContact CB-CZ 4.35Å; E11-F27 WeakPolarHBondContact O-CE2 3.43Å; E11-I31 HydrophobicContact CB-CD1 4.42Å; E11-I31 HydrophobicContact CG-CD1 3.75Å; E11-I31 HydrophobicContact CG-CG1 4.32Å; E11-D36 HydrophobicContact CG-CB 3.93Å
12L90.4Very high84.5Confident71 Ų7163.8 Ų63.837%0.37234%0.338SS..Hα-helixtrans-67.2-41.9178.2-178.862.9000112.5P6 T8 L9 G10 Y15 R16P6-L12 HydrophobicContact CB-CB 4.1Å; P6-L12 HydrophobicContact CB-CD1 4.43Å; P6-L12 HydrophobicContact CG-CB 4.39Å; P6-L12 HydrophobicContact CG-CD1 3.8Å; T8-L12 PolarHBondContact O-N 3.48Å; T8-L12 VanDerWaalsContact O-N 3.08Å; L9-L12 PolarHBondContact O-N 2.97Å; G10-L12 VanDerWaalsContact C-N 3.25Å; G10-L12 PolarHBondContact O-N 3.01Å; L12-Y15 PolarHBondContact O-N 2.86Å; L12-R16 WeakPolarHBondContact O-CG 3.47Å; L12-R16 PolarHBondContact O-N 3.26Å
13Q91.1Very high87.1Confident62 Ų6259 Ų5929%0.2930%0.299SS..Hα-helixtrans-62.9-49176.5-72.3173-10.600110.9L9 G10 Y15 R16 I17 V38L9-Q13 WeakPolarHBondContact O-CG 3.29Å; L9-Q13 PolarHBondContact O-N 3.23Å; G10-Q13 PolarHBondContact O-N 2.83Å; G10-Q13 VanDerWaalsContact O-N 3.09Å; Q13-Y15 PolarHBondContact O-N 2.97Å; Q13-R16 PolarHBondContact O-N 3.35Å; Q13-I17 WeakPolarHBondContact O-CG1 3.45Å; Q13-I17 PolarHBondContact O-N 3.11Å; Q13-V38 HydrophobicContact CB-CG2 3.82Å
14L93.6Very high88.9Confident0 Ų057.9 Ų57.90%029%0.29CS..Hα-helixtrans-58.5-46.2175.1-177.677.1000111.4G10 R16 I17 L18 F27 F30 I31 G35 V38 L41G10-L14 WeakPolarHBondContact O-CB 3.37Å; G10-L14 PolarHBondContact O-N 2.85Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.17Å; L14-I17 PolarHBondContact O-N 2.84Å; L14-I17 VanDerWaalsContact O-N 3.1Å; L14-L18 HydrophobicContact CD1-CD1 4.28Å; L14-L18 HydrophobicContact CD1-CG 4.41Å; L14-L18 HydrophobicContact CD2-CD1 4.2Å; L14-L18 HydrophobicContact CG-CD1 3.9Å; L14-L18 HydrophobicContact CG-CG 4.32Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.88Å; L14-F27 HydrophobicContact CD2-CD2 4.18Å; L14-F27 HydrophobicContact CD2-CE2 4.28Å; L14-F30 HydrophobicContact CD2-CB 3.55Å; L14-F30 HydrophobicContact CD2-CD2 4.46Å; L14-F30 HydrophobicContact CD2-CG 4.04Å; L14-I31 HydrophobicContact CD2-CD1 3.65Å; L14-G35 WeakPolarHBondContact CD2-O 3.39Å; L14-V38 HydrophobicContact CB-CG2 4.01Å; L14-L41 HydrophobicContact CD1-CD2 4.13Å
15Y93.1Very high90.2Very high43 Ų4360.4 Ų60.417%0.16931%0.305CS..Hα-helixtrans-55.6-44.6177.5-176.4-87.2000111.2P6 E11 L12 Q13 Q19 L24 F27P6-Y15 HydrophobicContact CG-CG 4.4Å; E11-Y15 WeakPolarHBondContact O-CB 3.4Å; E11-Y15 PolarHBondContact O-N 3.3Å; L12-Y15 PolarHBondContact O-N 2.86Å; Q13-Y15 PolarHBondContact O-N 2.97Å; Y15-Q19 WeakPolarHBondContact O-CB 3.43Å; Y15-Q19 PolarHBondContact O-N 3.1Å; Y15-L24 HydrophobicContact CD1-CD2 4.49Å; Y15-L24 HydrophobicContact CD2-CD2 3.86Å; Y15-L24 HydrophobicContact CE1-CD2 4.34Å; Y15-L24 HydrophobicContact CE2-CD2 3.7Å; Y15-L24 HydrophobicContact CG-CD2 4.25Å; Y15-F27 HydrophobicContact CD2-CD1 4.11Å; Y15-F27 AromaticContact CD2-CD2 3.94Å; Y15-F27 HydrophobicContact CD2-CD2 3.94Å; Y15-F27 HydrophobicContact CD2-CE1 4.12Å; Y15-F27 AromaticContact CD2-CE2 3.97Å; Y15-F27 HydrophobicContact CD2-CE2 3.97Å; Y15-F27 HydrophobicContact CD2-CG 4.01Å; Y15-F27 HydrophobicContact CD2-CZ 4.06Å; Y15-F27 HydrophobicContact CG-CD2 4.49Å; Y15-F27 HydrophobicContact CG-CE2 4.34Å
16R91.6Very high91.1Very high68 Ų6854.3 Ų54.326%0.25727%0.272SS..Hα-helixtrans-65-38.5176.4-69.2-64.1-173.1-155.31.9112.8L12 Q13 L14 Q19 K20 F82L12-R16 WeakPolarHBondContact O-CG 3.47Å; L12-R16 PolarHBondContact O-N 3.26Å; Q13-R16 PolarHBondContact O-N 3.35Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.17Å; R16-Q19 PolarHBondContact O-N 3.32Å; R16-K20 PolarHBondContact O-N 2.94Å; R16-F82 HydrophobicContact CB-CB 4.22Å; R16-F82 HydrophobicContact CB-CD1 4.35Å; R16-F82 WeakPolarHBondContact CG-O 3.27Å
17I93.3Very high91.7Very high0 Ų052.4 Ų52.40%026%0.259CS..Hα-helixtrans-66.5-47.8178.2-67.5164.1000110.7Q13 L14 Q19 K20 A21 V38 L68 A71 L72 W75 F82Q13-I17 WeakPolarHBondContact O-CG1 3.45Å; Q13-I17 PolarHBondContact O-N 3.11Å; L14-I17 PolarHBondContact O-N 2.84Å; L14-I17 VanDerWaalsContact O-N 3.1Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 PolarHBondContact O-N 2.81Å; I17-K20 PolarHBondContact O-N 3.23Å; I17-A21 WeakPolarHBondContact O-CB 3.5Å; I17-A21 PolarHBondContact O-N 3.41Å; I17-V38 HydrophobicContact CD1-CB 4.3Å; I17-V38 HydrophobicContact CD1-CG1 3.3Å; I17-V38 HydrophobicContact CD1-CG2 3.93Å; I17-L68 HydrophobicContact CG2-CD1 4.33Å; I17-A71 HydrophobicContact CG2-CB 3.88Å; I17-L72 HydrophobicContact CD1-CD2 4.27Å; I17-L72 HydrophobicContact CG2-CD2 4.01Å; I17-L72 HydrophobicContact CG2-CG 4.44Å; I17-W75 HydrophobicContact CD1-CB 4.08Å; I17-W75 HydrophobicContact CD1-CD2 3.97Å; I17-W75 HydrophobicContact CD1-CG 3.65Å; I17-W75 HydrophobicContact CG1-CB 4.2Å; I17-W75 HydrophobicContact CG1-CG 4.06Å; I17-F82 HydrophobicContact CB-CE1 4.32Å; I17-F82 HydrophobicContact CG1-CD1 3.84Å; I17-F82 HydrophobicContact CG1-CE1 3.79Å
18L93.9Very high92.1Very high0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-65.9-34.8175.6-65.3175.7000112.1L14 A21 N22 L23 L24 F27 F30 L68L14-L18 HydrophobicContact CD1-CD1 4.28Å; L14-L18 HydrophobicContact CD1-CG 4.41Å; L14-L18 HydrophobicContact CD2-CD1 4.2Å; L14-L18 HydrophobicContact CG-CD1 3.9Å; L14-L18 HydrophobicContact CG-CG 4.32Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 3.47Å; L18-N22 PolarHBondContact O-N 3.42Å; L18-N22 VanDerWaalsContact O-N 3.1Å; L18-L23 HydrophobicContact CB-CB 4.46Å; L18-L23 HydrophobicContact CD2-CB 3.8Å; L18-L23 PolarHBondContact O-N 2.89Å; L18-L24 HydrophobicContact CB-CD2 4.13Å; L18-F27 HydrophobicContact CD1-CB 4.02Å; L18-F27 HydrophobicContact CD1-CD2 4.16Å; L18-F30 HydrophobicContact CD1-CD2 3.73Å; L18-F30 HydrophobicContact CD1-CE2 4.08Å; L18-F30 HydrophobicContact CD2-CD2 4.35Å; L18-F30 HydrophobicContact CD2-CE2 3.84Å; L18-L68 HydrophobicContact CD2-CD1 3.86Å
19Q92.1Very high92.4Very high41 Ų4143.5 Ų43.519%0.19223%0.231CC..Hα-helixtrans-61-50.1172.4-171.7168.426.800111.4Y15 R16 I17 A21 N22 L24 L86Y15-Q19 WeakPolarHBondContact O-CB 3.43Å; Y15-Q19 PolarHBondContact O-N 3.1Å; R16-Q19 PolarHBondContact O-N 3.32Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 PolarHBondContact O-N 2.81Å; Q19-A21 VanDerWaalsContact C-N 3.32Å; Q19-A21 PolarHBondContact O-N 3.13Å; Q19-N22 PolarHBondContact O-N 2.95Å; Q19-L24 HydrophobicContact CB-CD1 4.18Å; Q19-L24 HydrophobicContact CB-CD2 4Å; Q19-L24 HydrophobicContact CB-CG 4.19Å; Q19-L24 HydrophobicContact CG-CD1 4.12Å; Q19-L86 HydrophobicContact CB-CD1 4.22Å; Q19-L86 HydrophobicContact CG-CD1 3.7Å
20K89.5Confident92.8Very high80 Ų8037.7 Ų37.735%0.34820%0.201SC..Hα-helixtrans-65.1-34.8178-165.4-167.1-179.2-1600112.4R16 I17 N22 D74 F82R16-K20 PolarHBondContact O-N 2.94Å; I17-K20 PolarHBondContact O-N 3.23Å; K20-N22 VanDerWaalsContact C-N 3.26Å; K20-N22 PolarHBondContact O-N 2.85Å; K20-D74 IonicContact NZ-OD2 3.13Å; K20-D74 PolarHBondContact NZ-OD2 3.27Å; K20-F82 HydrophobicContact CB-CD1 4.37Å; K20-F82 HydrophobicContact CB-CE1 3.86Å; K20-F82 HydrophobicContact CD-CD1 4.08Å; K20-F82 HydrophobicContact CD-CE1 3.27Å; K20-F82 HydrophobicContact CD-CE2 4.16Å; K20-F82 HydrophobicContact CD-CZ 3.34Å; K20-F82 HydrophobicContact CG-CE1 4.2Å
21A93.4Very high93.1Very high10 Ų1039.3 Ų39.38%0.08321%0.206CC..Hα-helixtrans-75.2-11.5176.900000114I17 L18 Q19 L23 R67 A71I17-A21 WeakPolarHBondContact O-CB 3.5Å; I17-A21 PolarHBondContact O-N 3.41Å; L18-A21 PolarHBondContact O-N 3.47Å; Q19-A21 VanDerWaalsContact C-N 3.32Å; Q19-A21 PolarHBondContact O-N 3.13Å; A21-L23 HydrophobicContact CB-CB 4.18Å; A21-L23 HydrophobicContact CB-CD1 3.69Å; A21-L23 HydrophobicContact CB-CG 3.82Å; A21-R67 PolarHBondContact O-NH1 3.32Å; A21-A71 HydrophobicContact CB-CB 3.82Å
22N93.6Very high93.1Very high121 Ų12145.7 Ų45.765%0.64724%0.235SC*.THydrogen-bonded Turntrans54.852.4-165.7-171.828.6000112.3L18 Q19 K20 R67L18-N22 PolarHBondContact O-N 3.42Å; L18-N22 VanDerWaalsContact O-N 3.1Å; Q19-N22 PolarHBondContact O-N 2.95Å; K20-N22 VanDerWaalsContact C-N 3.26Å; K20-N22 PolarHBondContact O-N 2.85Å; N22-R67 PolarHBondContact O-NH1 3.23Å
23L95.4Very high93.2Very high1 Ų147.4 Ų47.41%0.00524%0.241CC..  trans-129.318.5-177.7-66.2177.2000112.8L18 A21 S25 Y26 M58 H64 R67 L68L18-L23 HydrophobicContact CB-CB 4.46Å; L18-L23 HydrophobicContact CD2-CB 3.8Å; L18-L23 PolarHBondContact O-N 2.89Å; A21-L23 HydrophobicContact CB-CB 4.18Å; A21-L23 HydrophobicContact CB-CD1 3.69Å; A21-L23 HydrophobicContact CB-CG 3.82Å; L23-S25 PolarHBondContact O-N 3.16Å; L23-Y26 HydrophobicContact CB-CD2 4.26Å; L23-Y26 HydrophobicContact CD2-CD2 4.25Å; L23-Y26 HydrophobicContact CD2-CE2 4.19Å; L23-Y26 PolarHBondContact O-N 2.91Å; L23-M58 HydrophobicContact CD1-SD 4.28Å; L23-H64 HydrophobicContact CD2-CB 3.83Å; L23-R67 HydrophobicContact CD1-CB 4.18Å; L23-L68 HydrophobicContact CD1-CB 3.77Å
24L93.6Very high93.1Very high41 Ų4146.6 Ų46.622%0.21525%0.25CC..G310 helixtrans-55.5-23-179.4-74.3176.4000114.5Y15 L18 Q19 Y26 F27Y15-L24 HydrophobicContact CD1-CD2 4.49Å; Y15-L24 HydrophobicContact CD2-CD2 3.86Å; Y15-L24 HydrophobicContact CE1-CD2 4.34Å; Y15-L24 HydrophobicContact CE2-CD2 3.7Å; Y15-L24 HydrophobicContact CG-CD2 4.25Å; L18-L24 HydrophobicContact CB-CD2 4.13Å; Q19-L24 HydrophobicContact CB-CD1 4.18Å; Q19-L24 HydrophobicContact CB-CD2 4Å; Q19-L24 HydrophobicContact CB-CG 4.19Å; Q19-L24 HydrophobicContact CG-CD1 4.12Å; L24-Y26 PolarHBondContact O-N 3.38Å; L24-F27 VanDerWaalsContact O-CB 3.3Å; L24-F27 WeakPolarHBondContact O-CB 3.47Å; L24-F27 PolarHBondContact O-N 3.34Å
25S93.4Very high93Very high95 Ų9547.3 Ų47.366%0.66426%0.258SS*.G310 helixtrans-59.5-15.3173.358.80000114.4L23L23-S25 PolarHBondContact O-N 3.16Å
26Y94.4Very high92.8Very high19 Ų1947.7 Ų47.78%0.07526%0.262CS..G310 helixtrans-101.4-5.2177.6-63.7-80.1000113.1L23 L24 D28 A29 F30 V56 M58 H64L23-Y26 HydrophobicContact CB-CD2 4.26Å; L23-Y26 HydrophobicContact CD2-CD2 4.25Å; L23-Y26 HydrophobicContact CD2-CE2 4.19Å; L23-Y26 PolarHBondContact O-N 2.91Å; L24-Y26 PolarHBondContact O-N 3.38Å; Y26-D28 PolarHBondContact O-N 3.47Å; Y26-A29 WeakPolarHBondContact O-CB 3.21Å; Y26-A29 PolarHBondContact O-N 3.42Å; Y26-A29 VanDerWaalsContact O-N 3.14Å; Y26-F30 VanDerWaalsContact O-CD2 3.31Å; Y26-F30 WeakPolarHBondContact O-CD2 3.39Å; Y26-F30 PolarHBondContact O-N 2.9Å; Y26-V56 HydrophobicContact CD1-CG1 3.99Å; Y26-V56 WeakPolarHBondContact CD1-O 3.48Å; Y26-V56 HydrophobicContact CG-CG1 4.46Å; Y26-M58 HydrophobicContact CD1-CE 4.29Å; Y26-M58 HydrophobicContact CD1-CG 3.76Å; Y26-M58 HydrophobicContact CD1-SD 4.45Å; Y26-M58 HydrophobicContact CD2-CE 4.48Å; Y26-M58 HydrophobicContact CD2-CG 4.13Å; Y26-M58 HydrophobicContact CD2-SD 4.07Å; Y26-M58 HydrophobicContact CE1-CB 4.49Å; Y26-M58 HydrophobicContact CE1-CG 3.49Å; Y26-M58 VanDerWaalsContact CE1-CG 3.49Å; Y26-M58 HydrophobicContact CE2-CG 3.92Å; Y26-M58 HydrophobicContact CE2-SD 4.26Å; Y26-M58 HydrophobicContact CG-CE 4.04Å; Y26-M58 HydrophobicContact CG-CG 4.05Å; Y26-M58 HydrophobicContact CG-SD 4.17Å; Y26-H64 AromaticContact CE2-CE1 3.95Å; Y26-H64 AromaticContact CE2-ND1 3.29Å; Y26-H64 VanDerWaalsContact CE2-ND1 3.29Å; Y26-H64 WeakPolarHBondContact CE2-ND1 3.38Å; Y26-H64 AromaticContact CZ-ND1 3.54Å; Y26-H64 PolarHBondContact OH-ND1 3.15Å
27F94.3Very high92.8Very high0 Ų048.3 Ų48.30%027%0.271CS..Hα-helixtrans-56.5-55.6-175.3176.4-106000111.5A4 P6 E11 L14 Y15 L18 L24 A29 F30 I31A4-F27 HydrophobicContact CB-CE1 4.19Å; A4-F27 VanDerWaalsContact O-CE1 3.28Å; A4-F27 WeakPolarHBondContact O-CE1 3.43Å; P6-F27 HydrophobicContact CB-CZ 4.28Å; E11-F27 HydrophobicContact CB-CZ 4.35Å; E11-F27 WeakPolarHBondContact O-CE2 3.43Å; L14-F27 HydrophobicContact CD2-CD2 4.18Å; L14-F27 HydrophobicContact CD2-CE2 4.28Å; Y15-F27 HydrophobicContact CD2-CD1 4.11Å; Y15-F27 AromaticContact CD2-CD2 3.94Å; Y15-F27 HydrophobicContact CD2-CD2 3.94Å; Y15-F27 HydrophobicContact CD2-CE1 4.12Å; Y15-F27 AromaticContact CD2-CE2 3.97Å; Y15-F27 HydrophobicContact CD2-CE2 3.97Å; Y15-F27 HydrophobicContact CD2-CG 4.01Å; Y15-F27 HydrophobicContact CD2-CZ 4.06Å; Y15-F27 HydrophobicContact CG-CD2 4.49Å; Y15-F27 HydrophobicContact CG-CE2 4.34Å; L18-F27 HydrophobicContact CD1-CB 4.02Å; L18-F27 HydrophobicContact CD1-CD2 4.16Å; L24-F27 VanDerWaalsContact O-CB 3.3Å; L24-F27 WeakPolarHBondContact O-CB 3.47Å; L24-F27 PolarHBondContact O-N 3.34Å; F27-A29 PolarHBondContact O-N 3.47Å; F27-A29 VanDerWaalsContact O-N 3.16Å; F27-F30 PolarHBondContact O-N 2.63Å; F27-I31 HydrophobicContact CD1-CG1 4.38Å; F27-I31 HydrophobicContact CD2-CD1 4.33Å; F27-I31 HydrophobicContact CD2-CG1 4.26Å; F27-I31 HydrophobicContact CE1-CG1 3.95Å; F27-I31 HydrophobicContact CE2-CD1 3.76Å; F27-I31 HydrophobicContact CE2-CG1 3.81Å; F27-I31 HydrophobicContact CZ-CD1 4Å; F27-I31 HydrophobicContact CZ-CG1 3.65Å; F27-I31 WeakPolarHBondContact O-CG1 3.19Å; F27-I31 PolarHBondContact O-N 2.85Å
28D93.5Very high92.7Very high63 Ų6348.3 Ų48.334%0.33727%0.271SS..Hα-helixtrans-59.1-32.8-179.8-51.8-55000111.7A4 Y26 I31 Q32A4-D28 WeakPolarHBondContact CB-OD1 3.36Å; A4-D28 PolarHBondContact N-OD1 2.81Å; Y26-D28 PolarHBondContact O-N 3.47Å; D28-I31 PolarHBondContact O-N 2.93Å; D28-Q32 VanDerWaalsContact O-CB 3.26Å; D28-Q32 WeakPolarHBondContact O-CB 3.46Å; D28-Q32 PolarHBondContact O-N 3.29Å
29A94Very high92.5Very high36 Ų3653.8 Ų53.830%0.29830%0.297SS..Hα-helixtrans-74.1-31.4177.600000113.7Y26 F27 Q33 V56Y26-A29 WeakPolarHBondContact O-CB 3.21Å; Y26-A29 PolarHBondContact O-N 3.42Å; Y26-A29 VanDerWaalsContact O-N 3.14Å; F27-A29 PolarHBondContact O-N 3.47Å; F27-A29 VanDerWaalsContact O-N 3.16Å; A29-Q33 VanDerWaalsContact O-CG 3.28Å; A29-Q33 WeakPolarHBondContact O-CG 3.48Å; A29-V56 HydrophobicContact CB-CG1 4.03Å
30F94.4Very high92.5Very high1 Ų158 Ų580%0.00432%0.316CS..Hα-helixtrans-68.9-45.7168.5-83.6-78000111.3L14 L18 Y26 F27 Q32 Q33 G34 G35 L41 I52 M53 V56 M58 L68L14-F30 HydrophobicContact CD2-CB 3.55Å; L14-F30 HydrophobicContact CD2-CD2 4.46Å; L14-F30 HydrophobicContact CD2-CG 4.04Å; L18-F30 HydrophobicContact CD1-CD2 3.73Å; L18-F30 HydrophobicContact CD1-CE2 4.08Å; L18-F30 HydrophobicContact CD2-CD2 4.35Å; L18-F30 HydrophobicContact CD2-CE2 3.84Å; Y26-F30 VanDerWaalsContact O-CD2 3.31Å; Y26-F30 WeakPolarHBondContact O-CD2 3.39Å; Y26-F30 PolarHBondContact O-N 2.9Å; F27-F30 PolarHBondContact O-N 2.63Å; F30-Q32 VanDerWaalsContact C-N 3.29Å; F30-Q32 PolarHBondContact O-N 3.03Å; F30-Q33 CarbonylContact O-C 3.52Å; F30-Q33 PolarHBondContact O-N 3.04Å; F30-G34 PolarHBondContact O-N 3.01Å; F30-G35 PolarHBondContact O-N 3.36Å; F30-L41 HydrophobicContact CE1-CD1 4.14Å; F30-L41 HydrophobicContact CE1-CD2 3.91Å; F30-L41 HydrophobicContact CZ-CD2 4.38Å; F30-I52 HydrophobicContact CE1-CG2 4.14Å; F30-M53 HydrophobicContact CE1-CE 4.2Å; F30-M53 HydrophobicContact CZ-CE 4.02Å; F30-V56 HydrophobicContact CD1-CG1 4.44Å; F30-V56 HydrophobicContact CD1-CG2 3.88Å; F30-V56 HydrophobicContact CD2-CG1 3.83Å; F30-V56 HydrophobicContact CE1-CG1 4.39Å; F30-V56 HydrophobicContact CE1-CG2 4.02Å; F30-V56 HydrophobicContact CE2-CG1 3.78Å; F30-V56 HydrophobicContact CG-CG1 4.17Å; F30-V56 HydrophobicContact CG-CG2 4.21Å; F30-V56 HydrophobicContact CZ-CG1 4.06Å; F30-V56 HydrophobicContact CZ-CG2 4.47Å; F30-M58 HydrophobicContact CE2-CE 3.37Å; F30-M58 HydrophobicContact CZ-CE 3.42Å; F30-M58 VanDerWaalsContact CZ-CE 3.42Å; F30-L68 HydrophobicContact CZ-CD2 3.82Å
31I93.9Very high92.6Very high47 Ų4754.7 Ų54.724%0.24130%0.302CS..Hα-helixtrans-64.1-38-178.6-55-37.8000110.7E11 L14 F27 D28 Q33 G34 D36E11-I31 HydrophobicContact CB-CD1 4.42Å; E11-I31 HydrophobicContact CG-CD1 3.75Å; E11-I31 HydrophobicContact CG-CG1 4.32Å; L14-I31 HydrophobicContact CD2-CD1 3.65Å; F27-I31 HydrophobicContact CD1-CG1 4.38Å; F27-I31 HydrophobicContact CD2-CD1 4.33Å; F27-I31 HydrophobicContact CD2-CG1 4.26Å; F27-I31 HydrophobicContact CE1-CG1 3.95Å; F27-I31 HydrophobicContact CE2-CD1 3.76Å; F27-I31 HydrophobicContact CE2-CG1 3.81Å; F27-I31 HydrophobicContact CZ-CD1 4Å; F27-I31 HydrophobicContact CZ-CG1 3.65Å; F27-I31 WeakPolarHBondContact O-CG1 3.19Å; F27-I31 PolarHBondContact O-N 2.85Å; D28-I31 PolarHBondContact O-N 2.93Å; I31-Q33 PolarHBondContact O-N 3.33Å; I31-G34 PolarHBondContact O-N 2.89Å; I31-G34 VanDerWaalsContact O-N 3.14Å; I31-D36 HydrophobicContact CD1-CB 4.03Å
32Q93.3Very high92.6Very high160 Ų16056.3 Ų56.375%0.74831%0.312SS*.Hα-helixtrans-56.2-30.5172.7-171.877.381.600113.4D28 F30D28-Q32 VanDerWaalsContact O-CB 3.26Å; D28-Q32 WeakPolarHBondContact O-CB 3.46Å; D28-Q32 PolarHBondContact O-N 3.29Å; F30-Q32 VanDerWaalsContact C-N 3.29Å; F30-Q32 PolarHBondContact O-N 3.03Å
33Q91.1Very high92.5Very high107 Ų10757 Ų5750%0.531%0.312SS..THydrogen-bonded Turntrans-100.65.8-178.3-58.6-66.5-5.300113.3A29 F30 I31 G35 V56A29-Q33 VanDerWaalsContact O-CG 3.28Å; A29-Q33 WeakPolarHBondContact O-CG 3.48Å; F30-Q33 CarbonylContact O-C 3.52Å; F30-Q33 PolarHBondContact O-N 3.04Å; I31-Q33 PolarHBondContact O-N 3.33Å; Q33-G35 VanDerWaalsContact C-N 3.29Å; Q33-G35 PolarHBondContact O-N 3.48Å; Q33-V56 HydrophobicContact CG-CG2 4.43Å
34G90.3Very high92.4Very high45 Ų4558 Ų5846%0.46432%0.321SS..THydrogen-bonded Turntrans70.122.5-175.900000114.3F30 I31 D36F30-G34 PolarHBondContact O-N 3.01Å; I31-G34 PolarHBondContact O-N 2.89Å; I31-G34 VanDerWaalsContact O-N 3.14Å; G34-D36 PolarHBondContact O-N 3.3Å; G34-D36 VanDerWaalsContact O-N 3.15Å
35G90.4Very high92.2Very high16 Ų1657.7 Ų57.717%0.16533%0.327CS..THydrogen-bonded Turntrans-8334.7-179.600000114.4L14 F30 Q33L14-G35 WeakPolarHBondContact CD2-O 3.39Å; F30-G35 PolarHBondContact O-N 3.36Å; Q33-G35 VanDerWaalsContact C-N 3.29Å; Q33-G35 PolarHBondContact O-N 3.48Å
36D90.1Very high92.1Very high50 Ų5061 Ų6127%0.26733%0.332SS..THydrogen-bonded Turntrans-87.7-12.7179.371.3-58.1000114T8 G10 E11 I31 G34 V38T8-D36 PolarHBondContact OG1-OD2 3.29Å; G10-D36 CarbonylContact C-O 3.59Å; G10-D36 WeakPolarHBondContact CA-O 3.36Å; E11-D36 HydrophobicContact CG-CB 3.93Å; I31-D36 HydrophobicContact CD1-CB 4.03Å; G34-D36 PolarHBondContact O-N 3.3Å; G34-D36 VanDerWaalsContact O-N 3.15Å; D36-V38 PolarHBondContact O-N 3.26Å
37D91.5Very high92Very high81 Ų8168.2 Ų68.243%0.43337%0.366SS..  trans-77.199.7166.9-165.2-36.4000111.1Q39 Q40 L41D37-Q39 VanDerWaalsContact C-N 3.3Å; D37-Q39 PolarHBondContact O-N 3.41Å; D37-Q39 WeakPolarHBondContact OD1-CA 3.46Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.37Å; D37-Q39 PolarHBondContact OD1-N 3.19Å; D37-Q40 HydrophobicContact CB-CB 3.98Å; D37-Q40 PolarHBondContact OD1-N 3.22Å; D37-L41 PolarHBondContact O-N 3.07Å
38V90.8Very high91.9Very high1 Ų173.7 Ų73.71%0.00639%0.392CS..Hα-helixtrans-66.3-30.9177.1176.60000112.3Q13 L14 I17 D36 L41 C42 L72 W75Q13-V38 HydrophobicContact CB-CG2 3.82Å; L14-V38 HydrophobicContact CB-CG2 4.01Å; I17-V38 HydrophobicContact CD1-CB 4.3Å; I17-V38 HydrophobicContact CD1-CG1 3.3Å; I17-V38 HydrophobicContact CD1-CG2 3.93Å; D36-V38 PolarHBondContact O-N 3.26Å; V38-L41 PolarHBondContact O-N 3.01Å; V38-C42 PolarHBondContact O-N 3.37Å; V38-C42 VanDerWaalsContact O-N 3.1Å; V38-C42 PolarHBondContact O-SG 3.05Å; V38-L72 HydrophobicContact CG1-CD2 4.26Å; V38-W75 HydrophobicContact CB-CH2 4.19Å; V38-W75 HydrophobicContact CB-CZ2 4.38Å; V38-W75 HydrophobicContact CB-CZ3 4.46Å; V38-W75 HydrophobicContact CG1-CD2 3.85Å; V38-W75 HydrophobicContact CG1-CE3 3.64Å; V38-W75 HydrophobicContact CG1-CH2 3.68Å; V38-W75 HydrophobicContact CG1-CZ2 3.87Å; V38-W75 HydrophobicContact CG1-CZ3 3.57Å
39Q89.7Confident91.9Very high115 Ų11571.5 Ų71.554%0.53738%0.379SS..Hα-helixtrans-71.3-46.6-179.3-178.5172.3-14.400110D37 L41 C42 E43D37-Q39 VanDerWaalsContact C-N 3.3Å; D37-Q39 PolarHBondContact O-N 3.41Å; D37-Q39 WeakPolarHBondContact OD1-CA 3.46Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.37Å; D37-Q39 PolarHBondContact OD1-N 3.19Å; Q39-L41 VanDerWaalsContact C-N 3.25Å; Q39-L41 PolarHBondContact O-N 3.21Å; Q39-C42 WeakPolarHBondContact O-CA 3.47Å; Q39-C42 WeakPolarHBondContact O-CB 3.46Å; Q39-C42 PolarHBondContact O-N 3.38Å; Q39-E43 HydrophobicContact CG-CG 4.43Å; Q39-E43 VanDerWaalsContact CG-OE1 3.23Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.41Å; Q39-E43 PolarHBondContact NE2-OE1 3.48Å; Q39-E43 WeakPolarHBondContact O-CG 3.48Å; Q39-E43 PolarHBondContact O-N 2.81Å
40Q92.1Very high91.9Very high130 Ų13074 Ų7461%0.60739%0.387SS*.Hα-helixtrans-56.2-41.3172.3-169.8-178.25.400111.4D37 C42 E43 A44D37-Q40 HydrophobicContact CB-CB 3.98Å; D37-Q40 PolarHBondContact OD1-N 3.22Å; Q40-C42 PolarHBondContact O-N 3.13Å; Q40-E43 PolarHBondContact O-N 3.01Å; Q40-A44 WeakPolarHBondContact O-CB 3.29Å; Q40-A44 PolarHBondContact O-N 3.3Å
41L92.3Very high91.9Very high9 Ų979.9 Ų79.95%0.04742%0.415CS..Hα-helixtrans-67.9-19.5177-162.269.5000113.9L14 F30 D37 V38 Q39 I52 L72L14-L41 HydrophobicContact CD1-CD2 4.13Å; F30-L41 HydrophobicContact CE1-CD1 4.14Å; F30-L41 HydrophobicContact CE1-CD2 3.91Å; F30-L41 HydrophobicContact CZ-CD2 4.38Å; D37-L41 PolarHBondContact O-N 3.07Å; V38-L41 PolarHBondContact O-N 3.01Å; Q39-L41 VanDerWaalsContact C-N 3.25Å; Q39-L41 PolarHBondContact O-N 3.21Å; L41-I52 HydrophobicContact CD1-CD1 4.12Å; L41-I52 HydrophobicContact CD1-CG2 3.9Å; L41-L72 HydrophobicContact CD2-CD1 4.16Å; L41-L72 HydrophobicContact CD2-CD2 4.17Å; L41-L72 HydrophobicContact CG-CD1 4.14Å
42C92.2Very high91.9Very high44 Ų4479.9 Ų79.930%0.29742%0.415SS..Hα-helixtrans-90.1-29.1173.7-67.30000113.2V38 Q39 Q40 V76V38-C42 PolarHBondContact O-N 3.37Å; V38-C42 VanDerWaalsContact O-N 3.1Å; V38-C42 PolarHBondContact O-SG 3.05Å; Q39-C42 WeakPolarHBondContact O-CA 3.47Å; Q39-C42 WeakPolarHBondContact O-CB 3.46Å; Q39-C42 PolarHBondContact O-N 3.38Å; Q40-C42 PolarHBondContact O-N 3.13Å; C42-V76 HydrophobicContact CB-CG2 3.99Å
43E91.9Very high91.9Very high136 Ų13672.3 Ų72.364%0.63638%0.379SS*.Hα-helixtrans-88.9-18.9-178.5-69.5176.7-169.500113.2Q39 Q40Q39-E43 HydrophobicContact CG-CG 4.43Å; Q39-E43 VanDerWaalsContact CG-OE1 3.23Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.41Å; Q39-E43 PolarHBondContact NE2-OE1 3.48Å; Q39-E43 WeakPolarHBondContact O-CG 3.48Å; Q39-E43 PolarHBondContact O-N 2.81Å; Q40-E43 PolarHBondContact O-N 3.01Å
44A92.3Very high92.1Very high23 Ų2370 Ų7019%0.1938%0.379CS..  trans-51.9135.7177.900000113.6Q40 E48 F49 I52Q40-A44 WeakPolarHBondContact O-CB 3.29Å; Q40-A44 PolarHBondContact O-N 3.3Å; A44-E48 WeakPolarHBondContact CA-OE2 3.23Å; A44-E48 HydrophobicContact CB-CB 4.27Å; A44-F49 HydrophobicContact CB-CB 4.4Å; A44-I52 HydrophobicContact CB-CD1 4.5Å
45G90.9Very high92.3Very high34 Ų3472.6 Ų72.635%0.35138%0.381SS..  trans-66.4169.3174.900000113.1E47 E48 F49G45-E47 VanDerWaalsContact C-N 3.3Å; G45-E47 PolarHBondContact O-N 3.47Å; G45-E48 PolarHBondContact N-OE2 3.4Å; G45-E48 PolarHBondContact O-N 3.5Å; G45-F49 WeakPolarHBondContact O-CB 3.36Å; G45-F49 PolarHBondContact O-N 3.22Å
46E90.5Very high92.4Very high164 Ų16472.2 Ų72.277%0.76638%0.376SS*.Hα-helixtrans-60.6-38.3-178.5-177.1166.7-158.200112.7L50E46-L50 HydrophobicContact CG-CD1 4.18Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 WeakPolarHBondContact O-CG 3.41Å; E46-L50 PolarHBondContact O-N 3.3Å
47E92.4Very high92.6Very high170 Ų17071.7 Ų71.779%0.79438%0.382SS*.Hα-helixtrans-68.5-53178-172.8168.6-15700111.9G45 F49 L50 E51G45-E47 VanDerWaalsContact C-N 3.3Å; G45-E47 PolarHBondContact O-N 3.47Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.44Å; E47-L50 PolarHBondContact O-N 2.88Å; E47-L50 VanDerWaalsContact O-N 3.14Å; E47-E51 PolarHBondContact O-N 3.23Å
48E92.8Very high92.7Very high116 Ų11667.8 Ų67.854%0.54236%0.361SS..Hα-helixtrans-57.8-43.8176.4-59.8173.6147.500111.6A44 G45 L50 E51 I52A44-E48 WeakPolarHBondContact CA-OE2 3.23Å; A44-E48 HydrophobicContact CB-CB 4.27Å; G45-E48 PolarHBondContact N-OE2 3.4Å; G45-E48 PolarHBondContact O-N 3.5Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.01Å; E48-E51 PolarHBondContact O-N 2.96Å; E48-I52 VanDerWaalsContact O-CG1 3.29Å; E48-I52 WeakPolarHBondContact O-CG1 3.5Å; E48-I52 PolarHBondContact O-N 2.95Å
49F93.3Very high92.7Very high16 Ų1670.1 Ų70.17%0.0738%0.38CS..Hα-helixtrans-63.9-39.6177.9-175.9-97.8000111.5A44 G45 E47 I52 M53 V65 L68 Q69 L72A44-F49 HydrophobicContact CB-CB 4.4Å; G45-F49 WeakPolarHBondContact O-CB 3.36Å; G45-F49 PolarHBondContact O-N 3.22Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.44Å; F49-I52 PolarHBondContact O-N 3Å; F49-M53 HydrophobicContact CD1-CG 4.1Å; F49-M53 HydrophobicContact CD2-CE 4.38Å; F49-M53 HydrophobicContact CE1-CE 4.5Å; F49-M53 HydrophobicContact CE1-CG 3.79Å; F49-M53 HydrophobicContact CE1-SD 4.24Å; F49-M53 HydrophobicContact CE2-CE 3.9Å; F49-M53 HydrophobicContact CZ-CE 3.96Å; F49-M53 HydrophobicContact CZ-CG 4.13Å; F49-M53 HydrophobicContact CZ-SD 4Å; F49-M53 WeakPolarHBondContact O-CB 3.5Å; F49-M53 VanDerWaalsContact O-CG 3.24Å; F49-M53 WeakPolarHBondContact O-CG 3.27Å; F49-M53 PolarHBondContact O-N 2.77Å; F49-V65 HydrophobicContact CE1-CG1 3.7Å; F49-V65 HydrophobicContact CZ-CG1 4.41Å; F49-L68 HydrophobicContact CE2-CD2 4.38Å; F49-L68 HydrophobicContact CZ-CD2 4.18Å; F49-Q69 HydrophobicContact CE1-CG 3.63Å; F49-Q69 HydrophobicContact CZ-CG 3.6Å; F49-L72 HydrophobicContact CE2-CD1 4.08Å
50L92.9Very high92.8Very high88 Ų8869.3 Ų69.346%0.46139%0.388SS..Hα-helixtrans-67.2-36.4174.8-75.6170.6000112.5E46 E47 E48 M53 A54E46-L50 HydrophobicContact CG-CD1 4.18Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 WeakPolarHBondContact O-CG 3.41Å; E46-L50 PolarHBondContact O-N 3.3Å; E47-L50 PolarHBondContact O-N 2.88Å; E47-L50 VanDerWaalsContact O-N 3.14Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.01Å; L50-M53 PolarHBondContact O-N 3.15Å; L50-A54 PolarHBondContact O-N 3.33Å
51E94.4Very high93Very high125 Ų12567.9 Ų67.958%0.58438%0.379SS*.Hα-helixtrans-62.5-49.3172.4-175.5175.2-169.400111.3E47 E48 M53 A54 L55E47-E51 PolarHBondContact O-N 3.23Å; E48-E51 PolarHBondContact O-N 2.96Å; E51-M53 VanDerWaalsContact C-N 3.29Å; E51-M53 PolarHBondContact O-N 2.98Å; E51-A54 WeakPolarHBondContact O-CA 3.28Å; E51-A54 WeakPolarHBondContact O-CB 3.15Å; E51-A54 PolarHBondContact O-N 2.95Å; E51-L55 HydrophobicContact CG-CD1 4.16Å; E51-L55 WeakPolarHBondContact O-CG 3.23Å; E51-L55 PolarHBondContact O-N 3.1Å
52I93.9Very high93Very high48 Ų4871.8 Ų71.825%0.24641%0.405CS..Hα-helixtrans-58.9-42.1175.3-62.2162.1000110.4F30 L41 A44 E48 F49 A54 L55 V56F30-I52 HydrophobicContact CE1-CG2 4.14Å; L41-I52 HydrophobicContact CD1-CD1 4.12Å; L41-I52 HydrophobicContact CD1-CG2 3.9Å; A44-I52 HydrophobicContact CB-CD1 4.5Å; E48-I52 VanDerWaalsContact O-CG1 3.29Å; E48-I52 WeakPolarHBondContact O-CG1 3.5Å; E48-I52 PolarHBondContact O-N 2.95Å; F49-I52 PolarHBondContact O-N 3Å; I52-A54 VanDerWaalsContact C-N 3.27Å; I52-A54 PolarHBondContact O-N 3.18Å; I52-L55 PolarHBondContact O-N 3.45Å; I52-V56 HydrophobicContact CG2-CG2 4.31Å; I52-V56 WeakPolarHBondContact O-CB 3.47Å; I52-V56 WeakPolarHBondContact O-CG2 3.42Å; I52-V56 PolarHBondContact O-N 3.14Å
53M94.8Very high93.1Very high0 Ų076 Ų760%043%0.425CS..Hα-helixtrans-64.2-30.9175-69.9-50.19600112.5F30 F49 L50 E51 G57 M58 A59 V65 L68F30-M53 HydrophobicContact CE1-CE 4.2Å; F30-M53 HydrophobicContact CZ-CE 4.02Å; F49-M53 HydrophobicContact CD1-CG 4.1Å; F49-M53 HydrophobicContact CD2-CE 4.38Å; F49-M53 HydrophobicContact CE1-CE 4.5Å; F49-M53 HydrophobicContact CE1-CG 3.79Å; F49-M53 HydrophobicContact CE1-SD 4.24Å; F49-M53 HydrophobicContact CE2-CE 3.9Å; F49-M53 HydrophobicContact CZ-CE 3.96Å; F49-M53 HydrophobicContact CZ-CG 4.13Å; F49-M53 HydrophobicContact CZ-SD 4Å; F49-M53 WeakPolarHBondContact O-CB 3.5Å; F49-M53 VanDerWaalsContact O-CG 3.24Å; F49-M53 WeakPolarHBondContact O-CG 3.27Å; F49-M53 PolarHBondContact O-N 2.77Å; L50-M53 PolarHBondContact O-N 3.15Å; E51-M53 VanDerWaalsContact C-N 3.29Å; E51-M53 PolarHBondContact O-N 2.98Å; M53-G57 PolarHBondContact O-N 2.67Å; M53-M58 HydrophobicContact CB-CB 4.36Å; M53-M58 HydrophobicContact CE-CE 4.32Å; M53-M58 CarbonylContact O-C 3.58Å; M53-M58 WeakPolarHBondContact O-CA 3.3Å; M53-M58 PolarHBondContact O-N 2.84Å; M53-M58 HydrophobicContact SD-CB 3.94Å; M53-M58 HydrophobicContact SD-CE 3.79Å; M53-M58 HydrophobicContact SD-SD 4.24Å; M53-A59 HydrophobicContact CB-CB 4.3Å; M53-A59 PolarHBondContact O-N 3.08Å; M53-V65 HydrophobicContact CB-CG2 4.39Å; M53-V65 HydrophobicContact CG-CG1 4.07Å; M53-V65 HydrophobicContact CG-CG2 4.02Å; M53-V65 HydrophobicContact SD-CG1 4.49Å; M53-V65 HydrophobicContact SD-CG2 4.28Å; M53-L68 HydrophobicContact CE-CD2 3.61Å; M53-L68 HydrophobicContact SD-CD2 3.69Å
54A94.1Very high93.3Very high60 Ų6071.4 Ų71.450%0.49640%0.403SS..Hα-helixtrans-71.9-48.4175.300000111.3L50 E51 I52 V56 G57 A59L50-A54 PolarHBondContact O-N 3.33Å; E51-A54 WeakPolarHBondContact O-CA 3.28Å; E51-A54 WeakPolarHBondContact O-CB 3.15Å; E51-A54 PolarHBondContact O-N 2.95Å; I52-A54 VanDerWaalsContact C-N 3.27Å; I52-A54 PolarHBondContact O-N 3.18Å; A54-V56 VanDerWaalsContact C-N 3.32Å; A54-V56 PolarHBondContact O-N 3.42Å; A54-G57 PolarHBondContact O-N 3.04Å; A54-A59 HydrophobicContact CB-CB 4.06Å
55L94.4Very high93.4Very high98 Ų9871 Ų7151%0.51340%0.398SS..Hα-helixtrans-59.4-39.3178.1-68.8170.7000112.8E51 I52 G57E51-L55 HydrophobicContact CG-CD1 4.16Å; E51-L55 WeakPolarHBondContact O-CG 3.23Å; E51-L55 PolarHBondContact O-N 3.1Å; I52-L55 PolarHBondContact O-N 3.45Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.08Å
56V94Very high93.6Very high9 Ų977.8 Ų77.86%0.05541%0.413CS..THydrogen-bonded Turntrans-82.6-2.9177.6179.20000112.4Y26 A29 F30 Q33 I52 A54 M58Y26-V56 HydrophobicContact CD1-CG1 3.99Å; Y26-V56 WeakPolarHBondContact CD1-O 3.48Å; Y26-V56 HydrophobicContact CG-CG1 4.46Å; A29-V56 HydrophobicContact CB-CG1 4.03Å; F30-V56 HydrophobicContact CD1-CG1 4.44Å; F30-V56 HydrophobicContact CD1-CG2 3.88Å; F30-V56 HydrophobicContact CD2-CG1 3.83Å; F30-V56 HydrophobicContact CE1-CG1 4.39Å; F30-V56 HydrophobicContact CE1-CG2 4.02Å; F30-V56 HydrophobicContact CE2-CG1 3.78Å; F30-V56 HydrophobicContact CG-CG1 4.17Å; F30-V56 HydrophobicContact CG-CG2 4.21Å; F30-V56 HydrophobicContact CZ-CG1 4.06Å; F30-V56 HydrophobicContact CZ-CG2 4.47Å; Q33-V56 HydrophobicContact CG-CG2 4.43Å; I52-V56 HydrophobicContact CG2-CG2 4.31Å; I52-V56 WeakPolarHBondContact O-CB 3.47Å; I52-V56 WeakPolarHBondContact O-CG2 3.42Å; I52-V56 PolarHBondContact O-N 3.14Å; A54-V56 VanDerWaalsContact C-N 3.32Å; A54-V56 PolarHBondContact O-N 3.42Å; V56-M58 HydrophobicContact CG1-CE 3.88Å
57G92.6Very high93.9Very high38 Ų3874 Ų7439%0.39239%0.392SS..THydrogen-bonded Turntrans73.424.9177.600000114.7M53 A54 L55M53-G57 PolarHBondContact O-N 2.67Å; A54-G57 PolarHBondContact O-N 3.04Å; L55-G57 VanDerWaalsContact C-N 3.28Å; L55-G57 PolarHBondContact O-N 3.08Å
58M94.1Very high94Very high0 Ų066 Ų660%035%0.354CS..  trans-97.4-21.7174.2-96.7-169-73.100114.8L23 Y26 F30 M53 V56 S60 K61 H64 V65 L68L23-M58 HydrophobicContact CD1-SD 4.28Å; Y26-M58 HydrophobicContact CD1-CE 4.29Å; Y26-M58 HydrophobicContact CD1-CG 3.76Å; Y26-M58 HydrophobicContact CD1-SD 4.45Å; Y26-M58 HydrophobicContact CD2-CE 4.48Å; Y26-M58 HydrophobicContact CD2-CG 4.13Å; Y26-M58 HydrophobicContact CD2-SD 4.07Å; Y26-M58 HydrophobicContact CE1-CB 4.49Å; Y26-M58 HydrophobicContact CE1-CG 3.49Å; Y26-M58 VanDerWaalsContact CE1-CG 3.49Å; Y26-M58 HydrophobicContact CE2-CG 3.92Å; Y26-M58 HydrophobicContact CE2-SD 4.26Å; Y26-M58 HydrophobicContact CG-CE 4.04Å; Y26-M58 HydrophobicContact CG-CG 4.05Å; Y26-M58 HydrophobicContact CG-SD 4.17Å; F30-M58 HydrophobicContact CE2-CE 3.37Å; F30-M58 HydrophobicContact CZ-CE 3.42Å; F30-M58 VanDerWaalsContact CZ-CE 3.42Å; M53-M58 HydrophobicContact CB-CB 4.36Å; M53-M58 HydrophobicContact CE-CE 4.32Å; M53-M58 CarbonylContact O-C 3.58Å; M53-M58 WeakPolarHBondContact O-CA 3.3Å; M53-M58 PolarHBondContact O-N 2.84Å; M53-M58 HydrophobicContact SD-CB 3.94Å; M53-M58 HydrophobicContact SD-CE 3.79Å; M53-M58 HydrophobicContact SD-SD 4.24Å; V56-M58 HydrophobicContact CG1-CE 3.88Å; M58-S60 PolarHBondContact O-N 2.98Å; M58-S60 VanDerWaalsContact O-N 3.15Å; M58-K61 CarbonylContact O-C 3.51Å; M58-K61 WeakPolarHBondContact O-CA 3.48Å; M58-K61 PolarHBondContact O-N 3.28Å; M58-H64 HydrophobicContact CG-CB 4Å; M58-H64 HydrophobicContact SD-CB 3.92Å; M58-V65 HydrophobicContact CB-CG2 4.26Å; M58-V65 WeakPolarHBondContact O-CG2 3.25Å; M58-L68 HydrophobicContact CE-CD2 3.97Å
59A91.6Very high94.1Very high49 Ų4963 Ų6341%0.40534%0.34SS..THydrogen-bonded Turntrans-56.4-34-176.500000113.3M53 A54 K61M53-A59 HydrophobicContact CB-CB 4.3Å; M53-A59 PolarHBondContact O-N 3.08Å; A54-A59 HydrophobicContact CB-CB 4.06Å; A59-K61 PolarHBondContact O-N 2.87Å
60S92.2Very high94.1Very high99 Ų9967.5 Ų67.569%0.69236%0.36SS*.THydrogen-bonded Turntrans-70.8-6.5175.259.90000114.7M58M58-S60 PolarHBondContact O-N 2.98Å; M58-S60 VanDerWaalsContact O-N 3.15Å
61K94.8Very high94.2Very high99 Ų9963.5 Ų63.543%0.4334%0.339SS..  trans-128.180.8-176.6-64.5-174.7-168.6171.20110.6M58 A59 L63 H64 V65M58-K61 CarbonylContact O-C 3.51Å; M58-K61 WeakPolarHBondContact O-CA 3.48Å; M58-K61 PolarHBondContact O-N 3.28Å; A59-K61 PolarHBondContact O-N 2.87Å; K61-L63 PolarHBondContact O-N 2.83Å; K61-L63 VanDerWaalsContact O-N 3.08Å; K61-H64 HydrophobicContact CB-CB 4.05Å; K61-H64 WeakPolarHBondContact O-CB 3.36Å; K61-H64 PolarHBondContact O-N 2.95Å; K61-V65 PolarHBondContact O-N 2.93Å
62P92Very high94.1Very high91 Ų9158 Ų5859%0.59131%0.314SS*.Hα-helixtrans-58.7-29.7-173.821.4-33.6000113.9H64 V65 R66P62-H64 VanDerWaalsContact C-N 3.29Å; P62-H64 PolarHBondContact O-N 3.3Å; P62-V65 PolarHBondContact O-N 2.92Å; P62-R66 VanDerWaalsContact O-CG 3.26Å; P62-R66 WeakPolarHBondContact O-CG 3.35Å; P62-R66 PolarHBondContact O-N 3.3Å
63L95.8Very high94.1Very high134 Ų13462.7 Ų62.770%0.70233%0.328SS*.Hα-helixtrans-68-25.6174.2-64.6-179.8000113.5K61 R67K61-L63 PolarHBondContact O-N 2.83Å; K61-L63 VanDerWaalsContact O-N 3.08Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 3.3Å
64H95.3Very high93.9Very high39 Ų3964.7 Ų64.718%0.18134%0.339CS..Hα-helixtrans-75.7-46.9175.3-69.1-157.1000109.6L23 Y26 M58 K61 P62 R66 R67 L68L23-H64 HydrophobicContact CD2-CB 3.83Å; Y26-H64 AromaticContact CE2-CE1 3.95Å; Y26-H64 AromaticContact CE2-ND1 3.29Å; Y26-H64 VanDerWaalsContact CE2-ND1 3.29Å; Y26-H64 WeakPolarHBondContact CE2-ND1 3.38Å; Y26-H64 AromaticContact CZ-ND1 3.54Å; Y26-H64 PolarHBondContact OH-ND1 3.15Å; M58-H64 HydrophobicContact CG-CB 4Å; M58-H64 HydrophobicContact SD-CB 3.92Å; K61-H64 HydrophobicContact CB-CB 4.05Å; K61-H64 WeakPolarHBondContact O-CB 3.36Å; K61-H64 PolarHBondContact O-N 2.95Å; P62-H64 VanDerWaalsContact C-N 3.29Å; P62-H64 PolarHBondContact O-N 3.3Å; H64-R66 VanDerWaalsContact C-N 3.33Å; H64-R66 PolarHBondContact O-N 3.46Å; H64-R67 PolarHBondContact CD2-NH2 3.02Å; H64-R67 PolarHBondContact NE2-NH2 3.32Å; H64-R67 PolarHBondContact O-N 3.43Å; H64-R67 VanDerWaalsContact O-N 3.08Å; H64-L68 PolarHBondContact O-N 3.14Å
65V94.6Very high93.7Very high14 Ų1463.7 Ų63.79%0.08532%0.323CS..Hα-helixtrans-53.6-48.4172.7-175.10000111.1F49 M53 M58 K61 P62 R67 L68 Q69F49-V65 HydrophobicContact CE1-CG1 3.7Å; F49-V65 HydrophobicContact CZ-CG1 4.41Å; M53-V65 HydrophobicContact CB-CG2 4.39Å; M53-V65 HydrophobicContact CG-CG1 4.07Å; M53-V65 HydrophobicContact CG-CG2 4.02Å; M53-V65 HydrophobicContact SD-CG1 4.49Å; M53-V65 HydrophobicContact SD-CG2 4.28Å; M58-V65 HydrophobicContact CB-CG2 4.26Å; M58-V65 WeakPolarHBondContact O-CG2 3.25Å; K61-V65 PolarHBondContact O-N 2.93Å; P62-V65 PolarHBondContact O-N 2.92Å; V65-R67 PolarHBondContact O-N 3.4Å; V65-L68 PolarHBondContact O-N 2.72Å; V65-Q69 HydrophobicContact CG1-CG 4.41Å; V65-Q69 WeakPolarHBondContact O-CB 3.33Å; V65-Q69 WeakPolarHBondContact O-CG 3.31Å; V65-Q69 PolarHBondContact O-N 3.29Å
66R95.2Very high93.4Very high176 Ų17663.3 Ų63.366%0.66432%0.324SS*.Hα-helixtrans-62.8-36.9176.9-68.5-70.5-176.6167.6-0.5113.3P62 H64 K70P62-R66 VanDerWaalsContact O-CG 3.26Å; P62-R66 WeakPolarHBondContact O-CG 3.35Å; P62-R66 PolarHBondContact O-N 3.3Å; H64-R66 VanDerWaalsContact C-N 3.33Å; H64-R66 PolarHBondContact O-N 3.46Å; R66-K70 PolarHBondContact O-N 3.38Å; R66-K70 VanDerWaalsContact O-N 3.12Å
67R96.1Very high93.2Very high86 Ų8668.6 Ų68.633%0.32536%0.357SS..Hα-helixtrans-67.4-43175-78.7-169.6-68145.6-11.5111.7A21 N22 L23 L63 H64 V65 K70 A71A21-R67 PolarHBondContact O-NH1 3.32Å; N22-R67 PolarHBondContact O-NH1 3.23Å; L23-R67 HydrophobicContact CD1-CB 4.18Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 3.3Å; H64-R67 PolarHBondContact CD2-NH2 3.02Å; H64-R67 PolarHBondContact NE2-NH2 3.32Å; H64-R67 PolarHBondContact O-N 3.43Å; H64-R67 VanDerWaalsContact O-N 3.08Å; V65-R67 PolarHBondContact O-N 3.4Å; R67-K70 PolarHBondContact O-N 3.46Å; R67-A71 PolarHBondContact O-N 3.21Å
68L95.3Very high92.9Very high0 Ų070.4 Ų70.40%036%0.357CS..Hα-helixtrans-62.8-52.2175.5-179.564.5000111.4I17 L18 L23 F30 F49 M53 M58 H64 V65 K70 A71 L72I17-L68 HydrophobicContact CG2-CD1 4.33Å; L18-L68 HydrophobicContact CD2-CD1 3.86Å; L23-L68 HydrophobicContact CD1-CB 3.77Å; F30-L68 HydrophobicContact CZ-CD2 3.82Å; F49-L68 HydrophobicContact CE2-CD2 4.38Å; F49-L68 HydrophobicContact CZ-CD2 4.18Å; M53-L68 HydrophobicContact CE-CD2 3.61Å; M53-L68 HydrophobicContact SD-CD2 3.69Å; M58-L68 HydrophobicContact CE-CD2 3.97Å; H64-L68 PolarHBondContact O-N 3.14Å; V65-L68 PolarHBondContact O-N 2.72Å; L68-K70 PolarHBondContact O-N 3.34Å; L68-A71 WeakPolarHBondContact O-CA 3.49Å; L68-A71 PolarHBondContact O-N 3.25Å; L68-L72 HydrophobicContact CD1-CD1 4.15Å; L68-L72 HydrophobicContact CD1-CG 4.12Å; L68-L72 HydrophobicContact CD2-CD1 4.39Å; L68-L72 HydrophobicContact CG-CD1 3.84Å; L68-L72 HydrophobicContact CG-CG 4.26Å; L68-L72 WeakPolarHBondContact O-CG 3.2Å; L68-L72 PolarHBondContact O-N 3.08Å
69Q94.3Very high92.1Very high54 Ų5473.6 Ų73.625%0.25238%0.378SS..Hα-helixtrans-54.9-36.9177.5-75.8-179.9-22.500112.6F49 V65 R73F49-Q69 HydrophobicContact CE1-CG 3.63Å; F49-Q69 HydrophobicContact CZ-CG 3.6Å; V65-Q69 HydrophobicContact CG1-CG 4.41Å; V65-Q69 WeakPolarHBondContact O-CB 3.33Å; V65-Q69 WeakPolarHBondContact O-CG 3.31Å; V65-Q69 PolarHBondContact O-N 3.29Å; Q69-R73 WeakPolarHBondContact O-CG 3.4Å; Q69-R73 PolarHBondContact O-N 3.08Å; Q69-R73 PolarHBondContact O-NH1 2.7Å
70K94.4Very high91.4Very high110 Ų11073 Ų7348%0.47838%0.376SS..Hα-helixtrans-67.8-46.3172.9-167.7-161.9176.5-57.90111.3R66 R67 L68 L72 R73 D74R66-K70 PolarHBondContact O-N 3.38Å; R66-K70 VanDerWaalsContact O-N 3.12Å; R67-K70 PolarHBondContact O-N 3.46Å; L68-K70 PolarHBondContact O-N 3.34Å; K70-L72 VanDerWaalsContact C-N 3.35Å; K70-L72 PolarHBondContact O-N 3.2Å; K70-R73 PolarHBondContact O-N 3.47Å; K70-D74 IonicContact NZ-OD1 2.95Å; K70-D74 PolarHBondContact NZ-OD1 3.38Å; K70-D74 IonicContact NZ-OD2 2.89Å; K70-D74 PolarHBondContact NZ-OD2 2.87Å; K70-D74 WeakPolarHBondContact O-CB 3.38Å; K70-D74 VanDerWaalsContact O-CG 3.3Å; K70-D74 PolarHBondContact O-N 3.23Å
71A93.9Very high90.5Very high4 Ų472.1 Ų72.13%0.03336%0.363CS..Hα-helixtrans-64.6-36.7-178.400000113I17 A21 R67 L68 D74 W75I17-A71 HydrophobicContact CG2-CB 3.88Å; A21-A71 HydrophobicContact CB-CB 3.82Å; R67-A71 PolarHBondContact O-N 3.21Å; L68-A71 WeakPolarHBondContact O-CA 3.49Å; L68-A71 PolarHBondContact O-N 3.25Å; A71-D74 PolarHBondContact O-N 2.97Å; A71-W75 WeakPolarHBondContact O-CB 3.49Å; A71-W75 PolarHBondContact O-N 2.75Å
72L93.6Very high89.4Confident10 Ų1067.7 Ų67.75%0.05234%0.344CS..Hα-helixtrans-64.7-48.2173.1-67.7170.1000111.4I17 V38 L41 F49 L68 K70 D74 W75 V76I17-L72 HydrophobicContact CD1-CD2 4.27Å; I17-L72 HydrophobicContact CG2-CD2 4.01Å; I17-L72 HydrophobicContact CG2-CG 4.44Å; V38-L72 HydrophobicContact CG1-CD2 4.26Å; L41-L72 HydrophobicContact CD2-CD1 4.16Å; L41-L72 HydrophobicContact CD2-CD2 4.17Å; L41-L72 HydrophobicContact CG-CD1 4.14Å; F49-L72 HydrophobicContact CE2-CD1 4.08Å; L68-L72 HydrophobicContact CD1-CD1 4.15Å; L68-L72 HydrophobicContact CD1-CG 4.12Å; L68-L72 HydrophobicContact CD2-CD1 4.39Å; L68-L72 HydrophobicContact CG-CD1 3.84Å; L68-L72 HydrophobicContact CG-CG 4.26Å; L68-L72 WeakPolarHBondContact O-CG 3.2Å; L68-L72 PolarHBondContact O-N 3.08Å; K70-L72 VanDerWaalsContact C-N 3.35Å; K70-L72 PolarHBondContact O-N 3.2Å; L72-D74 PolarHBondContact O-N 2.96Å; L72-W75 WeakPolarHBondContact O-CA 3.47Å; L72-W75 WeakPolarHBondContact O-CB 3.47Å; L72-W75 PolarHBondContact O-N 3.13Å; L72-V76 PolarHBondContact O-N 3.17Å
73R92.1Very high88.3Confident146 Ų14669.6 Ų69.655%0.55135%0.35SS*.Hα-helixtrans-60.8-41.3174.3-74.3-169.5-60.5-88.3-2.5113.1Q69 K70 W75 T77Q69-R73 WeakPolarHBondContact O-CG 3.4Å; Q69-R73 PolarHBondContact O-N 3.08Å; Q69-R73 PolarHBondContact O-NH1 2.7Å; K70-R73 PolarHBondContact O-N 3.47Å; R73-W75 PolarHBondContact O-N 2.67Å; R73-T77 WeakPolarHBondContact O-CB 3.28Å; R73-T77 PolarHBondContact O-N 3.11Å; R73-T77 PolarHBondContact O-OG1 3.04Å
74D90.8Very high86.8Confident42 Ų4269.4 Ų69.423%0.22535%0.345CS..Hα-helixtrans-59.2-37.2173.5-75.610.1000111.3K20 K70 A71 L72 N78 F82K20-D74 IonicContact NZ-OD2 3.13Å; K20-D74 PolarHBondContact NZ-OD2 3.27Å; K70-D74 IonicContact NZ-OD1 2.95Å; K70-D74 PolarHBondContact NZ-OD1 3.38Å; K70-D74 IonicContact NZ-OD2 2.89Å; K70-D74 PolarHBondContact NZ-OD2 2.87Å; K70-D74 WeakPolarHBondContact O-CB 3.38Å; K70-D74 VanDerWaalsContact O-CG 3.3Å; K70-D74 PolarHBondContact O-N 3.23Å; A71-D74 PolarHBondContact O-N 2.97Å; L72-D74 PolarHBondContact O-N 2.96Å; D74-N78 PolarHBondContact O-N 2.96Å; D74-N78 VanDerWaalsContact O-N 3.08Å; D74-F82 HydrophobicContact CB-CE2 4.31Å; D74-F82 HydrophobicContact CB-CZ 4.09Å
75W90.6Very high84.8Confident39 Ų3972.8 Ų72.815%0.14837%0.371CS..Hα-helixtrans-72-48179.4179.987.5000112.3I17 V38 A71 L72 R73 T77 N78 P79 F82I17-W75 HydrophobicContact CD1-CB 4.08Å; I17-W75 HydrophobicContact CD1-CD2 3.97Å; I17-W75 HydrophobicContact CD1-CG 3.65Å; I17-W75 HydrophobicContact CG1-CB 4.2Å; I17-W75 HydrophobicContact CG1-CG 4.06Å; V38-W75 HydrophobicContact CB-CH2 4.19Å; V38-W75 HydrophobicContact CB-CZ2 4.38Å; V38-W75 HydrophobicContact CB-CZ3 4.46Å; V38-W75 HydrophobicContact CG1-CD2 3.85Å; V38-W75 HydrophobicContact CG1-CE3 3.64Å; V38-W75 HydrophobicContact CG1-CH2 3.68Å; V38-W75 HydrophobicContact CG1-CZ2 3.87Å; V38-W75 HydrophobicContact CG1-CZ3 3.57Å; A71-W75 WeakPolarHBondContact O-CB 3.49Å; A71-W75 PolarHBondContact O-N 2.75Å; L72-W75 WeakPolarHBondContact O-CA 3.47Å; L72-W75 WeakPolarHBondContact O-CB 3.47Å; L72-W75 PolarHBondContact O-N 3.13Å; R73-W75 PolarHBondContact O-N 2.67Å; W75-T77 PolarHBondContact O-N 3.2Å; W75-N78 CarbonylContact O-C 3.19Å; W75-N78 PolarHBondContact O-N 3.22Å; W75-P79 WeakPolarHBondContact O-CA 3.33Å; W75-P79 VanDerWaalsContact O-CD 3.25Å; W75-P79 WeakPolarHBondContact O-CD 3.34Å; W75-F82 HydrophobicContact CB-CD2 4.13Å; W75-F82 HydrophobicContact CB-CE1 4.41Å; W75-F82 HydrophobicContact CB-CE2 3.66Å; W75-F82 HydrophobicContact CB-CZ 3.79Å; W75-F82 AromaticContact CD1-CD2 3.64Å; W75-F82 AromaticContact CD1-CG 3.73Å; W75-F82 HydrophobicContact CG-CD2 4.27Å; W75-F82 HydrophobicContact CG-CE2 4.3Å
76V89.3Confident82.7Confident91 Ų9175 Ų7555%0.55238%0.382SS*.Hα-helixtrans-58.7-39.1174.61760000111.2C42 L72C42-V76 HydrophobicContact CB-CG2 3.99Å; L72-V76 PolarHBondContact O-N 3.17Å
77T89.3Confident80.1Confident119 Ų11972.7 Ų72.773%0.7339%0.387SS*.Hα-helixtrans-72.2-34.1-179.5-53.90000112.6R73 W75R73-T77 WeakPolarHBondContact O-CB 3.28Å; R73-T77 PolarHBondContact O-N 3.11Å; R73-T77 PolarHBondContact O-OG1 3.04Å; W75-T77 PolarHBondContact O-N 3.2Å
78N84.9Confident77.3Confident77 Ų7773 Ų7341%0.41240%0.402SS..  trans-156.288.6178.1-170.6-22.4000111.5D74 W75 G80 L81D74-N78 PolarHBondContact O-N 2.96Å; D74-N78 VanDerWaalsContact O-N 3.08Å; W75-N78 CarbonylContact O-C 3.19Å; W75-N78 PolarHBondContact O-N 3.22Å; N78-G80 PolarHBondContact O-N 2.92Å; N78-G80 PolarHBondContact OD1-N 3Å; N78-L81 HydrophobicContact CB-CD1 3.86Å; N78-L81 HydrophobicContact CB-CG 4.02Å; N78-L81 PolarHBondContact O-N 3.08Å; N78-L81 PolarHBondContact OD1-N 3.4Å
79P79.3Confident74.4Confident66 Ų6678 Ų7843%0.42943%0.429SS..G310 helixtrans-68.5-23.8-17825.3-33.1000112.3W75 L81 F82W75-P79 WeakPolarHBondContact O-CA 3.33Å; W75-P79 VanDerWaalsContact O-CD 3.25Å; W75-P79 WeakPolarHBondContact O-CD 3.34Å; P79-L81 PolarHBondContact O-N 3.2Å; P79-F82 PolarHBondContact O-N 3.18Å; P79-F82 VanDerWaalsContact O-N 3.08Å
80G76.8Confident71.8Confident36 Ų3680 Ų8037%0.37145%0.446SS..G310 helixtrans-59.7-27.2176.600000113.9N78 F82 N83N78-G80 PolarHBondContact O-N 2.92Å; N78-G80 PolarHBondContact OD1-N 3Å; G80-F82 PolarHBondContact O-N 3.41Å; G80-N83 PolarHBondContact O-N 2.69Å
81L71.8Confident69.3Low81 Ų8182.2 Ų82.242%0.42447%0.469SS..G310 helixtrans-64.3-18.9176-67.2176.3000113.9N78 P79N78-L81 HydrophobicContact CB-CD1 3.86Å; N78-L81 HydrophobicContact CB-CG 4.02Å; N78-L81 PolarHBondContact O-N 3.08Å; N78-L81 PolarHBondContact OD1-N 3.4Å; P79-L81 PolarHBondContact O-N 3.2Å
82F72.8Confident66.6Low7 Ų786.5 Ų86.53%0.03150%0.498CS..G310 helixtrans-100.2-9.5-176-65-104.1000112.8R16 I17 K20 D74 W75 P79 G80R16-F82 HydrophobicContact CB-CB 4.22Å; R16-F82 HydrophobicContact CB-CD1 4.35Å; R16-F82 WeakPolarHBondContact CG-O 3.27Å; I17-F82 HydrophobicContact CB-CE1 4.32Å; I17-F82 HydrophobicContact CG1-CD1 3.84Å; I17-F82 HydrophobicContact CG1-CE1 3.79Å; K20-F82 HydrophobicContact CB-CD1 4.37Å; K20-F82 HydrophobicContact CB-CE1 3.86Å; K20-F82 HydrophobicContact CD-CD1 4.08Å; K20-F82 HydrophobicContact CD-CE1 3.27Å; K20-F82 HydrophobicContact CD-CE2 4.16Å; K20-F82 HydrophobicContact CD-CZ 3.34Å; K20-F82 HydrophobicContact CG-CE1 4.2Å; D74-F82 HydrophobicContact CB-CE2 4.31Å; D74-F82 HydrophobicContact CB-CZ 4.09Å; W75-F82 HydrophobicContact CB-CD2 4.13Å; W75-F82 HydrophobicContact CB-CE1 4.41Å; W75-F82 HydrophobicContact CB-CE2 3.66Å; W75-F82 HydrophobicContact CB-CZ 3.79Å; W75-F82 AromaticContact CD1-CD2 3.64Å; W75-F82 AromaticContact CD1-CG 3.73Å; W75-F82 HydrophobicContact CG-CD2 4.27Å; W75-F82 HydrophobicContact CG-CE2 4.3Å; P79-F82 PolarHBondContact O-N 3.18Å; P79-F82 VanDerWaalsContact O-N 3.08Å; G80-F82 PolarHBondContact O-N 3.41Å
83N68.3Low63.8Low131 Ų13191.1 Ų91.170%0.70153%0.531SS*.SBendtrans-85.4-12.3175.8-70.2-19.6000113.4G80G80-N83 PolarHBondContact O-N 2.69Å
84Q64.4Low61.2Low129 Ų12991.7 Ų91.760%0.60354%0.544SS*.SBendtrans-70.9140.4176.4-66.2-167.9-4.500111.2L86Q84-L86 PolarHBondContact O-N 3.27Å
85P53.2Low59Low111 Ų11194.7 Ų94.772%0.72157%0.566SS**  trans-60.8109.4170.2-19.531.6000109.5T87P85-T87 VanDerWaalsContact C-N 3.34Å; P85-T87 PolarHBondContact O-N 2.9Å
86L50.1Low56.6Low61 Ų61100.6 Ų100.632%0.31960%0.598SS.*  trans-67.294.4176.9-69177.3000109.5Q19 Q84Q19-L86 HydrophobicContact CB-CD1 4.22Å; Q19-L86 HydrophobicContact CG-CD1 3.7Å; Q84-L86 PolarHBondContact O-N 3.27Å
87T40.9Very low53.9Low126 Ų126106.5 Ų106.577%0.77361%0.612SS**PPolyproline II helixtrans-55137.4162.653.30000108.3P85 L89P85-T87 VanDerWaalsContact C-N 3.34Å; P85-T87 PolarHBondContact O-N 2.9Å; T87-L89 PolarHBondContact O-N 3.15Å
88S36.4Very low51.3Low92 Ų92110.6 Ų110.664%0.64362%0.62SS**PPolyproline II helixtrans-47.3125.6-163.535.80000114
89L35.8Very low48.9Very low107 Ų107114.7 Ų114.756%0.5664%0.641SS**PPolyproline II helixtrans-63.7135.3173-69.4173.8000110.2T87T87-L89 PolarHBondContact O-N 3.15Å
90P39.9Very low46.8Very low95 Ų95117.3 Ų117.362%0.61766%0.658SS**PPolyproline II helixtrans-72.3135.4175.229.4-33.7000111.1S92P90-S92 PolarHBondContact O-N 2.88Å
91V40.9Very low44.7Very low156 Ų156125.2 Ų125.295%0.94569%0.685SS**  trans-79.398.4169.1173.40000109.5
92S37.8Very low42.7Very low94 Ų94124.8 Ų124.866%0.65770%0.701SS**  trans-156.6136.7157570000107.2P90P90-S92 PolarHBondContact O-N 2.88Å
93S35.1Very low40.6Very low107 Ų107129.8 Ų129.875%0.74874%0.736SS**  cis-154.114827.4-51.80000110.9
94I37.5Very low39.6Very low158 Ų158128.9 Ų128.981%0.8174%0.738SS**  trans-124.5122.5156.4-60.4177.9000107.2I96I94-I96 PolarHBondContact O-N 3.34Å
95P44.1Very low38.1Very low105 Ų105127.7 Ų127.768%0.68274%0.739SS**  trans-79.1118.9177.330.5-31.7000110.7Y97P95-Y97 PolarHBondContact O-N 3.37Å
96I39.8Very low37.1Very low163 Ų163132.8 Ų132.884%0.83674%0.744SS**  trans-78.5114169.1-61.2177.1000108I94I94-I96 PolarHBondContact O-N 3.34Å
97Y33.7Very low36.5Very low215 Ų215137.5 Ų137.584%0.84377%0.769SS**PPolyproline II helixtrans-69.8143.8168.2-98.6-99.1000110.4P95P95-Y97 PolarHBondContact O-N 3.37Å
98K34.3Very low35.9Very low205 Ų205135.3 Ų135.389%0.89177%0.771SS**PPolyproline II helixtrans-64.6134.9-169-64.2-163.4174.4-164.30113.4
99L33.4Very low35.6Very low164 Ų164138.7 Ų138.786%0.85978%0.781SS**PPolyproline II helixtrans-90.2141.6154.4-136.382.6000109
100P34.8Very low35.2Very low121 Ų121138.4 Ų138.479%0.78679%0.787SS**PPolyproline II helixtrans-73.1155.2166.4-15.131.2000112
101E32.8Very low34.8Very low201 Ų201139.5 Ų139.594%0.93980%0.796SS**PPolyproline II helixtrans-88.8134-173-164.9161.9173.800111.9
102G31.1Very low34Very low73 Ų73139.8 Ų139.875%0.75379%0.792SS**  trans174.275.1-173.700000114
103S27.7Very low33.3Very low111 Ų111139.8 Ų139.878%0.77679%0.792SS**  trans-69.9172.2171.8-49.30000112.5
104P47.3Very low32.8Very low113 Ų113144.4 Ų144.473%0.73480%0.795SS**  cis-114.4-171.9-10.132.1-11000110.7
105T33.1Very low32.2Very low103 Ų103143.5 Ų143.563%0.63279%0.787SS**  178.1158.658-23.20000111
106W32.5Very low31.5Very low218 Ų218147.9 Ų147.983%0.82679%0.79SS**  trans67.7106.4160.2-61.2117.4000122.2
107L36.7Very low30.8Very low161 Ų161144.4 Ų144.484%0.84378%0.78SS**  trans-1.1148.1136.8-50173.8000119.8
108G28.5Very low30.4Very low79 Ų79139 Ų13981%0.81477%0.774SS**  trans161140.615200000115.4
109I30.6Very low30Very low164 Ų164134.8 Ų134.884%0.84177%0.77SS**  trans-110.7139.6-179.2-71.4172.5000110.7
110S27.4Very low29.6Very low100 Ų100131.3 Ų131.370%0.69976%0.76SS**  trans59.6118.4158.5-66.70000122.2
111C31Very low29.4Very low119 Ų119136.6 Ų136.680%0.80476%0.764SS**  36.2113.7125.7-48.80000119.8
112N23.8Very low29.2Very low161 Ų161135.4 Ų135.486%0.86176%0.758SS**  -168.7143106.2-122.8-9.6000116.1
113S24Very low29.7Very low94 Ų94136.5 Ų136.566%0.65775%0.753SS**  trans84.5139.9135.6-142.70000123.8
114Y23.9Very low29.7Very low204 Ų204138.3 Ų138.380%0.875%0.748SS**  trans45.5125.9160.479.4-77.9000126.2
115E25.9Very low29Very low140 Ų140139.5 Ų139.565%0.65475%0.748SS**  trans57.3132.1135.5-74.9-154.1105.800125.3
116R29.2Very low28.9Very low196 Ų196144.4 Ų144.474%0.7476%0.76SS**  trans99.1104.3131.1-98.1178.6-136.7-121.9-9.2122.8
117S25.1Very low29.1Very low90 Ų90141.3 Ų141.363%0.62976%0.758SS**  68.8107.4120.264.80000121.9
118S26.2Very low28.9Very low103 Ų103139.9 Ų139.972%0.7276%0.759SS**  88.3143.3113.976.30000121.6
119S24.3Very low28.9Very low116 Ų116145.2 Ų145.281%0.81176%0.759SS**  trans73.6149.3158.392.50000115.2
120S25.8Very low28.8Very low91 Ų91143 Ų14364%0.63676%0.757SS**  cis-166.6171.8-11.6-162.80000108.8
121R30Very low28.8Very low231 Ų231143.3 Ų143.387%0.87277%0.766SS**  trans75.1100.6155.2-68.8147-165.3-136.30.1120.1
122E29.6Very low28.8Very low176 Ų176142.2 Ų142.282%0.82277%0.765SS**  -34.2161.3124.7-99.5-166.5118.200114.2
123P41Very low29.1Very low97 Ų97141.2 Ų141.263%0.6377%0.765SS**  cis-158.317948.546-25.2000120.7
124H28.7Very low29.3Very low148 Ų148142.4 Ų142.469%0.68577%0.769SS**  trans83.9109.9141.8-70.6-37.4000124.3
125L31.5Very low29.5Very low138 Ų138138.6 Ų138.672%0.72377%0.77SS**  65.4116.9123.1-57.7171.4000121
126K31.1Very low29.6Very low206 Ų206137.9 Ų137.990%0.89678%0.775SS**  -175.1145.597.5-93.7159.6-169.2176.70112.5
127I36.4Very low29.6Very low154 Ų154137.8 Ų137.879%0.7978%0.783SS**  trans-98.2155.6175.6-53.9159.4000108.3
128P32.5Very low29.6Very low130 Ų130138.8 Ų138.884%0.84479%0.79SS**  -136.2166.6119.732.5-18.5000114
129K29.3Very low29.7Very low191 Ų191142.1 Ų142.183%0.8380%0.799SS**  trans-124.5156.2-171.3-171.4170.2-179.3172.40111.1
130C29.1Very low29.8Very low118 Ų118139.6 Ų139.680%0.79779%0.791SS**  trans-25.5147.9178.1-43.30000119.8
131A27.3Very low30Very low107 Ų107145.2 Ų145.288%0.88481%0.807SS**  trans-162.4158139.700000111.9
132A30.9Very low29.8Very low95 Ų95137.8 Ų137.879%0.78580%0.803SS**  trans-130.5151172.800000110
133T28.5Very low29.8Very low140 Ų140139.2 Ų139.286%0.85981%0.806SS**  trans-165157.5165.5-96.40000114.9
134T29Very low29.2Very low120 Ų120139.4 Ų139.474%0.73681%0.81SS**  trans-70.8171.5-17074.20000116.6
135C27.6Very low29Very low123 Ų123140.1 Ų140.183%0.83181%0.814SS**  trans-156.1160139.661.30000111.9
136V28.7Very low28.9Very low126 Ų126139.8 Ų139.876%0.76482%0.817SS**  trans-145.8144.9-173.1-84.30000113.2
137Q29.9Very low28.7Very low194 Ų194133.5 Ų133.591%0.90781%0.811SS**  trans50.6133.5149.6-63.8-178.46.700124.5
138S24Very low28.3Very low111 Ų111131.6 Ų131.678%0.77681%0.811SS**  trans-173.9127.1138-1460000107.9
139L29.1Very low28Very low173 Ų173133.4 Ų133.491%0.90681%0.813SS**  60.7129.865.8-157.774.9000114.5
140G26.6Very low27.9Very low62 Ų62128.3 Ų128.364%0.63981%0.806SS**  cis158.8141.9-8.500000112.7
141Q29.4Very low27.9Very low209 Ų209129.5 Ų129.598%0.97780%0.804SS**  trans178.3146172.5-104.1165.92.200110
142G26.4Very low27.9Very low76 Ų76132.7 Ų132.778%0.78480%0.801SS**  cis176.9145.2-14.900000114.8
143K29.6Very low27.6Very low205 Ų205133.1 Ų133.189%0.89180%0.797SS**  trans71.1125.9157.3-85.4-174.3170-175.50125.6
144S27.5Very low27.5Very low101 Ų101132.4 Ų132.471%0.70679%0.793SS**  trans61154.6138.5-66.80000122.7
145E25.7Very low27.5Very low163 Ų163131.5 Ų131.576%0.76279%0.791SS**  cis-171.1160-32.8-156.9-174.4119.500109.2
146V29.1Very low27.4Very low132 Ų132132.6 Ų132.680%0.879%0.789SS**  trans71.9131.1164.7-169.80000119
147G26.8Very low27.2Very low73 Ų73130.1 Ų130.175%0.75378%0.777SS**  trans13887.9153.900000116
148S26.9Very low27.3Very low115 Ų115131.3 Ų131.380%0.80477%0.773SS**  trans-84137.9171.3-64.40000112.1
149L27.1Very low27.4Very low168 Ų168134.5 Ų134.588%0.8878%0.781SS**  163.9155.9112.9-87.1173.4000113.7
150A26.4Very low27.3Very low83 Ų83136.8 Ų136.869%0.68678%0.777SS**  trans85.1107.4150.500000121.8
151L28.7Very low27.3Very low144 Ų144142 Ų14275%0.75479%0.785SS**  trans90.3101130.1-63.4170.9000122.4
152Q28.1Very low27.1Very low174 Ų174134.9 Ų134.981%0.81377%0.768SS**  72.399.4127.6-64.9-176.321.700121.3
153S24.4Very low27.2Very low103 Ų103138.9 Ų138.972%0.7277%0.766SS**  trans-35.6139.6147.2-152.20000113.3
154V26.4Very low27Very low125 Ų125137 Ų13776%0.75876%0.76SS**  56126.256.61700000111.3
155S28.3Very low27Very low101 Ų101136.6 Ų136.671%0.70676%0.763SS**  cis-165.1168.8-12.5-86.10000106.4
156D26.1Very low27.1Very low147 Ų147134 Ų13479%0.78676%0.758SS**  159.7155.1113.6-139.5-66.4000114.2
157S25.4Very low27.1Very low73 Ų73135.1 Ų135.151%0.5176%0.755SS.*  trans76.7110.9146.3-810000123.1
158R30.5Very low27.3Very low220 Ų220136.5 Ų136.583%0.8375%0.752SS**  trans63129.4138.3-76.4179.2-78.5-140.2-9.7120.3
159L27.1Very low27.4Very low177 Ų177138.4 Ų138.493%0.92775%0.749SS**  trans-153.9164140.4-104164.2000110.1
160W27Very low27.7Very low221 Ų221137.5 Ų137.584%0.83774%0.74SS**  trans-98.6174.2-165.8-78.584.7000114.6
161Q27Very low27.9Very low171 Ų171138.8 Ų138.880%0.79974%0.744SS**  trans89.2130.8146.9-133.677.715.500119.5
162G24.2Very low28.1Very low60 Ų60139.9 Ų139.962%0.61975%0.749SS**  11682.213000000120.6
163H28.3Very low28.2Very low160 Ų160136.9 Ų136.974%0.74175%0.747SS**  58131.4122.1-85.1-96.9000124.3
164H26.3Very low28.9Very low167 Ų167138.4 Ų138.477%0.77376%0.755SS**  trans79.2125.8151.6-61.9-58.4000121.9
165A27.3Very low29.2Very low92 Ų92136.9 Ų136.976%0.7676%0.755SS**  trans44.7142.2143.100000119.6
166T28.1Very low29.2Very low107 Ų107139.4 Ų139.466%0.65676%0.761SS**  -162.8174.453.539.20000113.3
167E28.2Very low29.6Very low157 Ų157140 Ų14073%0.73476%0.763SS**  trans47.8116.5144.276.7-154.5109.500120.2
168S31.9Very low30.2Very low101 Ų101139.9 Ų139.971%0.70677%0.774SS**  114.4145.278.161.30000110.3
169E29.2Very low30.3Very low156 Ų156135.1 Ų135.173%0.72977%0.774SS**  cis-148.2160.5-13.2-77.8-129.4107.700110.4
170H32.9Very low30.8Very low149 Ų149132.7 Ų132.769%0.6977%0.769SS**  trans43.8122.4149.1-65-45.6000123.6
171S29.9Very low30.9Very low110 Ų110126.8 Ų126.877%0.76977%0.767SS**  -166.8118.6100.3-83.20000115.6
172L34.2Very low31.3Very low167 Ų167123.7 Ų123.787%0.87477%0.765SS**  trans64113.2147.2-50.1-178.8000121.2
173S30.5Very low31.9Very low110 Ų110126.2 Ų126.277%0.76977%0.77SS**  trans-88.5173.4158.2-50.50000111.5
174P38.5Very low32.5Very low136 Ų136127.5 Ų127.588%0.88377%0.773SS**  -125.8151.597.313.84.6000112.8
175A33.5Very low33.1Very low92 Ų92129.1 Ų129.176%0.7678%0.781SS**  trans-85.6154.4-175.200000112.7
176D28.3Very low33.6Very low154 Ų154128.4 Ų128.482%0.82477%0.771SS**  trans-139162.8142.1-145.5-20.5000110.2
177L34.4Very low34.5Very low160 Ų160128.1 Ų128.184%0.83877%0.773SS**  trans-92143.9-145.4-66.4158.1000115.2
178G37.9Very low36Very low71 Ų71127.5 Ų127.573%0.73277%0.77SS**  trans82.593.2147.200000117.6
179S31.7Very low38Very low119 Ų119126.1 Ų126.183%0.83277%0.765SS**  trans-149.4135.7151.1-78.30000109.8
180P37.1Very low40.6Very low127 Ų127119.9 Ų119.983%0.82574%0.736SS**PPolyproline II helixtrans-70.1161.8-179.530.3-34.8000111.6
181A29.7Very low43.2Very low96 Ų96116.5 Ų116.579%0.79372%0.723SS**PPolyproline II helixtrans-52.7142.5-171.700000114.3
182S36Very low46Very low107 Ų107114.6 Ų114.675%0.74871%0.714SS**PPolyproline II helixtrans-64.9132169.1-52.90000111.2K184S182-K184 PolarHBondContact O-N 3.38Å
183P37.2Very low48.5Very low112 Ų112109.1 Ų109.173%0.72769%0.693SS**  trans-77.4100.3154.87.39.9000107.7
184K40.7Very low51.2Low187 Ų187104 Ų10481%0.81366%0.658SS**  trans-85.1148.4151.5-76.4-176.8173.8179.20107.1S182S182-K184 PolarHBondContact O-N 3.38Å
185E38.5Very low53.8Low201 Ų20198.8 Ų98.894%0.93963%0.626SS**SBendtrans77.261.3-174.4-50.8-173116.300116.6
186S37.5Very low56.5Low78 Ų78100.5 Ų100.555%0.54562%0.622SS.*  trans-154.54.1160.763.40000117E188 A189S186-E188 PolarHBondContact O-N 3Å; S186-A189 PolarHBondContact O-N 3.24Å
187S46.4Very low59.6Low100 Ų10093.8 Ų93.870%0.69959%0.587SS**THydrogen-bonded Turntrans-71.5-2.7-169.5-167.10000116.2
188E61.1Low62.4Low145 Ų14586.2 Ų86.268%0.67855%0.547SS*.THydrogen-bonded Turntrans-116.5-1.3-179.6-61.6-174.3161.400113S186 L273S186-E188 PolarHBondContact O-N 3Å; E188-L273 WeakPolarHBondContact O-CD2 3.05Å
189A73.1Confident65.1Low72 Ų7284.2 Ų84.260%0.59552%0.524SS*.SBendtrans-87.7146176.600000111.3S186S186-A189 PolarHBondContact O-N 3.24Å
190L83.4Confident68Low24 Ų2482.2 Ų82.213%0.12650%0.501CS..PPolyproline II helixtrans-71.3144.2171.1-158.475.7000109.9A194 A195 V198 L270 L273 T274 E277L190-A194 HydrophobicContact CD2-CB 3.84Å; L190-A194 HydrophobicContact CG-CB 3.89Å; L190-A195 HydrophobicContact CD2-CB 4.4Å; L190-V198 HydrophobicContact CD2-CG2 3.95Å; L190-L270 HydrophobicContact CD1-CD1 3.64Å; L190-L273 HydrophobicContact CD1-CB 3.77Å; L190-T274 WeakPolarHBondContact CD1-OG1 3.23Å; L190-E277 HydrophobicContact CD2-CB 4.43Å; L190-E277 HydrophobicContact CD2-CG 4.4Å
191D88Confident70.7Confident79 Ų7976.1 Ų76.142%0.42246%0.462SS..PPolyproline II helixtrans-54.9142.3173.1168.862.1000111.6A193 A194 A195 Y311D191-A193 VanDerWaalsContact C-N 3.31Å; D191-A193 PolarHBondContact O-N 2.65Å; D191-A193 WeakPolarHBondContact OD2-CB 3.34Å; D191-A193 PolarHBondContact OD2-N 2.83Å; D191-A193 VanDerWaalsContact OD2-N 3.11Å; D191-A194 HydrophobicContact CB-CB 4.32Å; D191-A194 CarbonylContact O-C 3.56Å; D191-A194 WeakPolarHBondContact O-CA 3.11Å; D191-A194 WeakPolarHBondContact O-CB 3.34Å; D191-A194 PolarHBondContact O-N 3.3Å; D191-A194 PolarHBondContact OD2-N 3.33Å; D191-A195 PolarHBondContact O-N 2.6Å; D191-Y311 PolarHBondContact OD2-OH 2.98Å
192A88.1Confident73.8Confident70 Ų7071.6 Ų71.658%0.57942%0.424SS*.Hα-helixtrans-60.1-37.1-17300000113A195 L196A192-A195 PolarHBondContact O-N 3.3Å; A192-L196 WeakPolarHBondContact O-CG 3.43Å; A192-L196 PolarHBondContact O-N 3.26Å
193A86.5Confident76.5Confident51 Ų5171.9 Ų71.942%0.42141%0.414SS..Hα-helixtrans-73.3-31177.700000112.1D191 S197 Y311D191-A193 VanDerWaalsContact C-N 3.31Å; D191-A193 PolarHBondContact O-N 2.65Å; D191-A193 WeakPolarHBondContact OD2-CB 3.34Å; D191-A193 PolarHBondContact OD2-N 2.83Å; D191-A193 VanDerWaalsContact OD2-N 3.11Å; A193-S197 WeakPolarHBondContact O-CB 3.06Å; A193-S197 PolarHBondContact O-N 3.13Å; A193-S197 PolarHBondContact O-OG 3.49Å; A193-Y311 HydrophobicContact CB-CE2 4.14Å
194A88.4Confident79.2Confident4 Ų471.4 Ų71.43%0.03340%0.397CS..Hα-helixtrans-70.1-41.9170.100000111.7L190 D191 S197 V198 Y311L190-A194 HydrophobicContact CD2-CB 3.84Å; L190-A194 HydrophobicContact CG-CB 3.89Å; D191-A194 HydrophobicContact CB-CB 4.32Å; D191-A194 CarbonylContact O-C 3.56Å; D191-A194 WeakPolarHBondContact O-CA 3.11Å; D191-A194 WeakPolarHBondContact O-CB 3.34Å; D191-A194 PolarHBondContact O-N 3.3Å; D191-A194 PolarHBondContact OD2-N 3.33Å; A194-S197 CarbonylContact O-C 3.59Å; A194-S197 WeakPolarHBondContact O-CA 3.15Å; A194-S197 WeakPolarHBondContact O-CB 3.4Å; A194-S197 PolarHBondContact O-N 3.03Å; A194-S197 VanDerWaalsContact O-N 3.09Å; A194-V198 WeakPolarHBondContact O-CG2 3.46Å; A194-V198 PolarHBondContact O-N 3.09Å; A194-Y311 HydrophobicContact CB-CD2 4.15Å; A194-Y311 HydrophobicContact CB-CE2 3.97Å
195A91.3Very high81.5Confident26 Ų2663.2 Ų63.222%0.21536%0.362CS..Hα-helixtrans-62.7-43.4177.400000112.4L190 D191 A192 S197 V198 A199L190-A195 HydrophobicContact CD2-CB 4.4Å; D191-A195 PolarHBondContact O-N 2.6Å; A192-A195 PolarHBondContact O-N 3.3Å; A195-S197 VanDerWaalsContact C-N 3.27Å; A195-S197 PolarHBondContact O-N 3.3Å; A195-V198 WeakPolarHBondContact O-CB 3.14Å; A195-V198 PolarHBondContact O-N 3.35Å; A195-A199 PolarHBondContact O-N 3.32Å
196L91.4Very high83.8Confident128 Ų12855 Ų5567%0.6733%0.328SS*.Hα-helixtrans-60.6-36.7171.3-72.6171.6000112.3A192 A199 E200A192-L196 WeakPolarHBondContact O-CG 3.43Å; A192-L196 PolarHBondContact O-N 3.26Å; L196-A199 PolarHBondContact O-N 3.46Å; L196-E200 PolarHBondContact O-N 2.85Å
197S92.1Very high86.2Confident13 Ų1356.4 Ų56.49%0.09134%0.336CS..Hα-helixtrans-68.5-35.6175.9-58.80000112.1A193 A194 A195 C201A193-S197 WeakPolarHBondContact O-CB 3.06Å; A193-S197 PolarHBondContact O-N 3.13Å; A193-S197 PolarHBondContact O-OG 3.49Å; A194-S197 CarbonylContact O-C 3.59Å; A194-S197 WeakPolarHBondContact O-CA 3.15Å; A194-S197 WeakPolarHBondContact O-CB 3.4Å; A194-S197 PolarHBondContact O-N 3.03Å; A194-S197 VanDerWaalsContact O-N 3.09Å; A195-S197 VanDerWaalsContact C-N 3.27Å; A195-S197 PolarHBondContact O-N 3.3Å; S197-C201 PolarHBondContact O-N 2.96Å; S197-C201 PolarHBondContact O-SG 3.22Å
198V94.7Very high88Confident0 Ų056.9 Ų56.90%034%0.335CS..Hα-helixtrans-62.5-49.7170.9177.50000109.9L190 A194 A195 E200 C201 V202 T274 E277 A278 V303 V307L190-V198 HydrophobicContact CD2-CG2 3.95Å; A194-V198 WeakPolarHBondContact O-CG2 3.46Å; A194-V198 PolarHBondContact O-N 3.09Å; A195-V198 WeakPolarHBondContact O-CB 3.14Å; A195-V198 PolarHBondContact O-N 3.35Å; V198-E200 PolarHBondContact O-N 3.38Å; V198-C201 WeakPolarHBondContact O-CA 3.49Å; V198-C201 WeakPolarHBondContact O-CB 3.43Å; V198-C201 PolarHBondContact O-N 3.1Å; V198-V202 HydrophobicContact CG1-CG2 4.16Å; V198-V202 WeakPolarHBondContact O-CG2 3.16Å; V198-V202 PolarHBondContact O-N 3.15Å; V198-T274 HydrophobicContact CG2-CG2 3.89Å; V198-E277 HydrophobicContact CB-CG 4.5Å; V198-E277 HydrophobicContact CG1-CG 4.21Å; V198-A278 HydrophobicContact CG1-CB 3.86Å; V198-V303 HydrophobicContact CG1-CG1 4.01Å; V198-V307 HydrophobicContact CB-CG2 4.36Å; V198-V307 HydrophobicContact CG2-CB 4.5Å; V198-V307 HydrophobicContact CG2-CG1 4.1Å; V198-V307 HydrophobicContact CG2-CG2 3.9Å
199A93.9Very high88.9Confident30 Ų3051.6 Ų51.625%0.24831%0.311CS..Hα-helixtrans-57-47.6178.800000112.4A195 L196 C201 V202 E203A195-A199 PolarHBondContact O-N 3.32Å; L196-A199 PolarHBondContact O-N 3.46Å; A199-C201 PolarHBondContact O-N 3.43Å; A199-V202 PolarHBondContact O-N 3.19Å; A199-E203 VanDerWaalsContact O-CB 3.28Å; A199-E203 WeakPolarHBondContact O-CB 3.48Å; A199-E203 WeakPolarHBondContact O-CG 3.41Å; A199-E203 PolarHBondContact O-N 3.04Å
200E93.1Very high89.2Confident76 Ų7652.2 Ų52.236%0.35531%0.309SS..Hα-helixtrans-57.5-31.4175.3-165.5-144.4103.100112.7L196 V198 R204 K310 R314L196-E200 PolarHBondContact O-N 2.85Å; V198-E200 PolarHBondContact O-N 3.38Å; E200-R204 WeakPolarHBondContact O-CB 3.35Å; E200-R204 PolarHBondContact O-N 2.99Å; E200-R204 PolarHBondContact O-NH2 2.88Å; E200-R204 IonicContact OE1-NH2 3.8Å; E200-R204 PolarHBondContact OE1-NH2 3.35Å; E200-R204 VanDerWaalsContact OE1-NH2 3.07Å; E200-K310 IonicContact OE1-NZ 2.83Å; E200-K310 PolarHBondContact OE1-NZ 3.1Å; E200-R314 IonicContact OE2-NH2 2.69Å
201C93.5Very high88.9Confident0 Ų061.2 Ų61.20%035%0.347CS..Hα-helixtrans-80.3-42.3177.4-62.60000112.7S197 V198 A199 R204 M205 V303 E306 V307S197-C201 PolarHBondContact O-N 2.96Å; S197-C201 PolarHBondContact O-SG 3.22Å; V198-C201 WeakPolarHBondContact O-CA 3.49Å; V198-C201 WeakPolarHBondContact O-CB 3.43Å; V198-C201 PolarHBondContact O-N 3.1Å; A199-C201 PolarHBondContact O-N 3.43Å; C201-R204 PolarHBondContact O-N 3.41Å; C201-R204 PolarHBondContact SG-NH2 3.47Å; C201-M205 WeakPolarHBondContact O-CB 3.3Å; C201-M205 WeakPolarHBondContact O-CG 3.43Å; C201-M205 PolarHBondContact O-N 2.86Å; C201-V303 HydrophobicContact CB-CG1 3.88Å; C201-E306 VanDerWaalsContact SG-CD 3.57Å; C201-V307 HydrophobicContact CB-CG2 4.35Å
202V94.8Very high88.6Confident1 Ų159 Ų591%0.00634%0.338CS..Hα-helixtrans-66.4-45177.6175.40000111V198 A199 R204 M205 A206 Q281 L282 K285 V303V198-V202 HydrophobicContact CG1-CG2 4.16Å; V198-V202 WeakPolarHBondContact O-CG2 3.16Å; V198-V202 PolarHBondContact O-N 3.15Å; A199-V202 PolarHBondContact O-N 3.19Å; V202-R204 PolarHBondContact O-N 3.49Å; V202-M205 PolarHBondContact O-N 2.82Å; V202-M205 VanDerWaalsContact O-N 3.15Å; V202-A206 WeakPolarHBondContact O-CB 3.45Å; V202-A206 PolarHBondContact O-N 2.69Å; V202-Q281 HydrophobicContact CB-CB 4.35Å; V202-Q281 HydrophobicContact CG1-CB 4.02Å; V202-Q281 HydrophobicContact CG2-CB 4.07Å; V202-L282 HydrophobicContact CG1-CD2 4.04Å; V202-L282 HydrophobicContact CG1-CG 4.22Å; V202-L282 HydrophobicContact CG2-CD2 4.5Å; V202-L282 HydrophobicContact CG2-CG 4.19Å; V202-K285 HydrophobicContact CG1-CG 4.28Å; V202-V303 HydrophobicContact CG2-CG1 4.26Å; V202-V303 HydrophobicContact CG2-CG2 4.26Å
203E93.3Very high88.4Confident112 Ų11259.9 Ų59.952%0.52333%0.333SS..Hα-helixtrans-55.6-38.4175-72.8-92.7107.500112.4A199 P207 K285A199-E203 VanDerWaalsContact O-CB 3.28Å; A199-E203 WeakPolarHBondContact O-CB 3.48Å; A199-E203 WeakPolarHBondContact O-CG 3.41Å; A199-E203 PolarHBondContact O-N 3.04Å; E203-P207 WeakPolarHBondContact O-CD 3.33Å; E203-K285 IonicContact OE1-NZ 3.35Å; E203-K285 PolarHBondContact OE1-NZ 3.28Å
204R92.3Very high88.2Confident102 Ų10261.7 Ų61.739%0.38534%0.335SS..Hα-helixtrans-77.7-31.6179-160.8-165.9-31.3102.54.6113.2E200 C201 V202 E306E200-R204 WeakPolarHBondContact O-CB 3.35Å; E200-R204 PolarHBondContact O-N 2.99Å; E200-R204 PolarHBondContact O-NH2 2.88Å; E200-R204 IonicContact OE1-NH2 3.8Å; E200-R204 PolarHBondContact OE1-NH2 3.35Å; E200-R204 VanDerWaalsContact OE1-NH2 3.07Å; C201-R204 PolarHBondContact O-N 3.41Å; C201-R204 PolarHBondContact SG-NH2 3.47Å; V202-R204 PolarHBondContact O-N 3.49Å; R204-E306 IonicContact CZ-OE1 2.69Å; R204-E306 IonicContact CZ-OE2 3.07Å; R204-E306 IonicContact NH1-OE1 3.35Å; R204-E306 PolarHBondContact NH1-OE1 3.01Å; R204-E306 IonicContact NH1-OE2 2.75Å; R204-E306 PolarHBondContact NH1-OE2 2.82Å; R204-E306 IonicContact NH2-OE1 3.5Å; R204-E306 PolarHBondContact NH2-OE1 2.98Å; R204-E306 IonicContact NH2-OE2 3.17Å
205M89.1Confident88Confident15 Ų1564.9 Ų64.97%0.07436%0.357CS..Hα-helixtrans-82.4-35.9-179.8-74.8-177.860.100112.4C201 V202 P207 T208 L209 L299 Q302 V303C201-M205 WeakPolarHBondContact O-CB 3.3Å; C201-M205 WeakPolarHBondContact O-CG 3.43Å; C201-M205 PolarHBondContact O-N 2.86Å; V202-M205 PolarHBondContact O-N 2.82Å; V202-M205 VanDerWaalsContact O-N 3.15Å; M205-P207 VanDerWaalsContact C-CD 3.49Å; M205-T208 PolarHBondContact O-N 2.83Å; M205-T208 PolarHBondContact O-OG1 3.2Å; M205-L209 PolarHBondContact O-N 2.87Å; M205-L299 HydrophobicContact CE-CD2 3.82Å; M205-Q302 HydrophobicContact CE-CG 4.16Å; M205-Q302 HydrophobicContact SD-CG 4.34Å; M205-V303 HydrophobicContact CE-CG2 4.33Å; M205-V303 HydrophobicContact SD-CG2 3.56Å; M205-V303 VanDerWaalsContact SD-CG2 3.56Å
206A87.9Confident87.8Confident28 Ų2870.4 Ų70.423%0.23138%0.379CS..G310 helixtrans-53.1-40.8-175.200000114.7V202 T208 L209 K285V202-A206 WeakPolarHBondContact O-CB 3.45Å; V202-A206 PolarHBondContact O-N 2.69Å; A206-T208 PolarHBondContact O-N 3.19Å; A206-L209 PolarHBondContact O-N 3.04Å; A206-K285 HydrophobicContact CB-CB 4.47Å
207P87.1Confident87.6Confident109 Ų10964.8 Ų64.871%0.70835%0.35SS*.G310 helixtrans-66.2-18.8176-22.234.3000114.8E203 M205E203-P207 WeakPolarHBondContact O-CD 3.33Å; M205-P207 VanDerWaalsContact C-CD 3.49Å
208T85.4Confident87.3Confident110 Ų11069.1 Ų69.168%0.67537%0.367SS*.G310 helixtrans-93.4-10.1179.667.80000113.4M205 A206M205-T208 PolarHBondContact O-N 2.83Å; M205-T208 PolarHBondContact O-OG1 3.2Å; A206-T208 PolarHBondContact O-N 3.19Å
209L80.1Confident87.1Confident33 Ų3373.2 Ų73.217%0.17339%0.386CS..SBendtrans-77.6141.2176.9-63.6177.8000110.3M205 A206 K211 L282 L299M205-L209 PolarHBondContact O-N 2.87Å; A206-L209 PolarHBondContact O-N 3.04Å; L209-K211 PolarHBondContact O-N 3.22Å; L209-L282 HydrophobicContact CD1-CD2 3.99Å; L209-L299 HydrophobicContact CD1-CD1 4.29Å; L209-L299 HydrophobicContact CD2-CD1 3.79Å; L209-L299 HydrophobicContact CD2-CD2 3.83Å; L209-L299 HydrophobicContact CD2-CG 4.49Å
210P79.5Confident86.7Confident86 Ų8675.7 Ų75.756%0.55839%0.394SS*.  trans-62.9128.7171.727.6-33.3000109.2S212P210-S212 PolarHBondContact O-N 3.45Å
211K77.1Confident86.5Confident212 Ų21272.6 Ų72.692%0.92238%0.38SS*.  trans-68.6113.8175-67.8-174.2178.4-175.70109.2L209L209-K211 PolarHBondContact O-N 3.22Å
212S81.5Confident86.3Confident33 Ų3379.1 Ų79.123%0.23141%0.409CS..  trans-68.7133.7174-52.60000110.6P210 L214 D286 A288 R292P210-S212 PolarHBondContact O-N 3.45Å; S212-L214 PolarHBondContact O-N 3.24Å; S212-D286 PolarHBondContact OG-OD2 3.24Å; S212-A288 VanDerWaalsContact OG-CB 3.28Å; S212-A288 WeakPolarHBondContact OG-CB 3.41Å; S212-R292 PolarHBondContact OG-NH2 3Å
213D83.3Confident86.2Confident89 Ų8985.4 Ų85.448%0.47644%0.442SS..  trans-75.6119.2171.6-170-15.5000109.9S215 E216 V217D213-S215 PolarHBondContact O-N 3.45Å; D213-S215 WeakPolarHBondContact OD1-CB 3.33Å; D213-S215 PolarHBondContact OD1-N 2.97Å; D213-E216 HydrophobicContact CB-CB 4.41Å; D213-E216 HydrophobicContact CB-CG 4.07Å; D213-E216 PolarHBondContact O-N 3.08Å; D213-V217 WeakPolarHBondContact O-CG2 3.34Å; D213-V217 PolarHBondContact O-N 3.09Å
214L82.6Confident86.1Confident88 Ų8883.5 Ų83.546%0.46144%0.436SS..Hα-helixtrans-59.2-25.8176-65.8173.6000112.4S212 K218S212-L214 PolarHBondContact O-N 3.24Å; L214-K218 WeakPolarHBondContact O-CB 3.49Å; L214-K218 VanDerWaalsContact O-CG 3.29Å; L214-K218 WeakPolarHBondContact O-CG 3.36Å; L214-K218 PolarHBondContact O-N 3.43Å
215S83.6Confident86.2Confident72 Ų7286.7 Ų86.750%0.50345%0.453SS..Hα-helixtrans-66.8-50.7175.5-165.50000111.5D213 V217 K218 E219D213-S215 PolarHBondContact O-N 3.45Å; D213-S215 WeakPolarHBondContact OD1-CB 3.33Å; D213-S215 PolarHBondContact OD1-N 2.97Å; S215-V217 VanDerWaalsContact C-N 3.3Å; S215-V217 PolarHBondContact O-N 3.33Å; S215-K218 PolarHBondContact O-N 3.34Å; S215-K218 VanDerWaalsContact O-N 3.13Å; S215-E219 PolarHBondContact O-N 3.48Å
216E87.9Confident86.3Confident142 Ų14294.5 Ų94.566%0.66449%0.486SS*.Hα-helixtrans-60.7-40177.6-66.1-174.4165.600111.7D213 E219 L220D213-E216 HydrophobicContact CB-CB 4.41Å; D213-E216 HydrophobicContact CB-CG 4.07Å; D213-E216 PolarHBondContact O-N 3.08Å; E216-E219 PolarHBondContact O-N 2.98Å; E216-L220 PolarHBondContact O-N 3.14Å
217V87.4Confident86.3Confident10 Ų1094.3 Ų94.36%0.06148%0.481CS..Hα-helixtrans-64.3-40.6176.2177.80000111.3D213 S215 L220 L221 F235 A288 T291D213-V217 WeakPolarHBondContact O-CG2 3.34Å; D213-V217 PolarHBondContact O-N 3.09Å; S215-V217 VanDerWaalsContact C-N 3.3Å; S215-V217 PolarHBondContact O-N 3.33Å; V217-L220 WeakPolarHBondContact O-CB 3.47Å; V217-L220 PolarHBondContact O-N 3.08Å; V217-L221 HydrophobicContact CG1-CD1 4.2Å; V217-L221 VanDerWaalsContact O-CG 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.05Å; V217-L221 PolarHBondContact O-N 3.03Å; V217-F235 HydrophobicContact CG1-CD1 4.09Å; V217-F235 HydrophobicContact CG1-CE1 3.49Å; V217-F235 VanDerWaalsContact CG1-CE1 3.49Å; V217-F235 HydrophobicContact CG1-CE2 4.32Å; V217-F235 HydrophobicContact CG1-CZ 3.62Å; V217-A288 HydrophobicContact CG2-CB 3.62Å; V217-T291 HydrophobicContact CG1-CG2 3.93Å
218K86.3Confident86.6Confident103 Ų10390.8 Ų90.845%0.44846%0.461SS..Hα-helixtrans-64.3-38.7174.9-77.2176.2179.3-173.30112L214 S215 L221 K222L214-K218 WeakPolarHBondContact O-CB 3.49Å; L214-K218 VanDerWaalsContact O-CG 3.29Å; L214-K218 WeakPolarHBondContact O-CG 3.36Å; L214-K218 PolarHBondContact O-N 3.43Å; S215-K218 PolarHBondContact O-N 3.34Å; S215-K218 VanDerWaalsContact O-N 3.13Å; K218-L221 PolarHBondContact O-N 2.88Å; K218-K222 WeakPolarHBondContact O-CG 3.44Å; K218-K222 PolarHBondContact O-N 3.22Å
219E88.9Confident86.9Confident86 Ų8694.5 Ų94.540%0.40247%0.467SS..Hα-helixtrans-66.2-41172.4-67-51.8130.200112.7S215 E216 L221 K222 N223S215-E219 PolarHBondContact O-N 3.48Å; E216-E219 PolarHBondContact O-N 2.98Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 3.12Å; E219-K222 PolarHBondContact O-N 2.92Å; E219-K222 IonicContact OE1-NZ 3.92Å; E219-K222 PolarHBondContact OE1-NZ 3.45Å; E219-K222 IonicContact OE2-NZ 2.76Å; E219-N223 PolarHBondContact O-N 3.24Å; E219-N223 PolarHBondContact O-ND2 3.29Å
220L87.2Confident87.4Confident82 Ų8295.5 Ų95.543%0.42947%0.472SS..Hα-helixtrans-58.8-40.3174.6-175.967.4000111.9E216 V217 N223 N224 T291E216-L220 PolarHBondContact O-N 3.14Å; V217-L220 WeakPolarHBondContact O-CB 3.47Å; V217-L220 PolarHBondContact O-N 3.08Å; L220-N223 PolarHBondContact O-N 2.99Å; L220-N224 WeakPolarHBondContact O-CB 3.35Å; L220-N224 PolarHBondContact O-N 2.76Å; L220-T291 HydrophobicContact CD2-CG2 4.46Å
221L88.7Confident88Confident11 Ų1191.4 Ų91.46%0.05845%0.446CS..Hα-helixtrans-67.1-44.9176.2-67.6166.3000111.7V217 K218 E219 N223 N224 L227 A228 I231 F235V217-L221 HydrophobicContact CG1-CD1 4.2Å; V217-L221 VanDerWaalsContact O-CG 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.05Å; V217-L221 PolarHBondContact O-N 3.03Å; K218-L221 PolarHBondContact O-N 2.88Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 3.12Å; L221-N223 VanDerWaalsContact C-N 3.27Å; L221-N223 PolarHBondContact O-N 3.46Å; L221-N224 CarbonylContact O-C 3.45Å; L221-N224 VanDerWaalsContact O-C 3.28Å; L221-N224 PolarHBondContact O-N 3.47Å; L221-N224 VanDerWaalsContact O-N 3.1Å; L221-L227 HydrophobicContact CD2-CB 4.19Å; L221-L227 HydrophobicContact CD2-CD2 4Å; L221-L227 HydrophobicContact CD2-CG 3.74Å; L221-A228 HydrophobicContact CB-CB 4.24Å; L221-A228 WeakPolarHBondContact O-CB 3.36Å; L221-I231 HydrophobicContact CD2-CG1 4.19Å; L221-F235 HydrophobicContact CD1-CB 4.39Å; L221-F235 HydrophobicContact CD1-CD2 3.55Å; L221-F235 HydrophobicContact CD1-CE2 3.94Å; L221-F235 HydrophobicContact CD1-CG 3.99Å
222K88.9Confident88.7Confident138 Ų13881.7 Ų81.760%0.641%0.405SS*.Hα-helixtrans-55.4-43.7174.4-71.6170-174174.80111.9K218 E219K218-K222 WeakPolarHBondContact O-CG 3.44Å; K218-K222 PolarHBondContact O-N 3.22Å; E219-K222 PolarHBondContact O-N 2.92Å; E219-K222 IonicContact OE1-NZ 3.92Å; E219-K222 PolarHBondContact OE1-NZ 3.45Å; E219-K222 IonicContact OE2-NZ 2.76Å
223N92.3Very high89.2Confident133 Ų13383 Ų8371%0.71141%0.408SS*.Hα-helixtrans-70.1-32.8178-70.1-40.5000112.6E219 L220 L221E219-N223 PolarHBondContact O-N 3.24Å; E219-N223 PolarHBondContact O-ND2 3.29Å; L220-N223 PolarHBondContact O-N 2.99Å; L221-N223 VanDerWaalsContact C-N 3.27Å; L221-N223 PolarHBondContact O-N 3.46Å
224N91.4Very high89.6Confident71 Ų7178.8 Ų78.838%0.3839%0.385SS..  trans-109.384.2-177.7-166-29.1000113.1L220 L221 K226 L227 A228L220-N224 WeakPolarHBondContact O-CB 3.35Å; L220-N224 PolarHBondContact O-N 2.76Å; L221-N224 CarbonylContact O-C 3.45Å; L221-N224 VanDerWaalsContact O-C 3.28Å; L221-N224 PolarHBondContact O-N 3.47Å; L221-N224 VanDerWaalsContact O-N 3.1Å; N224-K226 PolarHBondContact O-N 2.94Å; N224-K226 PolarHBondContact OD1-N 3.01Å; N224-L227 HydrophobicContact CB-CB 3.99Å; N224-L227 PolarHBondContact O-N 3.42Å; N224-L227 PolarHBondContact OD1-N 3.18Å; N224-L227 VanDerWaalsContact OD1-N 3.15Å; N224-A228 PolarHBondContact O-N 3.1Å
225K93.4Very high90Very high170 Ų17075.3 Ų75.374%0.73937%0.366SS*.Hα-helixtrans-52.8-23.7177.7-66.3-177.2179.2178.10115.4K229K225-K229 VanDerWaalsContact O-CG 3.31Å; K225-K229 WeakPolarHBondContact O-CG 3.39Å; K225-K229 PolarHBondContact O-N 2.91Å
226K91.1Very high90.2Very high179 Ų17979.9 Ų79.978%0.77838%0.379SS*.Hα-helixtrans-79.7-40.7175.9-70.6-178.4179.8176.10111.5N224 M230N224-K226 PolarHBondContact O-N 2.94Å; N224-K226 PolarHBondContact OD1-N 3.01Å; K226-M230 PolarHBondContact O-N 3.41Å
227L89.4Confident90.1Very high24 Ų2475.3 Ų75.313%0.12636%0.359CS..Hα-helixtrans-71.8-42.8178.3-167.364.8000111.2L221 N224 K229 M230 I231 T291L221-L227 HydrophobicContact CD2-CB 4.19Å; L221-L227 HydrophobicContact CD2-CD2 4Å; L221-L227 HydrophobicContact CD2-CG 3.74Å; N224-L227 HydrophobicContact CB-CB 3.99Å; N224-L227 PolarHBondContact O-N 3.42Å; N224-L227 PolarHBondContact OD1-N 3.18Å; N224-L227 VanDerWaalsContact OD1-N 3.15Å; L227-K229 VanDerWaalsContact C-N 3.33Å; L227-K229 PolarHBondContact O-N 3.45Å; L227-M230 WeakPolarHBondContact O-CB 3.28Å; L227-M230 PolarHBondContact O-N 2.85Å; L227-I231 HydrophobicContact CD1-CD1 3.73Å; L227-I231 HydrophobicContact CD1-CG1 4.03Å; L227-I231 HydrophobicContact CG-CD1 4.03Å; L227-I231 HydrophobicContact CG-CG1 4.13Å; L227-I231 WeakPolarHBondContact O-CG1 3.33Å; L227-I231 PolarHBondContact O-N 3.21Å; L227-T291 HydrophobicContact CD2-CG2 3.99Å
228A91.8Very high90.2Very high34 Ų3478.2 Ų78.228%0.28138%0.379SS..Hα-helixtrans-56.8-42.9173.700000112.9L221 N224 M230 G232L221-A228 HydrophobicContact CB-CB 4.24Å; L221-A228 WeakPolarHBondContact O-CB 3.36Å; N224-A228 PolarHBondContact O-N 3.1Å; A228-M230 PolarHBondContact O-N 3.02Å; A228-G232 WeakPolarHBondContact O-CA 3.46Å; A228-G232 PolarHBondContact O-N 3.15Å
229K92.1Very high90Very high188 Ų18878.8 Ų78.882%0.81739%0.387SS*.Hα-helixtrans-68.8-15175-75.8-175.9176.7-165.90114.6K225 L227K225-K229 VanDerWaalsContact O-CG 3.31Å; K225-K229 WeakPolarHBondContact O-CG 3.39Å; K225-K229 PolarHBondContact O-N 2.91Å; L227-K229 VanDerWaalsContact C-N 3.33Å; L227-K229 PolarHBondContact O-N 3.45Å
230M90.3Very high89.7Confident55 Ų5582 Ų8227%0.27140%0.402SS..Hα-helixtrans-96.7-45.1-177-171.5-177.9-71.400111.8K226 L227 A228 H233 Y251 R293K226-M230 PolarHBondContact O-N 3.41Å; L227-M230 WeakPolarHBondContact O-CB 3.28Å; L227-M230 PolarHBondContact O-N 2.85Å; A228-M230 PolarHBondContact O-N 3.02Å; M230-H233 PolarHBondContact O-CE1 3.27Å; M230-Y251 HydrophobicContact CG-CD1 3.84Å; M230-Y251 HydrophobicContact CG-CE1 3.5Å; M230-Y251 VanDerWaalsContact CG-CE1 3.5Å; M230-Y251 WeakPolarHBondContact O-CE1 3.24Å; M230-Y251 WeakPolarHBondContact O-CE2 3.21Å; M230-Y251 PolarHBondContact O-OH 3.38Å; M230-R293 PolarHBondContact SD-NH2 3.5Å
231I93Very high89.7Confident0 Ų080.9 Ų80.90%040%0.397CS..Hα-helixtrans-133.82.3-173.757.5173.8000113.6L221 L227 H233 I234 F235 Y251 L290 T291L221-I231 HydrophobicContact CD2-CG1 4.19Å; L227-I231 HydrophobicContact CD1-CD1 3.73Å; L227-I231 HydrophobicContact CD1-CG1 4.03Å; L227-I231 HydrophobicContact CG-CD1 4.03Å; L227-I231 HydrophobicContact CG-CG1 4.13Å; L227-I231 WeakPolarHBondContact O-CG1 3.33Å; L227-I231 PolarHBondContact O-N 3.21Å; I231-H233 PolarHBondContact O-N 3.2Å; I231-I234 HydrophobicContact CB-CD1 4.08Å; I231-I234 HydrophobicContact CG2-CD1 4.09Å; I231-I234 WeakPolarHBondContact O-CB 3.47Å; I231-I234 PolarHBondContact O-N 3.29Å; I231-F235 HydrophobicContact CD1-CE2 4.22Å; I231-F235 HydrophobicContact CG1-CE2 4.35Å; I231-F235 WeakPolarHBondContact O-CD2 3.45Å; I231-Y251 HydrophobicContact CG2-CD1 3.69Å; I231-Y251 HydrophobicContact CG2-CD2 4.3Å; I231-Y251 HydrophobicContact CG2-CE1 4.35Å; I231-Y251 HydrophobicContact CG2-CG 3.67Å; I231-L290 HydrophobicContact CD1-CB 3.73Å; I231-T291 HydrophobicContact CD1-CG2 3.93Å
232G91.7Very high89.5Confident7 Ų784.7 Ų84.77%0.07242%0.423CS..G310 helixtrans-62.8-39-174.400000113.5A228 I234 F235A228-G232 WeakPolarHBondContact O-CA 3.46Å; A228-G232 PolarHBondContact O-N 3.15Å; G232-I234 PolarHBondContact O-N 3.21Å; G232-F235 PolarHBondContact O-N 3.02Å
233H92.1Very high89.5Confident62 Ų6283.2 Ų83.229%0.28742%0.417SS..G310 helixtrans-58.4-30.7176.662.7-66.3000112.7M230 I231 F235 E236 M237 E247 Y251M230-H233 PolarHBondContact O-CE1 3.27Å; I231-H233 PolarHBondContact O-N 3.2Å; H233-F235 VanDerWaalsContact C-N 3.25Å; H233-F235 PolarHBondContact O-N 2.63Å; H233-E236 PolarHBondContact O-N 3.35Å; H233-M237 WeakPolarHBondContact O-CG 3.18Å; H233-M237 PolarHBondContact O-N 3.27Å; H233-E247 IonicContact CD2-OE2 3.6Å; H233-E247 IonicContact CE1-OE2 3.51Å; H233-E247 IonicContact NE2-OE2 3.11Å; H233-E247 PolarHBondContact NE2-OE2 3.28Å; H233-Y251 AromaticContact CE1-CE2 3.81Å
234I92.3Very high89.4Confident0 Ų077.4 Ų77.40%039%0.386CS..G310 helixtrans-63.7-32.3177-51.3177.4000111.3I231 G232 E236 M237 K244 E247 I248 Y251 L290I231-I234 HydrophobicContact CB-CD1 4.08Å; I231-I234 HydrophobicContact CG2-CD1 4.09Å; I231-I234 WeakPolarHBondContact O-CB 3.47Å; I231-I234 PolarHBondContact O-N 3.29Å; G232-I234 PolarHBondContact O-N 3.21Å; I234-E236 VanDerWaalsContact C-N 3.3Å; I234-M237 HydrophobicContact CB-CE 4.36Å; I234-M237 HydrophobicContact CG1-CE 4.19Å; I234-K244 HydrophobicContact CG2-CG 4.16Å; I234-K244 WeakPolarHBondContact O-CE 3.26Å; I234-K244 PolarHBondContact O-NZ 2.9Å; I234-E247 HydrophobicContact CD1-CB 4.25Å; I234-E247 HydrophobicContact CG1-CB 4.21Å; I234-I248 HydrophobicContact CG2-CD1 4.19Å; I234-I248 HydrophobicContact CG2-CG1 3.59Å; I234-Y251 HydrophobicContact CD1-CD2 3.72Å; I234-Y251 HydrophobicContact CD1-CE2 4.43Å; I234-Y251 HydrophobicContact CD1-CG 4.27Å; I234-L290 HydrophobicContact CD1-CD1 3.96Å; I234-L290 HydrophobicContact CG2-CD1 4.22Å
235F89.6Confident89.4Confident15 Ų1577.4 Ų77.47%0.06638%0.384CS..G310 helixtrans-84.2-3.5176-63.3-90.5000113.7V217 L221 I231 G232 H233 N287 T291V217-F235 HydrophobicContact CG1-CD1 4.09Å; V217-F235 HydrophobicContact CG1-CE1 3.49Å; V217-F235 VanDerWaalsContact CG1-CE1 3.49Å; V217-F235 HydrophobicContact CG1-CE2 4.32Å; V217-F235 HydrophobicContact CG1-CZ 3.62Å; L221-F235 HydrophobicContact CD1-CB 4.39Å; L221-F235 HydrophobicContact CD1-CD2 3.55Å; L221-F235 HydrophobicContact CD1-CE2 3.94Å; L221-F235 HydrophobicContact CD1-CG 3.99Å; I231-F235 HydrophobicContact CD1-CE2 4.22Å; I231-F235 HydrophobicContact CG1-CE2 4.35Å; I231-F235 WeakPolarHBondContact O-CD2 3.45Å; G232-F235 PolarHBondContact O-N 3.02Å; H233-F235 VanDerWaalsContact C-N 3.25Å; H233-F235 PolarHBondContact O-N 2.63Å; F235-N287 HydrophobicContact CD1-CB 4.23Å; F235-N287 HydrophobicContact CE1-CB 3.6Å; F235-N287 HydrophobicContact CZ-CB 4.11Å; F235-N287 VanDerWaalsContact CZ-O 3.28Å; F235-N287 WeakPolarHBondContact CZ-O 3.49Å; F235-T291 HydrophobicContact CZ-CG2 4.37Å
236E87.6Confident89.3Confident167 Ų16774.4 Ų74.478%0.7837%0.372SS*.THydrogen-bonded Turntrans-103.4-25.8176.2-64.9173.3178.900111.9H233 I234H233-E236 PolarHBondContact O-N 3.35Å; I234-E236 VanDerWaalsContact C-N 3.3Å
237M87.2Confident89.4Confident46 Ų4667.8 Ų67.823%0.22734%0.344CS..SBendtrans-71.5148.3172.9-68.6-173.3-65.900112.9H233 I234 K244 E247H233-M237 WeakPolarHBondContact O-CG 3.18Å; H233-M237 PolarHBondContact O-N 3.27Å; I234-M237 HydrophobicContact CB-CE 4.36Å; I234-M237 HydrophobicContact CG1-CE 4.19Å; M237-K244 HydrophobicContact CB-CB 4.26Å; M237-K244 HydrophobicContact CB-CD 4.09Å; M237-K244 HydrophobicContact CB-CG 4.29Å; M237-K244 HydrophobicContact CE-CB 4.18Å; M237-K244 HydrophobicContact CE-CG 4.25Å; M237-K244 PolarHBondContact O-NZ 3.34Å; M237-E247 HydrophobicContact CE-CB 4.09Å; M237-E247 HydrophobicContact CE-CG 4.24Å
238S88Confident89.6Confident71 Ų7166.9 Ų66.950%0.49734%0.339SS..  trans-67149.2176.8-140.90000111.8E240 D241 K244S238-E240 WeakPolarHBondContact CB-OE2 3.46Å; S238-E240 PolarHBondContact O-N 3.37Å; S238-E240 PolarHBondContact OG-OE2 3.22Å; S238-D241 PolarHBondContact O-N 3.09Å; S238-K244 WeakPolarHBondContact O-CD 3.34Å
239D83.2Confident89.7Confident115 Ų11570 Ų7062%0.61534%0.344SS*.THydrogen-bonded Turntrans-69.9-17.2177.3-69.2-45.2000112.9K244D239-K244 WeakPolarHBondContact OD1-CE 3.38Å; D239-K244 IonicContact OD1-NZ 2.7Å; D239-K244 PolarHBondContact OD1-NZ 3.31Å
240E83.1Confident89.7Confident153 Ų15365.3 Ų65.372%0.71532%0.324SS*.THydrogen-bonded Turntrans-87.7-5.7177.2-5673-161.700113.8S238S238-E240 WeakPolarHBondContact CB-OE2 3.46Å; S238-E240 PolarHBondContact O-N 3.37Å; S238-E240 PolarHBondContact OG-OE2 3.22Å
241D85.9Confident89.8Confident59 Ų5964.2 Ų64.232%0.31632%0.316SS..  trans-82.8119-178.7-170.7-22.6000110.8S238 H243 K244S238-D241 PolarHBondContact O-N 3.09Å; D241-H243 PolarHBondContact O-N 3.07Å; D241-H243 WeakPolarHBondContact OD1-CB 3.41Å; D241-H243 IonicContact OD1-CD2 3.76Å; D241-H243 IonicContact OD1-CG 3.94Å; D241-H243 PolarHBondContact OD1-N 2.92Å; D241-K244 HydrophobicContact CB-CB 4.4Å; D241-K244 VanDerWaalsContact O-CB 3.26Å; D241-K244 WeakPolarHBondContact O-CB 3.37Å; D241-K244 PolarHBondContact O-N 3.47Å
242P84.9Confident89.9Confident92 Ų9264.3 Ų64.360%0.59732%0.317SS*.Hα-helixtrans-59-30.6177.924.9-34.6000113.1K244 E245 E246P242-K244 PolarHBondContact O-N 2.96Å; P242-E245 PolarHBondContact O-N 3.24Å; P242-E246 PolarHBondContact O-N 2.95Å
243H88.4Confident90Very high106 Ų10664.8 Ų64.849%0.49132%0.321SS..Hα-helixtrans-67.7-22.1177.7-67.7-55.7000113D241 E245 E246 E247D241-H243 PolarHBondContact O-N 3.07Å; D241-H243 WeakPolarHBondContact OD1-CB 3.41Å; D241-H243 IonicContact OD1-CD2 3.76Å; D241-H243 IonicContact OD1-CG 3.94Å; D241-H243 PolarHBondContact OD1-N 2.92Å; H243-E245 VanDerWaalsContact C-N 3.35Å; H243-E246 IonicContact CE1-OE2 3.78Å; H243-E246 IonicContact CG-OE2 3.67Å; H243-E246 IonicContact ND1-OE2 2.85Å; H243-E246 PolarHBondContact ND1-OE2 3.14Å; H243-E246 PolarHBondContact O-N 3.45Å; H243-E247 PolarHBondContact O-N 2.91Å
244K91.4Very high90Very high12 Ų1263.9 Ų63.95%0.05232%0.317CS..Hα-helixtrans-64.3-41.9173.6-174.2172.2-179.1166.20111.2I234 M237 S238 D239 D241 P242 E247 I248I234-K244 HydrophobicContact CG2-CG 4.16Å; I234-K244 WeakPolarHBondContact O-CE 3.26Å; I234-K244 PolarHBondContact O-NZ 2.9Å; M237-K244 HydrophobicContact CB-CB 4.26Å; M237-K244 HydrophobicContact CB-CD 4.09Å; M237-K244 HydrophobicContact CB-CG 4.29Å; M237-K244 HydrophobicContact CE-CB 4.18Å; M237-K244 HydrophobicContact CE-CG 4.25Å; M237-K244 PolarHBondContact O-NZ 3.34Å; S238-K244 WeakPolarHBondContact O-CD 3.34Å; D239-K244 WeakPolarHBondContact OD1-CE 3.38Å; D239-K244 IonicContact OD1-NZ 2.7Å; D239-K244 PolarHBondContact OD1-NZ 3.31Å; D241-K244 HydrophobicContact CB-CB 4.4Å; D241-K244 VanDerWaalsContact O-CB 3.26Å; D241-K244 WeakPolarHBondContact O-CB 3.37Å; D241-K244 PolarHBondContact O-N 3.47Å; P242-K244 PolarHBondContact O-N 2.96Å; K244-E247 PolarHBondContact O-N 2.9Å; K244-I248 HydrophobicContact CG-CD1 3.92Å; K244-I248 WeakPolarHBondContact O-CB 3.21Å; K244-I248 WeakPolarHBondContact O-CD1 3.37Å; K244-I248 WeakPolarHBondContact O-CG1 3.41Å; K244-I248 PolarHBondContact O-N 2.88Å
245E90.4Very high89.9Confident71 Ų7166.5 Ų66.533%0.33233%0.328SS..Hα-helixtrans-67.5-36.9178.6-147.1-162.4-179.400111.9P242 H243 I248 R249 V284P242-E245 PolarHBondContact O-N 3.24Å; H243-E245 VanDerWaalsContact C-N 3.35Å; E245-I248 PolarHBondContact O-N 3.12Å; E245-R249 WeakPolarHBondContact O-CG 3.44Å; E245-R249 PolarHBondContact O-N 3.14Å; E245-R249 IonicContact OE1-CZ 2.77Å; E245-R249 IonicContact OE1-NH1 2.82Å; E245-R249 PolarHBondContact OE1-NH1 3.46Å; E245-R249 IonicContact OE1-NH2 3.13Å; E245-R249 PolarHBondContact OE1-NH2 3.02Å; E245-R249 IonicContact OE2-CZ 3.67Å; E245-R249 IonicContact OE2-NH1 2.65Å; E245-R249 PolarHBondContact OE2-NH1 3.2Å; E245-R249 IonicContact OE2-NH2 2.75Å; E245-R249 PolarHBondContact OE2-NH2 2.9Å; E245-R249 VanDerWaalsContact OE2-NH2 3.17Å; E245-V284 HydrophobicContact CG-CG1 4.4Å; E245-V284 HydrophobicContact CG-CG2 3.55Å
246E91.6Very high89.8Confident107 Ų10768 Ų6850%0.535%0.348SS..Hα-helixtrans-62.4-47.4174.8-63.3178.715600112P242 H243 R249 K250P242-E246 PolarHBondContact O-N 2.95Å; H243-E246 IonicContact CE1-OE2 3.78Å; H243-E246 IonicContact CG-OE2 3.67Å; H243-E246 IonicContact ND1-OE2 2.85Å; H243-E246 PolarHBondContact ND1-OE2 3.14Å; H243-E246 PolarHBondContact O-N 3.45Å; E246-R249 PolarHBondContact O-N 3.19Å; E246-K250 WeakPolarHBondContact O-CB 3.44Å; E246-K250 PolarHBondContact O-N 3.39Å
247E93.3Very high89.7Confident40 Ų4061.9 Ų61.919%0.18732%0.317CS..Hα-helixtrans-67.5-38176.5-72.9-74.9114.500111.4H233 I234 M237 H243 K244 R249 K250 Y251H233-E247 IonicContact CD2-OE2 3.6Å; H233-E247 IonicContact CE1-OE2 3.51Å; H233-E247 IonicContact NE2-OE2 3.11Å; H233-E247 PolarHBondContact NE2-OE2 3.28Å; I234-E247 HydrophobicContact CD1-CB 4.25Å; I234-E247 HydrophobicContact CG1-CB 4.21Å; M237-E247 HydrophobicContact CE-CB 4.09Å; M237-E247 HydrophobicContact CE-CG 4.24Å; H243-E247 PolarHBondContact O-N 2.91Å; K244-E247 PolarHBondContact O-N 2.9Å; E247-R249 PolarHBondContact O-N 3.41Å; E247-K250 PolarHBondContact O-N 2.94Å; E247-K250 VanDerWaalsContact OE1-CD 3.32Å; E247-K250 WeakPolarHBondContact OE1-CD 3.29Å; E247-K250 IonicContact OE1-NZ 3.47Å; E247-K250 PolarHBondContact OE1-NZ 3.02Å; E247-K250 IonicContact OE2-NZ 2.7Å; E247-Y251 VanDerWaalsContact O-CD2 3.28Å; E247-Y251 WeakPolarHBondContact O-CD2 3.48Å; E247-Y251 PolarHBondContact O-N 3.48Å; E247-Y251 WeakPolarHBondContact OE2-CE2 3.33Å
248I93.4Very high89.5Confident5 Ų565.1 Ų65.13%0.02633%0.33CS..Hα-helixtrans-57.3-51172-70.9163.8000110.6I234 K244 E245 K250 Y251 S252 C283 V284 N287 L290I234-I248 HydrophobicContact CG2-CD1 4.19Å; I234-I248 HydrophobicContact CG2-CG1 3.59Å; K244-I248 HydrophobicContact CG-CD1 3.92Å; K244-I248 WeakPolarHBondContact O-CB 3.21Å; K244-I248 WeakPolarHBondContact O-CD1 3.37Å; K244-I248 WeakPolarHBondContact O-CG1 3.41Å; K244-I248 PolarHBondContact O-N 2.88Å; E245-I248 PolarHBondContact O-N 3.12Å; I248-K250 VanDerWaalsContact C-N 3.29Å; I248-K250 PolarHBondContact O-N 3.19Å; I248-Y251 PolarHBondContact O-N 3.42Å; I248-S252 VanDerWaalsContact O-CB 3.23Å; I248-S252 WeakPolarHBondContact O-CB 3.42Å; I248-S252 PolarHBondContact O-N 3.05Å; I248-S252 PolarHBondContact O-OG 2.88Å; I248-C283 HydrophobicContact CG2-CB 3.46Å; I248-C283 VanDerWaalsContact CG2-CB 3.46Å; I248-V284 HydrophobicContact CB-CG2 4.39Å; I248-V284 HydrophobicContact CD1-CG2 4.24Å; I248-V284 HydrophobicContact CG2-CG2 3.81Å; I248-N287 VanDerWaalsContact CD1-OD1 3.27Å; I248-N287 WeakPolarHBondContact CD1-OD1 3.44Å; I248-L290 HydrophobicContact CG1-CD1 4.27Å
249R93.5Very high89Confident100 Ų10064.5 Ų64.538%0.37732%0.322SS..Hα-helixtrans-55.1-43.4177.2-78.6-179.5178.6102.59.2112.3E245 E246 E247 S252 A253 A280E245-R249 WeakPolarHBondContact O-CG 3.44Å; E245-R249 PolarHBondContact O-N 3.14Å; E245-R249 IonicContact OE1-CZ 2.77Å; E245-R249 IonicContact OE1-NH1 2.82Å; E245-R249 PolarHBondContact OE1-NH1 3.46Å; E245-R249 IonicContact OE1-NH2 3.13Å; E245-R249 PolarHBondContact OE1-NH2 3.02Å; E245-R249 IonicContact OE2-CZ 3.67Å; E245-R249 IonicContact OE2-NH1 2.65Å; E245-R249 PolarHBondContact OE2-NH1 3.2Å; E245-R249 IonicContact OE2-NH2 2.75Å; E245-R249 PolarHBondContact OE2-NH2 2.9Å; E245-R249 VanDerWaalsContact OE2-NH2 3.17Å; E246-R249 PolarHBondContact O-N 3.19Å; E247-R249 PolarHBondContact O-N 3.41Å; R249-S252 PolarHBondContact O-OG 3.1Å; R249-A253 PolarHBondContact O-N 3.34Å; R249-A280 HydrophobicContact CG-CB 3.79Å
250K91.9Very high88.8Confident89 Ų8961.3 Ų61.339%0.38731%0.308SS..Hα-helixtrans-66.5-36.4-179.6178.3179.7170.4-171.20113.5E246 E247 I248 F258E246-K250 WeakPolarHBondContact O-CB 3.44Å; E246-K250 PolarHBondContact O-N 3.39Å; E247-K250 PolarHBondContact O-N 2.94Å; E247-K250 VanDerWaalsContact OE1-CD 3.32Å; E247-K250 WeakPolarHBondContact OE1-CD 3.29Å; E247-K250 IonicContact OE1-NZ 3.47Å; E247-K250 PolarHBondContact OE1-NZ 3.02Å; E247-K250 IonicContact OE2-NZ 2.7Å; I248-K250 VanDerWaalsContact C-N 3.29Å; I248-K250 PolarHBondContact O-N 3.19Å; K250-F258 HydrophobicContact CG-CD1 3.75Å; K250-F258 HydrophobicContact CG-CE1 3.75Å
251Y93.2Very high88.2Confident31 Ų3164.1 Ų64.112%0.12232%0.318CS..Hα-helixtrans-91.4-24.9-179.8-76.9-77.6000114.7M230 I231 H233 I234 E247 I248 F258M230-Y251 HydrophobicContact CG-CD1 3.84Å; M230-Y251 HydrophobicContact CG-CE1 3.5Å; M230-Y251 VanDerWaalsContact CG-CE1 3.5Å; M230-Y251 WeakPolarHBondContact O-CE1 3.24Å; M230-Y251 WeakPolarHBondContact O-CE2 3.21Å; M230-Y251 PolarHBondContact O-OH 3.38Å; I231-Y251 HydrophobicContact CG2-CD1 3.69Å; I231-Y251 HydrophobicContact CG2-CD2 4.3Å; I231-Y251 HydrophobicContact CG2-CE1 4.35Å; I231-Y251 HydrophobicContact CG2-CG 3.67Å; H233-Y251 AromaticContact CE1-CE2 3.81Å; I234-Y251 HydrophobicContact CD1-CD2 3.72Å; I234-Y251 HydrophobicContact CD1-CE2 4.43Å; I234-Y251 HydrophobicContact CD1-CG 4.27Å; E247-Y251 VanDerWaalsContact O-CD2 3.28Å; E247-Y251 WeakPolarHBondContact O-CD2 3.48Å; E247-Y251 PolarHBondContact O-N 3.48Å; E247-Y251 WeakPolarHBondContact OE2-CE2 3.33Å; I248-Y251 PolarHBondContact O-N 3.42Å; Y251-F258 AromaticContact CD1-CE1 3.93Å; Y251-F258 HydrophobicContact CD1-CE1 3.93Å; Y251-F258 HydrophobicContact CD1-CZ 4.11Å; Y251-F258 AromaticContact CE1-CE1 3.73Å; Y251-F258 HydrophobicContact CE1-CE1 3.73Å; Y251-F258 AromaticContact CE1-CZ 3.43Å; Y251-F258 HydrophobicContact CE1-CZ 3.43Å; Y251-F258 VanDerWaalsContact CE1-CZ 3.43Å; Y251-F258 HydrophobicContact CG-CE1 4.46Å; Y251-F258 AromaticContact CZ-CZ 3.72Å
252S94.9Very high87.5Confident3 Ų370.8 Ų70.82%0.02134%0.339CS..Hα-helixtrans-77.6-21.1176.368.80000113.9I248 R249 I254 A280I248-S252 VanDerWaalsContact O-CB 3.23Å; I248-S252 WeakPolarHBondContact O-CB 3.42Å; I248-S252 PolarHBondContact O-N 3.05Å; I248-S252 PolarHBondContact O-OG 2.88Å; R249-S252 PolarHBondContact O-OG 3.1Å; S252-I254 PolarHBondContact O-N 3.33Å; S252-A280 WeakPolarHBondContact OG-CA 3.43Å
253A93.6Very high86.1Confident17 Ų1776.5 Ų76.514%0.1435%0.354CS..  trans-49.7122.817900000111.8R249 R257R249-A253 PolarHBondContact O-N 3.34Å; A253-R257 HydrophobicContact CB-CG 4.45Å; A253-R257 WeakPolarHBondContact O-CD 3.47Å; A253-R257 VanDerWaalsContact O-CG 3.23Å; A253-R257 WeakPolarHBondContact O-CG 3.42Å; A253-R257 PolarHBondContact O-NE 2.89Å
254I92.8Very high84.9Confident43 Ų4375.2 Ų75.222%0.22135%0.351CS..SBendtrans-89.7-44.2-179-73.3163.8000109.9S252 V275 N276 A279 F297 A300S252-I254 PolarHBondContact O-N 3.33Å; I254-V275 HydrophobicContact CB-CG1 4.25Å; I254-V275 HydrophobicContact CD1-CG1 3.53Å; I254-V275 HydrophobicContact CG1-CG1 4.48Å; I254-V275 HydrophobicContact CG2-CG1 4.25Å; I254-N276 PolarHBondContact N-OD1 2.96Å; I254-A279 HydrophobicContact CD1-CB 3.71Å; I254-A279 HydrophobicContact CG1-CB 4.3Å; I254-F297 HydrophobicContact CD1-CD2 4.06Å; I254-F297 HydrophobicContact CG1-CD2 4.41Å; I254-F297 HydrophobicContact CG2-CD2 3.54Å; I254-F297 HydrophobicContact CG2-CE2 3.73Å; I254-A300 HydrophobicContact CD1-CB 3.84Å
255Y90.9Very high83.6Confident54 Ų5478.5 Ų78.521%0.21239%0.388CS..SBendtrans-107.6148.8178.9-61.6-79.5000110.5R257 E272 V275 N276Y255-R257 PolarHBondContact O-N 2.7Å; Y255-E272 HydrophobicContact CD1-CB 4.44Å; Y255-E272 HydrophobicContact CD1-CG 3.75Å; Y255-E272 WeakPolarHBondContact CD1-OE1 3.48Å; Y255-E272 HydrophobicContact CD2-CB 3.76Å; Y255-E272 HydrophobicContact CD2-CG 3.74Å; Y255-E272 HydrophobicContact CE1-CG 4.08Å; Y255-E272 HydrophobicContact CE2-CB 4.42Å; Y255-E272 HydrophobicContact CE2-CG 4.05Å; Y255-E272 HydrophobicContact CG-CB 3.77Å; Y255-E272 HydrophobicContact CG-CG 3.57Å; Y255-V275 HydrophobicContact CD2-CB 4.24Å; Y255-V275 HydrophobicContact CD2-CG1 4.12Å; Y255-V275 HydrophobicContact CE2-CB 3.96Å; Y255-V275 HydrophobicContact CE2-CG1 3.75Å; Y255-V275 HydrophobicContact CE2-CG2 4.35Å; Y255-N276 PolarHBondContact N-OD1 2.94Å; Y255-N276 PolarHBondContact O-ND2 3.48Å
256G87Confident83Confident47 Ų4783.1 Ų83.149%0.48541%0.407SS..SBendtrans65.422-178.900000114.3
257R85.3Confident82.5Confident39 Ų3984.9 Ų84.915%0.14742%0.415CS..  trans-65.2132.9-169.3-155.6176.6177.5-100.2-41111.9A253 Y255 D259 S260 R293A253-R257 HydrophobicContact CB-CG 4.45Å; A253-R257 WeakPolarHBondContact O-CD 3.47Å; A253-R257 VanDerWaalsContact O-CG 3.23Å; A253-R257 WeakPolarHBondContact O-CG 3.42Å; A253-R257 PolarHBondContact O-NE 2.89Å; Y255-R257 PolarHBondContact O-N 2.7Å; R257-D259 WeakPolarHBondContact CD-OD1 3.36Å; R257-D259 VanDerWaalsContact CG-OD1 3.32Å; R257-D259 WeakPolarHBondContact CG-OD1 3.44Å; R257-D259 VanDerWaalsContact CZ-CG 3.48Å; R257-D259 IonicContact CZ-OD1 2.99Å; R257-D259 IonicContact CZ-OD2 2.77Å; R257-D259 IonicContact NE-OD1 2.7Å; R257-D259 IonicContact NH1-OD1 3.6Å; R257-D259 PolarHBondContact NH1-OD1 2.95Å; R257-D259 IonicContact NH1-OD2 2.67Å; R257-D259 PolarHBondContact NH1-OD2 2.73Å; R257-D259 IonicContact NH2-OD1 2.93Å; R257-D259 IonicContact NH2-OD2 3.2Å; R257-D259 PolarHBondContact NH2-OD2 3.01Å; R257-D259 PolarHBondContact O-N 2.85Å; R257-D259 VanDerWaalsContact O-N 3.1Å; R257-S260 WeakPolarHBondContact O-CB 3.32Å; R257-S260 PolarHBondContact O-N 3.47Å; R257-R293 VanDerWaalsContact NH2-NH2 3.11Å
258F83.6Confident82.3Confident113 Ų11385.3 Ų85.350%0.49642%0.418SS..THydrogen-bonded Turntrans-62.4-22.6-171.278.8-90.3000114.9K250 Y251K250-F258 HydrophobicContact CG-CD1 3.75Å; K250-F258 HydrophobicContact CG-CE1 3.75Å; Y251-F258 AromaticContact CD1-CE1 3.93Å; Y251-F258 HydrophobicContact CD1-CE1 3.93Å; Y251-F258 HydrophobicContact CD1-CZ 4.11Å; Y251-F258 AromaticContact CE1-CE1 3.73Å; Y251-F258 HydrophobicContact CE1-CE1 3.73Å; Y251-F258 AromaticContact CE1-CZ 3.43Å; Y251-F258 HydrophobicContact CE1-CZ 3.43Å; Y251-F258 VanDerWaalsContact CE1-CZ 3.43Å; Y251-F258 HydrophobicContact CG-CE1 4.46Å; Y251-F258 AromaticContact CZ-CZ 3.72Å
259D77.5Confident82.2Confident59 Ų5988.7 Ų88.732%0.31644%0.439SS..THydrogen-bonded Turntrans-91.72.3176.367-11.4000113.5R257 K261R257-D259 WeakPolarHBondContact CD-OD1 3.36Å; R257-D259 VanDerWaalsContact CG-OD1 3.32Å; R257-D259 WeakPolarHBondContact CG-OD1 3.44Å; R257-D259 VanDerWaalsContact CZ-CG 3.48Å; R257-D259 IonicContact CZ-OD1 2.99Å; R257-D259 IonicContact CZ-OD2 2.77Å; R257-D259 IonicContact NE-OD1 2.7Å; R257-D259 IonicContact NH1-OD1 3.6Å; R257-D259 PolarHBondContact NH1-OD1 2.95Å; R257-D259 IonicContact NH1-OD2 2.67Å; R257-D259 PolarHBondContact NH1-OD2 2.73Å; R257-D259 IonicContact NH2-OD1 2.93Å; R257-D259 IonicContact NH2-OD2 3.2Å; R257-D259 PolarHBondContact NH2-OD2 3.01Å; R257-D259 PolarHBondContact O-N 2.85Å; R257-D259 VanDerWaalsContact O-N 3.1Å; D259-K261 PolarHBondContact O-N 2.94Å
260S77.6Confident82Confident47 Ų4789 Ų8933%0.32945%0.447SS..  trans-58.9125.1169.8-176.20000110.3R257 R262 D264R257-S260 WeakPolarHBondContact O-CB 3.32Å; R257-S260 PolarHBondContact O-N 3.47Å; S260-R262 PolarHBondContact O-N 3.21Å; S260-R262 PolarHBondContact OG-N 3.44Å; S260-R262 PolarHBondContact OG-O 3.46Å; S260-D264 PolarHBondContact OG-OD2 2.85Å; S260-D264 VanDerWaalsContact OG-OD2 3.07Å
261K70.5Confident82Confident212 Ų21287.9 Ų87.992%0.92244%0.444SS*.SBendtrans-75.2-5171.1-63.7-59.7-174.1-175.60113D259D259-K261 PolarHBondContact O-N 2.94Å
262R71.2Confident82Confident200 Ų20088.7 Ų88.776%0.75545%0.449SS*.SBendtrans-95126.1174.3-60.8-179.1-176.5-167.60.3106.8S260 D264S260-R262 PolarHBondContact O-N 3.21Å; S260-R262 PolarHBondContact OG-N 3.44Å; S260-R262 PolarHBondContact OG-O 3.46Å; R262-D264 PolarHBondContact O-N 3.08Å; R262-D264 VanDerWaalsContact O-OD2 3.13Å
263K56.4Low81.9Confident211 Ų21189.9 Ų89.992%0.91745%0.454SS*.  trans-78.678.3-175.4-161.3-178.4-174.4-174.30108.8G265K263-G265 PolarHBondContact O-N 3.1Å
264D62.6Low81.9Confident80 Ų8089.3 Ų89.343%0.42845%0.449SS..  trans-78.657-173.4-61.4-47.5000111.3S260 R262 K266S260-D264 PolarHBondContact OG-OD2 2.85Å; S260-D264 VanDerWaalsContact OG-OD2 3.07Å; R262-D264 PolarHBondContact O-N 3.08Å; R262-D264 VanDerWaalsContact O-OD2 3.13Å; D264-K266 PolarHBondContact O-N 2.93Å
265G64.8Low82Confident80 Ų8087.2 Ų87.283%0.82544%0.439SS*.  trans-71.240170.600000112.8K263K263-G265 PolarHBondContact O-N 3.1Å
266K77.4Confident82.2Confident168 Ų16885.9 Ų85.973%0.7344%0.435SS*.SBendtrans-111.5133.2176.4-64.6179.6179.2179.10106.9D264 L268D264-K266 PolarHBondContact O-N 2.93Å; K266-L268 PolarHBondContact O-N 3.37Å
267H82Confident82.6Confident144 Ų14486 Ų8667%0.66742%0.423SS*.PPolyproline II helixtrans-58133.2171-58.4-66.9000110
268L88.8Confident83.1Confident50 Ų5084.1 Ų84.126%0.26242%0.416SS..PPolyproline II helixtrans-65.2137.1176.2-65.4179.6000109.8K266 E272 L273K266-L268 PolarHBondContact O-N 3.37Å; L268-E272 HydrophobicContact CB-CB 4.13Å; L268-E272 HydrophobicContact CD2-CB 4.2Å; L268-L273 HydrophobicContact CB-CD2 3.69Å; L268-L273 HydrophobicContact CB-CG 3.89Å; L268-L273 HydrophobicContact CD1-CD2 3.85Å; L268-L273 HydrophobicContact CG-CD2 4.38Å
269T90.9Very high83.8Confident76 Ų7678.8 Ų78.847%0.46639%0.392SS..PPolyproline II helixtrans-68159.1172.762.60000110.7H271 E272 L273T269-H271 PolarHBondContact O-N 2.89Å; T269-H271 VanDerWaalsContact O-N 3.09Å; T269-E272 VanDerWaalsContact CB-OE2 3.3Å; T269-E272 WeakPolarHBondContact CB-OE2 3.17Å; T269-E272 WeakPolarHBondContact CG2-OE2 3.18Å; T269-E272 PolarHBondContact N-OE2 2.92Å; T269-E272 PolarHBondContact O-N 3.41Å; T269-E272 VanDerWaalsContact OG1-CD 3.3Å; T269-E272 VanDerWaalsContact OG1-CG 3.31Å; T269-E272 WeakPolarHBondContact OG1-CG 3.4Å; T269-E272 PolarHBondContact OG1-N 3.46Å; T269-E272 PolarHBondContact OG1-OE2 3.34Å; T269-L273 PolarHBondContact O-N 3.25Å
270L89.6Confident84.6Confident105 Ų10576.1 Ų76.155%0.5538%0.379SS..Hα-helixtrans-52-35.8175.9-178.264.8000112.9L190 T274L190-L270 HydrophobicContact CD1-CD1 3.64Å; L270-T274 WeakPolarHBondContact O-CB 3.34Å; L270-T274 PolarHBondContact O-N 2.85Å; L270-T274 PolarHBondContact O-OG1 2.92Å
271H91.9Very high85.4Confident67 Ų6775.5 Ų75.531%0.3137%0.371SS..Hα-helixtrans-65.8-46.4175.7177.352.8000111.9T269 T274 V275 S304T269-H271 PolarHBondContact O-N 2.89Å; T269-H271 VanDerWaalsContact O-N 3.09Å; H271-T274 PolarHBondContact O-N 3.23Å; H271-V275 WeakPolarHBondContact O-CG2 3.5Å; H271-V275 PolarHBondContact O-N 3.33Å; H271-S304 PolarHBondContact CE1-OG 3.29Å; H271-S304 PolarHBondContact ND1-OG 2.78Å
272E93.1Very high86.6Confident48 Ų4865.5 Ų65.522%0.22433%0.327CS..Hα-helixtrans-65.7-40.3179.9-66.9165.3129.200111.3Y255 L268 T269 V275 N276Y255-E272 HydrophobicContact CD1-CB 4.44Å; Y255-E272 HydrophobicContact CD1-CG 3.75Å; Y255-E272 WeakPolarHBondContact CD1-OE1 3.48Å; Y255-E272 HydrophobicContact CD2-CB 3.76Å; Y255-E272 HydrophobicContact CD2-CG 3.74Å; Y255-E272 HydrophobicContact CE1-CG 4.08Å; Y255-E272 HydrophobicContact CE2-CB 4.42Å; Y255-E272 HydrophobicContact CE2-CG 4.05Å; Y255-E272 HydrophobicContact CG-CB 3.77Å; Y255-E272 HydrophobicContact CG-CG 3.57Å; L268-E272 HydrophobicContact CB-CB 4.13Å; L268-E272 HydrophobicContact CD2-CB 4.2Å; T269-E272 VanDerWaalsContact CB-OE2 3.3Å; T269-E272 WeakPolarHBondContact CB-OE2 3.17Å; T269-E272 WeakPolarHBondContact CG2-OE2 3.18Å; T269-E272 PolarHBondContact N-OE2 2.92Å; T269-E272 PolarHBondContact O-N 3.41Å; T269-E272 VanDerWaalsContact OG1-CD 3.3Å; T269-E272 VanDerWaalsContact OG1-CG 3.31Å; T269-E272 WeakPolarHBondContact OG1-CG 3.4Å; T269-E272 PolarHBondContact OG1-N 3.46Å; T269-E272 PolarHBondContact OG1-OE2 3.34Å; E272-V275 PolarHBondContact O-N 3.01Å; E272-N276 WeakPolarHBondContact O-CB 3.39Å; E272-N276 PolarHBondContact O-N 3.49Å
273L92.6Very high87.7Confident27 Ų2756 Ų5614%0.14129%0.291CS..Hα-helixtrans-59.9-46.9170.6-67.2179.7000111.9E188 L190 L268 T269 V275 N276 E277E188-L273 WeakPolarHBondContact O-CD2 3.05Å; L190-L273 HydrophobicContact CD1-CB 3.77Å; L268-L273 HydrophobicContact CB-CD2 3.69Å; L268-L273 HydrophobicContact CB-CG 3.89Å; L268-L273 HydrophobicContact CD1-CD2 3.85Å; L268-L273 HydrophobicContact CG-CD2 4.38Å; T269-L273 PolarHBondContact O-N 3.25Å; L273-V275 VanDerWaalsContact C-N 3.31Å; L273-V275 PolarHBondContact O-N 3.27Å; L273-N276 PolarHBondContact O-N 2.7Å; L273-E277 WeakPolarHBondContact O-CB 3.11Å; L273-E277 PolarHBondContact O-N 2.99Å
274T93.8Very high89.4Confident5 Ų548.4 Ų48.43%0.03126%0.263CS..Hα-helixtrans-62.6-38.5178.6-52.10000111.6L190 V198 L270 H271 A278 V307L190-T274 WeakPolarHBondContact CD1-OG1 3.23Å; V198-T274 HydrophobicContact CG2-CG2 3.89Å; L270-T274 WeakPolarHBondContact O-CB 3.34Å; L270-T274 PolarHBondContact O-N 2.85Å; L270-T274 PolarHBondContact O-OG1 2.92Å; H271-T274 PolarHBondContact O-N 3.23Å; T274-A278 VanDerWaalsContact O-CB 3.31Å; T274-A278 WeakPolarHBondContact O-CB 3.39Å; T274-A278 PolarHBondContact O-N 3Å; T274-V307 HydrophobicContact CG2-CB 4.23Å; T274-V307 HydrophobicContact CG2-CG1 4.02Å
275V95.5Very high90.7Very high0 Ų050.4 Ų50.40%027%0.267CS..Hα-helixtrans-70.5-42.2177.6170.90000111.2I254 Y255 H271 E272 L273 A278 A279 A300 S304I254-V275 HydrophobicContact CB-CG1 4.25Å; I254-V275 HydrophobicContact CD1-CG1 3.53Å; I254-V275 HydrophobicContact CG1-CG1 4.48Å; I254-V275 HydrophobicContact CG2-CG1 4.25Å; Y255-V275 HydrophobicContact CD2-CB 4.24Å; Y255-V275 HydrophobicContact CD2-CG1 4.12Å; Y255-V275 HydrophobicContact CE2-CB 3.96Å; Y255-V275 HydrophobicContact CE2-CG1 3.75Å; Y255-V275 HydrophobicContact CE2-CG2 4.35Å; H271-V275 WeakPolarHBondContact O-CG2 3.5Å; H271-V275 PolarHBondContact O-N 3.33Å; E272-V275 PolarHBondContact O-N 3.01Å; L273-V275 VanDerWaalsContact C-N 3.31Å; L273-V275 PolarHBondContact O-N 3.27Å; V275-A278 PolarHBondContact O-N 3.05Å; V275-A279 WeakPolarHBondContact O-CB 3.5Å; V275-A279 PolarHBondContact O-N 3.03Å; V275-A300 HydrophobicContact CG1-CB 4Å; V275-S304 VanDerWaalsContact CG2-CB 3.47Å
276N95.1Very high91.9Very high25 Ų2547.8 Ų47.813%0.13424%0.235CC..Hα-helixtrans-63.5-43.9176.2-79.9-1000111.8I254 Y255 E272 L273 A279 A280I254-N276 PolarHBondContact N-OD1 2.96Å; Y255-N276 PolarHBondContact N-OD1 2.94Å; Y255-N276 PolarHBondContact O-ND2 3.48Å; E272-N276 WeakPolarHBondContact O-CB 3.39Å; E272-N276 PolarHBondContact O-N 3.49Å; L273-N276 PolarHBondContact O-N 2.7Å; N276-A279 PolarHBondContact O-N 3.32Å; N276-A280 PolarHBondContact O-N 2.77Å
277E94.9Very high92.6Very high50 Ų5040.6 Ų40.623%0.23420%0.204CC..Hα-helixtrans-62.7-45.9177-175.955.9-149.400111.4L190 V198 L273 A279 A280 Q281L190-E277 HydrophobicContact CD2-CB 4.43Å; L190-E277 HydrophobicContact CD2-CG 4.4Å; V198-E277 HydrophobicContact CB-CG 4.5Å; V198-E277 HydrophobicContact CG1-CG 4.21Å; L273-E277 WeakPolarHBondContact O-CB 3.11Å; L273-E277 PolarHBondContact O-N 2.99Å; E277-A279 VanDerWaalsContact C-N 3.33Å; E277-A279 PolarHBondContact O-N 3.37Å; E277-A280 PolarHBondContact O-N 2.93Å; E277-Q281 WeakPolarHBondContact O-CG 3.5Å; E277-Q281 PolarHBondContact O-N 3.05Å; E277-Q281 PolarHBondContact OE1-NE2 3.42Å
278A96.1Very high93.1Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-60.7-41.1175.200000112.4V198 T274 V275 L282 A300 V303V198-A278 HydrophobicContact CG1-CB 3.86Å; T274-A278 VanDerWaalsContact O-CB 3.31Å; T274-A278 WeakPolarHBondContact O-CB 3.39Å; T274-A278 PolarHBondContact O-N 3Å; V275-A278 PolarHBondContact O-N 3.05Å; A278-L282 WeakPolarHBondContact O-CB 3.32Å; A278-L282 WeakPolarHBondContact O-CD1 3.23Å; A278-L282 WeakPolarHBondContact O-CG 3.35Å; A278-L282 PolarHBondContact O-N 3.33Å; A278-A300 HydrophobicContact CB-CB 4.15Å; A278-V303 HydrophobicContact CB-CB 3.82Å; A278-V303 HydrophobicContact CB-CG1 3.59Å
279A96.7Very high93.3Very high0 Ų031.5 Ų31.50%016%0.161CC..Hα-helixtrans-66.4-40.9177.900000112.4I254 V275 N276 E277 C283 L296 A300I254-A279 HydrophobicContact CD1-CB 3.71Å; I254-A279 HydrophobicContact CG1-CB 4.3Å; V275-A279 WeakPolarHBondContact O-CB 3.5Å; V275-A279 PolarHBondContact O-N 3.03Å; N276-A279 PolarHBondContact O-N 3.32Å; E277-A279 VanDerWaalsContact C-N 3.33Å; E277-A279 PolarHBondContact O-N 3.37Å; A279-C283 WeakPolarHBondContact O-CB 3.32Å; A279-C283 PolarHBondContact O-N 2.93Å; A279-C283 PolarHBondContact O-SG 3.07Å; A279-L296 HydrophobicContact CB-CD1 3.93Å; A279-L296 HydrophobicContact CB-CD2 4.41Å; A279-L296 HydrophobicContact CB-CG 4.17Å; A279-A300 HydrophobicContact CB-CB 3.85Å
280A95.4Very high93.4Very high4 Ų428 Ų283%0.03314%0.139CC..Hα-helixtrans-59.5-54.8173.700000111.8R249 S252 N276 E277 L282 C283 V284R249-A280 HydrophobicContact CG-CB 3.79Å; S252-A280 WeakPolarHBondContact OG-CA 3.43Å; N276-A280 PolarHBondContact O-N 2.77Å; E277-A280 PolarHBondContact O-N 2.93Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 3.43Å; A280-C283 PolarHBondContact O-N 2.7Å; A280-C283 VanDerWaalsContact O-N 3.1Å; A280-V284 WeakPolarHBondContact O-CG2 3.23Å; A280-V284 PolarHBondContact O-N 3.26Å
281Q95.2Very high93.5Very high34 Ų3424.4 Ų24.416%0.15912%0.122CC..Hα-helixtrans-61.2-37.8-179.1-66.4-177.915.600112.5V202 E277 V284 K285V202-Q281 HydrophobicContact CB-CB 4.35Å; V202-Q281 HydrophobicContact CG1-CB 4.02Å; V202-Q281 HydrophobicContact CG2-CB 4.07Å; E277-Q281 WeakPolarHBondContact O-CG 3.5Å; E277-Q281 PolarHBondContact O-N 3.05Å; E277-Q281 PolarHBondContact OE1-NE2 3.42Å; Q281-V284 PolarHBondContact O-N 3.22Å; Q281-K285 WeakPolarHBondContact O-CG 3.42Å; Q281-K285 PolarHBondContact O-N 2.9Å
282L94.5Very high93.5Very high1 Ų124.6 Ų24.61%0.00512%0.12CC..Hα-helixtrans-62.1-45.4173.3-77166000111.9V202 L209 A278 A280 V284 K285 D286 L289 L296 L299 A300V202-L282 HydrophobicContact CG1-CD2 4.04Å; V202-L282 HydrophobicContact CG1-CG 4.22Å; V202-L282 HydrophobicContact CG2-CD2 4.5Å; V202-L282 HydrophobicContact CG2-CG 4.19Å; L209-L282 HydrophobicContact CD1-CD2 3.99Å; A278-L282 WeakPolarHBondContact O-CB 3.32Å; A278-L282 WeakPolarHBondContact O-CD1 3.23Å; A278-L282 WeakPolarHBondContact O-CG 3.35Å; A278-L282 PolarHBondContact O-N 3.33Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 3.43Å; L282-V284 VanDerWaalsContact C-N 3.34Å; L282-V284 PolarHBondContact O-N 3.22Å; L282-K285 PolarHBondContact O-N 2.99Å; L282-D286 PolarHBondContact O-N 3.18Å; L282-L289 HydrophobicContact CB-CD1 3.94Å; L282-L296 HydrophobicContact CB-CD1 4.15Å; L282-L296 HydrophobicContact CD1-CD1 4.49Å; L282-L299 HydrophobicContact CD1-CB 3.71Å; L282-A300 HydrophobicContact CD1-CB 4.4Å
283C94.1Very high93.4Very high0 Ų026.8 Ų26.80%013%0.126CC..Hα-helixtrans-68.5-28.6178-70.10000113.7I248 A279 A280 K285 D286 N287 L290 L296I248-C283 HydrophobicContact CG2-CB 3.46Å; I248-C283 VanDerWaalsContact CG2-CB 3.46Å; A279-C283 WeakPolarHBondContact O-CB 3.32Å; A279-C283 PolarHBondContact O-N 2.93Å; A279-C283 PolarHBondContact O-SG 3.07Å; A280-C283 PolarHBondContact O-N 2.7Å; A280-C283 VanDerWaalsContact O-N 3.1Å; C283-K285 VanDerWaalsContact C-N 3.31Å; C283-D286 CarbonylContact O-C 3.52Å; C283-N287 WeakPolarHBondContact O-CA 3.31Å; C283-N287 PolarHBondContact O-N 2.99Å; C283-N287 VanDerWaalsContact O-N 3.15Å; C283-N287 PolarHBondContact O-OD1 2.97Å; C283-L290 HydrophobicContact CB-CD2 4.04Å; C283-L290 HydrophobicContact CB-CG 4.1Å; C283-L296 VanDerWaalsContact SG-CD1 3.6Å; C283-L296 VanDerWaalsContact SG-CD2 3.51Å
284V92.2Very high93.5Very high52 Ų5232.4 Ų32.432%0.31516%0.156SC..Hα-helixtrans-68.8-31.4172.3173.20000111.3E245 I248 A280 Q281 L282E245-V284 HydrophobicContact CG-CG1 4.4Å; E245-V284 HydrophobicContact CG-CG2 3.55Å; I248-V284 HydrophobicContact CB-CG2 4.39Å; I248-V284 HydrophobicContact CD1-CG2 4.24Å; I248-V284 HydrophobicContact CG2-CG2 3.81Å; A280-V284 WeakPolarHBondContact O-CG2 3.23Å; A280-V284 PolarHBondContact O-N 3.26Å; Q281-V284 PolarHBondContact O-N 3.22Å; L282-V284 VanDerWaalsContact C-N 3.34Å; L282-V284 PolarHBondContact O-N 3.22Å
285K89.9Confident93.5Very high122 Ų12235.2 Ų35.253%0.5317%0.169SC..Hα-helixtrans-82.7-36.4176.1-61-78.4177.11700112.8V202 E203 A206 Q281 L282 C283V202-K285 HydrophobicContact CG1-CG 4.28Å; E203-K285 IonicContact OE1-NZ 3.35Å; E203-K285 PolarHBondContact OE1-NZ 3.28Å; A206-K285 HydrophobicContact CB-CB 4.47Å; Q281-K285 WeakPolarHBondContact O-CG 3.42Å; Q281-K285 PolarHBondContact O-N 2.9Å; L282-K285 PolarHBondContact O-N 2.99Å; C283-K285 VanDerWaalsContact C-N 3.31Å
286D90.8Very high93.5Very high25 Ų2535.4 Ų35.413%0.13417%0.17CC..  trans-135.4100.3169.8-179.912.5000111.5S212 L282 C283 A288 L289 R292S212-D286 PolarHBondContact OG-OD2 3.24Å; L282-D286 PolarHBondContact O-N 3.18Å; C283-D286 CarbonylContact O-C 3.52Å; D286-A288 PolarHBondContact O-N 3.41Å; D286-A288 VanDerWaalsContact O-N 3.08Å; D286-A288 WeakPolarHBondContact OD1-CB 3.12Å; D286-A288 PolarHBondContact OD1-N 2.86Å; D286-L289 HydrophobicContact CB-CD1 4.2Å; D286-L289 HydrophobicContact CB-CG 4.25Å; D286-L289 WeakPolarHBondContact O-CB 3.46Å; D286-L289 PolarHBondContact O-N 3.17Å; D286-L289 VanDerWaalsContact O-N 3.11Å; D286-R292 IonicContact OD2-NH2 2.63Å; D286-R292 PolarHBondContact OD2-NH2 3.03Å; D286-R292 VanDerWaalsContact OD2-NH2 3.13Å
287N91.5Very high93.5Very high18 Ų1838 Ų3810%0.09618%0.18CC..G310 helixtrans-54.2-28.9177.1-71.4-53000112.9F235 I248 C283 L289 L290F235-N287 HydrophobicContact CD1-CB 4.23Å; F235-N287 HydrophobicContact CE1-CB 3.6Å; F235-N287 HydrophobicContact CZ-CB 4.11Å; F235-N287 VanDerWaalsContact CZ-O 3.28Å; F235-N287 WeakPolarHBondContact CZ-O 3.49Å; I248-N287 VanDerWaalsContact CD1-OD1 3.27Å; I248-N287 WeakPolarHBondContact CD1-OD1 3.44Å; C283-N287 WeakPolarHBondContact O-CA 3.31Å; C283-N287 PolarHBondContact O-N 2.99Å; C283-N287 VanDerWaalsContact O-N 3.15Å; C283-N287 PolarHBondContact O-OD1 2.97Å; N287-L289 PolarHBondContact O-N 2.75Å; N287-L290 WeakPolarHBondContact O-CB 3.38Å; N287-L290 PolarHBondContact O-N 2.69Å
288A92.1Very high93.6Very high1 Ų138.3 Ų38.31%0.00819%0.192CC..G310 helixtrans-64.2-23-178.500000113.4S212 V217 D286 L290 T291S212-A288 VanDerWaalsContact OG-CB 3.28Å; S212-A288 WeakPolarHBondContact OG-CB 3.41Å; V217-A288 HydrophobicContact CG2-CB 3.62Å; D286-A288 PolarHBondContact O-N 3.41Å; D286-A288 VanDerWaalsContact O-N 3.08Å; D286-A288 WeakPolarHBondContact OD1-CB 3.12Å; D286-A288 PolarHBondContact OD1-N 2.86Å; A288-L290 PolarHBondContact O-N 3.5Å; A288-T291 WeakPolarHBondContact O-CB 3.47Å; A288-T291 PolarHBondContact O-N 2.77Å; A288-T291 PolarHBondContact O-OG1 3.36Å
289L93.2Very high93.5Very high1 Ų139.3 Ų39.31%0.00520%0.197CC..G310 helixtrans-61.6-24.1176.5-69.6172.9000112.7L282 D286 N287 T291 R292 E295 L296 L299L282-L289 HydrophobicContact CB-CD1 3.94Å; D286-L289 HydrophobicContact CB-CD1 4.2Å; D286-L289 HydrophobicContact CB-CG 4.25Å; D286-L289 WeakPolarHBondContact O-CB 3.46Å; D286-L289 PolarHBondContact O-N 3.17Å; D286-L289 VanDerWaalsContact O-N 3.11Å; N287-L289 PolarHBondContact O-N 2.75Å; L289-T291 PolarHBondContact O-N 3.16Å; L289-R292 CarbonylContact O-C 3.21Å; L289-R292 PolarHBondContact O-N 3.07Å; L289-E295 HydrophobicContact CD2-CG 4.28Å; L289-L296 HydrophobicContact CB-CB 4.45Å; L289-L296 HydrophobicContact CB-CD1 4.2Å; L289-L296 HydrophobicContact CD1-CD1 4.45Å; L289-L299 HydrophobicContact CD1-CD1 4.39Å; L289-L299 HydrophobicContact CD2-CD1 4.04Å
290L92.9Very high93.5Very high3 Ų339.3 Ų39.32%0.01620%0.197CC..G310 helixtrans-61-25.7171.7-67172.5000113.1I231 I234 I248 C283 N287 A288I231-L290 HydrophobicContact CD1-CB 3.73Å; I234-L290 HydrophobicContact CD1-CD1 3.96Å; I234-L290 HydrophobicContact CG2-CD1 4.22Å; I248-L290 HydrophobicContact CG1-CD1 4.27Å; C283-L290 HydrophobicContact CB-CD2 4.04Å; C283-L290 HydrophobicContact CB-CG 4.1Å; N287-L290 WeakPolarHBondContact O-CB 3.38Å; N287-L290 PolarHBondContact O-N 2.69Å; A288-L290 PolarHBondContact O-N 3.5Å
291T92.1Very high93.5Very high29 Ų2944.2 Ų44.218%0.17821%0.214CC..THydrogen-bonded Turntrans-84-25.2174.271.50000112.9V217 L220 L227 I231 F235 A288 L289V217-T291 HydrophobicContact CG1-CG2 3.93Å; L220-T291 HydrophobicContact CD2-CG2 4.46Å; L227-T291 HydrophobicContact CD2-CG2 3.99Å; I231-T291 HydrophobicContact CD1-CG2 3.93Å; F235-T291 HydrophobicContact CZ-CG2 4.37Å; A288-T291 WeakPolarHBondContact O-CB 3.47Å; A288-T291 PolarHBondContact O-N 2.77Å; A288-T291 PolarHBondContact O-OG1 3.36Å; L289-T291 PolarHBondContact O-N 3.16Å
292R92.1Very high93.5Very high71 Ų7147.8 Ų47.827%0.26823%0.231SC..  trans-109.763.4-171.4-62-178.7-69.3152.4-2.5111.5S212 D286 L289 D294 E295 L296S212-R292 PolarHBondContact OG-NH2 3Å; D286-R292 IonicContact OD2-NH2 2.63Å; D286-R292 PolarHBondContact OD2-NH2 3.03Å; D286-R292 VanDerWaalsContact OD2-NH2 3.13Å; L289-R292 CarbonylContact O-C 3.21Å; L289-R292 PolarHBondContact O-N 3.07Å; R292-D294 VanDerWaalsContact C-N 3.33Å; R292-D294 PolarHBondContact O-N 3.19Å; R292-E295 HydrophobicContact CB-CB 4.13Å; R292-E295 WeakPolarHBondContact CD-OE2 3.46Å; R292-E295 IonicContact CZ-OE1 3.63Å; R292-E295 IonicContact CZ-OE2 3.64Å; R292-E295 IonicContact NE-OE2 3.89Å; R292-E295 IonicContact NH1-OE1 2.63Å; R292-E295 PolarHBondContact NH1-OE1 2.91Å; R292-E295 IonicContact NH1-OE2 3.79Å; R292-E295 PolarHBondContact NH1-OE2 2.86Å; R292-E295 IonicContact NH2-OE1 3.8Å; R292-E295 WeakPolarHBondContact O-CB 3.28Å; R292-E295 PolarHBondContact O-N 3.25Å; R292-E295 VanDerWaalsContact O-N 3.14Å; R292-L296 PolarHBondContact O-N 3.37Å
293R91.3Very high93.5Very high94 Ų9447.7 Ų47.736%0.35523%0.231SC..Hα-helixtrans-55.7-38.4-172.3-76.5-165.4175.8112.916115.4M230 R257 E295 L296 F297M230-R293 PolarHBondContact SD-NH2 3.5Å; R257-R293 VanDerWaalsContact NH2-NH2 3.11Å; R293-E295 VanDerWaalsContact C-N 3.34Å; R293-L296 PolarHBondContact O-N 3.42Å; R293-F297 WeakPolarHBondContact O-CB 3.16Å; R293-F297 PolarHBondContact O-N 2.93Å
294D93.9Very high93.6Very high145 Ų14547.7 Ų47.778%0.77523%0.231SC*.Hα-helixtrans-68.9-35.7-178.6-60-47.2000111.9R292 A298R292-D294 VanDerWaalsContact C-N 3.33Å; R292-D294 PolarHBondContact O-N 3.19Å; D294-A298 PolarHBondContact O-N 3.3Å; D294-A298 VanDerWaalsContact O-N 3.08Å
295E94.2Very high93.6Very high64 Ų6453.3 Ų53.330%0.29925%0.246SC..Hα-helixtrans-70.5-47174.2-174.5178.6160.100111.2L289 R292 R293 F297 A298 L299L289-E295 HydrophobicContact CD2-CG 4.28Å; R292-E295 HydrophobicContact CB-CB 4.13Å; R292-E295 WeakPolarHBondContact CD-OE2 3.46Å; R292-E295 IonicContact CZ-OE1 3.63Å; R292-E295 IonicContact CZ-OE2 3.64Å; R292-E295 IonicContact NE-OE2 3.89Å; R292-E295 IonicContact NH1-OE1 2.63Å; R292-E295 PolarHBondContact NH1-OE1 2.91Å; R292-E295 IonicContact NH1-OE2 3.79Å; R292-E295 PolarHBondContact NH1-OE2 2.86Å; R292-E295 IonicContact NH2-OE1 3.8Å; R292-E295 WeakPolarHBondContact O-CB 3.28Å; R292-E295 PolarHBondContact O-N 3.25Å; R292-E295 VanDerWaalsContact O-N 3.14Å; R293-E295 VanDerWaalsContact C-N 3.34Å; E295-F297 VanDerWaalsContact C-N 3.28Å; E295-F297 PolarHBondContact O-N 3.44Å; E295-A298 PolarHBondContact O-N 2.66Å; E295-A298 VanDerWaalsContact O-N 3.12Å; E295-L299 HydrophobicContact CG-CD1 4.11Å; E295-L299 WeakPolarHBondContact O-CG 3.48Å; E295-L299 PolarHBondContact O-N 3.37Å
296L95Very high93.7Very high5 Ų550 Ų503%0.02623%0.232CC..Hα-helixtrans-55.2-43.8173.4178.161.5000111.6A279 L282 C283 L289 R292 R293 L299 A300A279-L296 HydrophobicContact CB-CD1 3.93Å; A279-L296 HydrophobicContact CB-CD2 4.41Å; A279-L296 HydrophobicContact CB-CG 4.17Å; L282-L296 HydrophobicContact CB-CD1 4.15Å; L282-L296 HydrophobicContact CD1-CD1 4.49Å; C283-L296 VanDerWaalsContact SG-CD1 3.6Å; C283-L296 VanDerWaalsContact SG-CD2 3.51Å; L289-L296 HydrophobicContact CB-CB 4.45Å; L289-L296 HydrophobicContact CB-CD1 4.2Å; L289-L296 HydrophobicContact CD1-CD1 4.45Å; R292-L296 PolarHBondContact O-N 3.37Å; R293-L296 PolarHBondContact O-N 3.42Å; L296-L299 PolarHBondContact O-N 2.98Å; L296-A300 VanDerWaalsContact O-CB 3.23Å; L296-A300 WeakPolarHBondContact O-CB 3.26Å; L296-A300 PolarHBondContact O-N 3.48Å
297F96.1Very high93.6Very high78 Ų7848.9 Ų48.934%0.34223%0.227SC..Hα-helixtrans-62.2-43.9176.3-179-102.9000112.2I254 R293 E295 R301I254-F297 HydrophobicContact CD1-CD2 4.06Å; I254-F297 HydrophobicContact CG1-CD2 4.41Å; I254-F297 HydrophobicContact CG2-CD2 3.54Å; I254-F297 HydrophobicContact CG2-CE2 3.73Å; R293-F297 WeakPolarHBondContact O-CB 3.16Å; R293-F297 PolarHBondContact O-N 2.93Å; E295-F297 VanDerWaalsContact C-N 3.28Å; E295-F297 PolarHBondContact O-N 3.44Å; F297-R301 WeakPolarHBondContact O-CB 3.33Å; F297-R301 PolarHBondContact O-N 3.38Å
298A95.6Very high93.4Very high58 Ų5851.3 Ų51.348%0.47924%0.242SC..Hα-helixtrans-63-46.7177.300000112D294 E295 R301 Q302D294-A298 PolarHBondContact O-N 3.3Å; D294-A298 VanDerWaalsContact O-N 3.08Å; E295-A298 PolarHBondContact O-N 2.66Å; E295-A298 VanDerWaalsContact O-N 3.12Å; A298-R301 PolarHBondContact O-N 3.01Å; A298-Q302 WeakPolarHBondContact O-CB 3.42Å; A298-Q302 PolarHBondContact O-N 3.3Å
299L95.3Very high93Very high20 Ų2058.4 Ų58.411%0.10527%0.27CS..Hα-helixtrans-65.6-48.6179.6-67.3173.4000112.1M205 L209 L282 L289 E295 L296 R301 Q302 V303M205-L299 HydrophobicContact CE-CD2 3.82Å; L209-L299 HydrophobicContact CD1-CD1 4.29Å; L209-L299 HydrophobicContact CD2-CD1 3.79Å; L209-L299 HydrophobicContact CD2-CD2 3.83Å; L209-L299 HydrophobicContact CD2-CG 4.49Å; L282-L299 HydrophobicContact CD1-CB 3.71Å; L289-L299 HydrophobicContact CD1-CD1 4.39Å; L289-L299 HydrophobicContact CD2-CD1 4.04Å; E295-L299 HydrophobicContact CG-CD1 4.11Å; E295-L299 WeakPolarHBondContact O-CG 3.48Å; E295-L299 PolarHBondContact O-N 3.37Å; L296-L299 PolarHBondContact O-N 2.98Å; L299-R301 VanDerWaalsContact C-N 3.29Å; L299-R301 PolarHBondContact O-N 2.77Å; L299-Q302 WeakPolarHBondContact O-CB 3.32Å; L299-Q302 PolarHBondContact O-N 3.34Å; L299-Q302 VanDerWaalsContact O-N 3.1Å; L299-V303 WeakPolarHBondContact O-CG2 3.44Å; L299-V303 PolarHBondContact O-N 3.18Å
300A96.6Very high92.3Very high0 Ų060.8 Ų60.80%028%0.28CS..Hα-helixtrans-63.5-35.8178.400000112.1I254 V275 A278 A279 L282 L296 S304I254-A300 HydrophobicContact CD1-CB 3.84Å; V275-A300 HydrophobicContact CG1-CB 4Å; A278-A300 HydrophobicContact CB-CB 4.15Å; A279-A300 HydrophobicContact CB-CB 3.85Å; L282-A300 HydrophobicContact CD1-CB 4.4Å; L296-A300 VanDerWaalsContact O-CB 3.23Å; L296-A300 WeakPolarHBondContact O-CB 3.26Å; L296-A300 PolarHBondContact O-N 3.48Å; A300-S304 WeakPolarHBondContact O-CB 3.4Å; A300-S304 PolarHBondContact O-N 3.4Å
301R95.9Very high91.4Very high108 Ų10864.2 Ų64.241%0.40829%0.293SS..Hα-helixtrans-68.9-34.6173-171.2175.3-176.781.4-0.6112.4F297 A298 L299 R305F297-R301 WeakPolarHBondContact O-CB 3.33Å; F297-R301 PolarHBondContact O-N 3.38Å; A298-R301 PolarHBondContact O-N 3.01Å; L299-R301 VanDerWaalsContact C-N 3.29Å; L299-R301 PolarHBondContact O-N 2.77Å; R301-R305 VanDerWaalsContact O-CG 3.28Å; R301-R305 WeakPolarHBondContact O-CG 3.31Å; R301-R305 PolarHBondContact O-N 3.33Å; R301-R305 VanDerWaalsContact O-N 3.16Å
302Q94.5Very high90.2Very high108 Ų10866.6 Ų66.651%0.50531%0.308SS..Hα-helixtrans-63.7-51.1172173.3175-23.400111.1M205 A298 L299 S304 R305 E306M205-Q302 HydrophobicContact CE-CG 4.16Å; M205-Q302 HydrophobicContact SD-CG 4.34Å; A298-Q302 WeakPolarHBondContact O-CB 3.42Å; A298-Q302 PolarHBondContact O-N 3.3Å; L299-Q302 WeakPolarHBondContact O-CB 3.32Å; L299-Q302 PolarHBondContact O-N 3.34Å; L299-Q302 VanDerWaalsContact O-N 3.1Å; Q302-S304 PolarHBondContact O-N 2.9Å; Q302-R305 PolarHBondContact O-N 3.08Å; Q302-E306 PolarHBondContact O-N 3.37Å; Q302-E306 VanDerWaalsContact O-N 3.08Å
303V94.6Very high88.8Confident0 Ų068.7 Ų68.70%032%0.317CS..Hα-helixtrans-56.2-49.5176.2172.30000110.7V198 C201 V202 M205 A278 L299 R305 E306 V307V198-V303 HydrophobicContact CG1-CG1 4.01Å; C201-V303 HydrophobicContact CB-CG1 3.88Å; V202-V303 HydrophobicContact CG2-CG1 4.26Å; V202-V303 HydrophobicContact CG2-CG2 4.26Å; M205-V303 HydrophobicContact CE-CG2 4.33Å; M205-V303 HydrophobicContact SD-CG2 3.56Å; M205-V303 VanDerWaalsContact SD-CG2 3.56Å; A278-V303 HydrophobicContact CB-CB 3.82Å; A278-V303 HydrophobicContact CB-CG1 3.59Å; L299-V303 WeakPolarHBondContact O-CG2 3.44Å; L299-V303 PolarHBondContact O-N 3.18Å; V303-R305 VanDerWaalsContact C-N 3.29Å; V303-R305 PolarHBondContact O-N 2.94Å; V303-E306 PolarHBondContact O-N 3.14Å; V303-E306 VanDerWaalsContact O-N 3.09Å; V303-V307 HydrophobicContact CG1-CG2 4.01Å; V303-V307 WeakPolarHBondContact O-CB 3.3Å; V303-V307 VanDerWaalsContact O-CG2 3.3Å; V303-V307 WeakPolarHBondContact O-CG2 3.35Å; V303-V307 PolarHBondContact O-N 3.43Å
304S94.9Very high87.5Confident0 Ų070.8 Ų70.80%033%0.325CS..Hα-helixtrans-58.3-37.8179.7178.60000113.3H271 V275 A300 Q302 T308H271-S304 PolarHBondContact CE1-OG 3.29Å; H271-S304 PolarHBondContact ND1-OG 2.78Å; V275-S304 VanDerWaalsContact CG2-CB 3.47Å; A300-S304 WeakPolarHBondContact O-CB 3.4Å; A300-S304 PolarHBondContact O-N 3.4Å; Q302-S304 PolarHBondContact O-N 2.9Å; S304-T308 VanDerWaalsContact O-CB 3.32Å; S304-T308 WeakPolarHBondContact O-CB 3.28Å; S304-T308 PolarHBondContact O-N 3.05Å; S304-T308 PolarHBondContact O-OG1 2.96Å
305R93.6Very high85.8Confident169 Ų16966.2 Ų66.264%0.63830%0.302SS*.Hα-helixtrans-67.5-41.4175.3-70.7176.686.5-114.71.2112.1R301 Q302 V303 Y309R301-R305 VanDerWaalsContact O-CG 3.28Å; R301-R305 WeakPolarHBondContact O-CG 3.31Å; R301-R305 PolarHBondContact O-N 3.33Å; R301-R305 VanDerWaalsContact O-N 3.16Å; Q302-R305 PolarHBondContact O-N 3.08Å; V303-R305 VanDerWaalsContact C-N 3.29Å; V303-R305 PolarHBondContact O-N 2.94Å; R305-Y309 WeakPolarHBondContact O-CB 3.5Å; R305-Y309 PolarHBondContact O-N 3.16Å; R305-Y309 VanDerWaalsContact O-N 3.1Å
306E90.9Very high84Confident52 Ų5267.4 Ų67.424%0.24331%0.314CS..Hα-helixtrans-66.1-45.5176.8-162-165.4148.800111.5C201 R204 Q302 V303 Y309 K310C201-E306 VanDerWaalsContact SG-CD 3.57Å; R204-E306 IonicContact CZ-OE1 2.69Å; R204-E306 IonicContact CZ-OE2 3.07Å; R204-E306 IonicContact NH1-OE1 3.35Å; R204-E306 PolarHBondContact NH1-OE1 3.01Å; R204-E306 IonicContact NH1-OE2 2.75Å; R204-E306 PolarHBondContact NH1-OE2 2.82Å; R204-E306 IonicContact NH2-OE1 3.5Å; R204-E306 PolarHBondContact NH2-OE1 2.98Å; R204-E306 IonicContact NH2-OE2 3.17Å; Q302-E306 PolarHBondContact O-N 3.37Å; Q302-E306 VanDerWaalsContact O-N 3.08Å; V303-E306 PolarHBondContact O-N 3.14Å; V303-E306 VanDerWaalsContact O-N 3.09Å; E306-Y309 PolarHBondContact O-N 3.48Å; E306-K310 HydrophobicContact CG-CD 4.29Å; E306-K310 WeakPolarHBondContact O-CB 3.36Å; E306-K310 PolarHBondContact O-N 3.02Å; E306-K310 WeakPolarHBondContact OE1-CE 3.26Å; E306-K310 IonicContact OE1-NZ 3.39Å; E306-K310 PolarHBondContact OE1-NZ 2.81Å
307V90Very high81.8Confident3 Ų375.2 Ų75.22%0.01834%0.343CS..Hα-helixtrans-61.1-48178171.30000110.9V198 C201 T274 V303 Y309 K310 Y311V198-V307 HydrophobicContact CB-CG2 4.36Å; V198-V307 HydrophobicContact CG2-CB 4.5Å; V198-V307 HydrophobicContact CG2-CG1 4.1Å; V198-V307 HydrophobicContact CG2-CG2 3.9Å; C201-V307 HydrophobicContact CB-CG2 4.35Å; T274-V307 HydrophobicContact CG2-CB 4.23Å; T274-V307 HydrophobicContact CG2-CG1 4.02Å; V303-V307 HydrophobicContact CG1-CG2 4.01Å; V303-V307 WeakPolarHBondContact O-CB 3.3Å; V303-V307 VanDerWaalsContact O-CG2 3.3Å; V303-V307 WeakPolarHBondContact O-CG2 3.35Å; V303-V307 PolarHBondContact O-N 3.43Å; V307-Y309 VanDerWaalsContact C-N 3.31Å; V307-Y309 PolarHBondContact O-N 3.17Å; V307-K310 PolarHBondContact O-N 3.07Å; V307-Y311 WeakPolarHBondContact O-CB 3.1Å; V307-Y311 PolarHBondContact O-N 3.1Å
308T86.4Confident79.6Confident68 Ų6877.8 Ų77.842%0.41736%0.359SS..Hα-helixtrans-60.6-43.5178.5-58.80000110.8S304 T312S304-T308 VanDerWaalsContact O-CB 3.32Å; S304-T308 WeakPolarHBondContact O-CB 3.28Å; S304-T308 PolarHBondContact O-N 3.05Å; S304-T308 PolarHBondContact O-OG1 2.96Å; T308-T312 VanDerWaalsContact O-CB 3.32Å; T308-T312 WeakPolarHBondContact O-CB 3.28Å; T308-T312 PolarHBondContact O-N 3.43Å; T308-T312 PolarHBondContact O-OG1 3.43Å; T308-T312 VanDerWaalsContact O-OG1 3.05Å
309Y84.8Confident77.2Confident150 Ų15083.1 Ų83.159%0.58837%0.372SS*.Hα-helixtrans-61.6-50.6176.8-177.8-99.4000112.4R305 E306 V307 Y313R305-Y309 WeakPolarHBondContact O-CB 3.5Å; R305-Y309 PolarHBondContact O-N 3.16Å; R305-Y309 VanDerWaalsContact O-N 3.1Å; E306-Y309 PolarHBondContact O-N 3.48Å; V307-Y309 VanDerWaalsContact C-N 3.31Å; V307-Y309 PolarHBondContact O-N 3.17Å; Y309-Y313 WeakPolarHBondContact O-CB 3.49Å; Y309-Y313 PolarHBondContact O-N 3.43Å
310K77.1Confident74.6Confident52 Ų5287.7 Ų87.723%0.22640%0.404CS..Hα-helixtrans-63.7-45.8179-79.6178.7164.6176.60112.3E200 E306 V307 Y313 R314E200-K310 IonicContact OE1-NZ 2.83Å; E200-K310 PolarHBondContact OE1-NZ 3.1Å; E306-K310 HydrophobicContact CG-CD 4.29Å; E306-K310 WeakPolarHBondContact O-CB 3.36Å; E306-K310 PolarHBondContact O-N 3.02Å; E306-K310 WeakPolarHBondContact OE1-CE 3.26Å; E306-K310 IonicContact OE1-NZ 3.39Å; E306-K310 PolarHBondContact OE1-NZ 2.81Å; V307-K310 PolarHBondContact O-N 3.07Å; K310-Y313 PolarHBondContact O-N 3.24Å; K310-R314 WeakPolarHBondContact O-CB 3.28Å; K310-R314 WeakPolarHBondContact O-CG 3.32Å; K310-R314 PolarHBondContact O-N 2.91Å
311Y73.8Confident72.1Confident74 Ų7491.1 Ų91.129%0.2944%0.44SS..Hα-helixtrans-63.9-54.5-178.2-173.3-98000110.6D191 A193 A194 V307 Y313 R314 T315D191-Y311 PolarHBondContact OD2-OH 2.98Å; A193-Y311 HydrophobicContact CB-CE2 4.14Å; A194-Y311 HydrophobicContact CB-CD2 4.15Å; A194-Y311 HydrophobicContact CB-CE2 3.97Å; V307-Y311 WeakPolarHBondContact O-CB 3.1Å; V307-Y311 PolarHBondContact O-N 3.1Å; Y311-Y313 VanDerWaalsContact C-N 3.31Å; Y311-Y313 PolarHBondContact O-N 2.88Å; Y311-R314 PolarHBondContact O-N 3.44Å; Y311-T315 PolarHBondContact O-N 3.16Å; Y311-T315 PolarHBondContact O-OG1 2.94Å
312T68.1Low69.4Low79 Ų7993.6 Ų93.649%0.48546%0.456SS..Hα-helixtrans-59.7-39.9177.8-580000112.2T308 T315 T316T308-T312 VanDerWaalsContact O-CB 3.32Å; T308-T312 WeakPolarHBondContact O-CB 3.28Å; T308-T312 PolarHBondContact O-N 3.43Å; T308-T312 PolarHBondContact O-OG1 3.43Å; T308-T312 VanDerWaalsContact O-OG1 3.05Å; T312-T315 PolarHBondContact O-N 3.25Å; T312-T316 WeakPolarHBondContact O-CG2 3.47Å; T312-T316 PolarHBondContact O-N 2.95Å; T312-T316 VanDerWaalsContact O-N 3.08Å; T312-T316 PolarHBondContact O-OG1 2.9Å
313Y63.2Low66.6Low115 Ų11597.8 Ų97.845%0.45147%0.467SS..Hα-helixtrans-66.8-39.5177.2-175-101.6000113.1Y309 K310 Y311 T316 R317Y309-Y313 WeakPolarHBondContact O-CB 3.49Å; Y309-Y313 PolarHBondContact O-N 3.43Å; K310-Y313 PolarHBondContact O-N 3.24Å; Y311-Y313 VanDerWaalsContact C-N 3.31Å; Y311-Y313 PolarHBondContact O-N 2.88Å; Y313-T316 PolarHBondContact O-OG1 3.39Å; Y313-T316 VanDerWaalsContact O-OG1 3.07Å; Y313-R317 HydrophobicContact CE1-CG 4.42Å; Y313-R317 WeakPolarHBondContact O-CG 3.34Å; Y313-R317 PolarHBondContact O-N 3.21Å; Y313-R317 PolarHBondContact OH-NE 3.29Å; Y313-R317 PolarHBondContact OH-NH2 2.86Å
314R62.6Low64.3Low139 Ų139104.9 Ų104.953%0.52551%0.505SS..Hα-helixtrans-66.9-41.9174.3-73.2-174.6-174.7-174.210.1111.4E200 K310 Y311 T316 R317 L318E200-R314 IonicContact OE2-NH2 2.69Å; K310-R314 WeakPolarHBondContact O-CB 3.28Å; K310-R314 WeakPolarHBondContact O-CG 3.32Å; K310-R314 PolarHBondContact O-N 2.91Å; Y311-R314 PolarHBondContact O-N 3.44Å; R314-T316 PolarHBondContact O-N 3.47Å; R314-R317 PolarHBondContact O-N 3.36Å; R314-L318 WeakPolarHBondContact O-CG 3.39Å; R314-L318 PolarHBondContact O-N 3.31Å
315T58.5Low61.9Low49 Ų49112.5 Ų112.530%0.30154%0.54SS..Hα-helixtrans-61.7-40177.5-52.80000112.8Y311 T312 L318 K319Y311-T315 PolarHBondContact O-N 3.16Å; Y311-T315 PolarHBondContact O-OG1 2.94Å; T312-T315 PolarHBondContact O-N 3.25Å; T315-L318 PolarHBondContact O-N 2.98Å; T315-K319 HydrophobicContact CG2-CD 4.32Å; T315-K319 WeakPolarHBondContact O-CG 3.43Å; T315-K319 PolarHBondContact O-N 2.79Å; T315-K319 VanDerWaalsContact O-N 3.1Å
316T55.9Low59.3Low88 Ų88112.1 Ų112.154%0.5455%0.55SS.*Hα-helixtrans-71.4-28.7178.8540000113.3T312 Y313 R314T312-T316 WeakPolarHBondContact O-CG2 3.47Å; T312-T316 PolarHBondContact O-N 2.95Å; T312-T316 VanDerWaalsContact O-N 3.08Å; T312-T316 PolarHBondContact O-OG1 2.9Å; Y313-T316 PolarHBondContact O-OG1 3.39Å; Y313-T316 VanDerWaalsContact O-OG1 3.07Å; R314-T316 PolarHBondContact O-N 3.47Å
317R49.1Very low56.8Low169 Ų169114.9 Ų114.964%0.63858%0.575SS**Hα-helixtrans-70.5-43.6171.3-72.6-72.9-173.7165.4-0.2112.3Y313 R314 C320Y313-R317 HydrophobicContact CE1-CG 4.42Å; Y313-R317 WeakPolarHBondContact O-CG 3.34Å; Y313-R317 PolarHBondContact O-N 3.21Å; Y313-R317 PolarHBondContact OH-NE 3.29Å; Y313-R317 PolarHBondContact OH-NH2 2.86Å; R314-R317 PolarHBondContact O-N 3.36Å; R317-C320 WeakPolarHBondContact O-CB 3.3Å; R317-C320 PolarHBondContact O-N 3.32Å
318L51Low54.6Low132 Ų132120.2 Ų120.269%0.69161%0.61SS**Hα-helixtrans-69.6-35.8-178.1-71.2166.7000113R314 T315 C320 G321R314-L318 WeakPolarHBondContact O-CG 3.39Å; R314-L318 PolarHBondContact O-N 3.31Å; T315-L318 PolarHBondContact O-N 2.98Å; L318-C320 PolarHBondContact O-N 2.9Å; L318-C320 VanDerWaalsContact O-N 3.08Å; L318-G321 PolarHBondContact O-N 2.92Å; L318-G321 VanDerWaalsContact O-N 3.11Å
319K44.5Very low52Low170 Ų170126.5 Ų126.574%0.73963%0.631SS**THydrogen-bonded Turntrans-67.1-4.3174.3-74-174176.3-174.20114.7T315T315-K319 HydrophobicContact CG2-CD 4.32Å; T315-K319 WeakPolarHBondContact O-CG 3.43Å; T315-K319 PolarHBondContact O-N 2.79Å; T315-K319 VanDerWaalsContact O-N 3.1Å
320C40.8Very low49.7Very low117 Ų117130.9 Ų130.979%0.79165%0.647SS**THydrogen-bonded Turntrans-95.25.8173.7-162.10000113.1R317 L318R317-C320 WeakPolarHBondContact O-CB 3.3Å; R317-C320 PolarHBondContact O-N 3.32Å; L318-C320 PolarHBondContact O-N 2.9Å; L318-C320 VanDerWaalsContact O-N 3.08Å
321G43.6Very low48Very low72 Ų72135.5 Ų135.574%0.74267%0.672SS**SBendtrans-122.3-6.2-178.300000116.1L318L318-G321 PolarHBondContact O-N 2.92Å; L318-G321 VanDerWaalsContact O-N 3.11Å
322E40.6Very low46.4Very low159 Ų159139.6 Ų139.674%0.74369%0.692SS**SBendtrans-147.169.8-172.7-149-83.3127.900110.3
323R35.5Very low45Very low197 Ų197143.3 Ų143.374%0.74371%0.707SS**  trans177.291.3142.1-159.3-172.4-47.3-105.6-4.8109.3
324D44.6Very low43.5Very low149 Ų149144.2 Ų144.280%0.79772%0.716SS**  trans-77.7161.4142.1-158.1-3.9000107.7
325E45.9Very low42.2Very low159 Ų159145.4 Ų145.474%0.74373%0.732SS**  trans64.179.9-170.1-52.3-149.1123.500114.7
326L38.5Very low41Very low162 Ų162146.5 Ų146.585%0.84875%0.753SS**  -162.888.2100.9-91.2-176.2000108.6P328L326-P328 WeakPolarHBondContact O-CD 3.49Å
327S38.9Very low40Very low109 Ų109151.3 Ų151.376%0.76277%0.767SS**  trans-77.9135.6174.2-77.10000111.8
328P42.2Very low39.7Very low115 Ų115148.9 Ų148.975%0.74777%0.773SS**  trans-132.875.5151.936.7-21.8000112.6L326L326-P328 WeakPolarHBondContact O-CD 3.49Å
329K32.6Very low39.3Very low200 Ų200147.8 Ų147.887%0.8777%0.768SS**  159.6105.3113.6-84.8163.5-177.3177.60112I331K329-I331 PolarHBondContact O-N 2.89Å
330R36.5Very low39.1Very low242 Ų242148.2 Ų148.291%0.91377%0.77SS**  trans-67.9117170-167.4-177.5-156.1163.15.9109.3
331I40.8Very low39.3Very low149 Ų149151.1 Ų151.176%0.76477%0.772SS**  trans-74.2124.2156.9-71.8177.5000106.4K329 I333K329-I331 PolarHBondContact O-N 2.89Å; I331-I333 HydrophobicContact CG2-CG1 4.39Å; I331-I333 PolarHBondContact O-N 3.31Å
332K40.6Very low39.1Very low161 Ų161155.5 Ų155.570%0.777%0.773SS**  trans-74.5107.4176.3-173.8-177.6179.1-1630108.4E334K332-E334 WeakPolarHBondContact CE-OE2 3.46Å; K332-E334 IonicContact NZ-OE2 2.64Å; K332-E334 PolarHBondContact NZ-OE2 3.09Å
333I38Very low39.2Very low157 Ų157151.1 Ų151.181%0.80576%0.76SS**  trans-107.8125.2156.4-61.7178.2000105.4I331I331-I333 HydrophobicContact CG2-CG1 4.39Å; I331-I333 PolarHBondContact O-N 3.31Å
334E32.6Very low39.8Very low134 Ų134147.4 Ų147.463%0.62676%0.759SS**  trans-103.9145.9179.6-160.8167.9159.100108.9K332K332-E334 WeakPolarHBondContact CE-OE2 3.46Å; K332-E334 IonicContact NZ-OE2 2.64Å; K332-E334 PolarHBondContact NZ-OE2 3.09Å
335D36.3Very low40.2Very low164 Ų164144.9 Ų144.988%0.87775%0.751SS**  trans64.1130.4174.8-90.4-29000121.1
336G32.7Very low40.4Very low71 Ų71141.7 Ų141.773%0.73274%0.742SS**  trans136.944.2172.800000117.3
337F34.7Very low40.9Very low189 Ų189139.5 Ų139.583%0.82973%0.731SS**  trans-67.9143.5160.2-97.8-92.1000109.5
338P42Very low41.6Very low119 Ų119142 Ų14277%0.77373%0.728SS**  -124.1160.487.236.8-31.8000114.7
339D43.3Very low42.3Very low109 Ų109143.7 Ų143.758%0.58373%0.726SS**  trans-68.1148.2-176.3-171.47.3000113.1Q341D339-Q341 WeakPolarHBondContact OD1-CB 3.47Å; D339-Q341 PolarHBondContact OD1-N 3.1Å
340F40.9Very low43.2Very low178 Ų178139.7 Ų139.778%0.78171%0.71SS**  trans-147.837.4167.4-107.1-73.6000112.4E342F340-E342 PolarHBondContact O-N 2.86Å
341Q43.7Very low44Very low179 Ų179131 Ų13184%0.83669%0.69SS**  trans-73.542.4169.5-159.4179.7-52.500113.1D339D339-Q341 WeakPolarHBondContact OD1-CB 3.47Å; D339-Q341 PolarHBondContact OD1-N 3.1Å
342E40.3Very low44.6Very low164 Ų164132 Ų13277%0.76669%0.685SS**  trans-155.784.7175.7-123.4179.3-148.100112.2F340F340-E342 PolarHBondContact O-N 2.86Å
343S43.2Very low45.3Very low67 Ų67127 Ų12747%0.46967%0.673SS.*  trans-154.1-21.9173.257.60000116T346 L347S343-T346 PolarHBondContact O-N 3.04Å; S343-L347 WeakPolarHBondContact O-CB 3.45Å; S343-L347 PolarHBondContact O-N 2.85Å
344V46.6Very low45.8Very low119 Ų119125.3 Ų125.372%0.72166%0.66SS**Hα-helixtrans-63.8-42.3179.1-1720000113.3F348V344-F348 PolarHBondContact O-N 3.13Å
345P52.9Low46.8Very low95 Ų95122 Ų12262%0.61765%0.652SS**Hα-helixtrans-64.7-41.6176.4-19.732.9000112.1F348 Q349P345-F348 PolarHBondContact O-N 3.2Å; P345-Q349 PolarHBondContact O-N 3.09Å; P345-Q349 VanDerWaalsContact O-N 3.1Å
346T50.2Low47.6Very low93 Ų93120.9 Ų120.957%0.57164%0.641SS**Hα-helixtrans-66-40.9-177.5-160000111.6S343 Q349 Q350S343-T346 PolarHBondContact O-N 3.04Å; T346-Q349 PolarHBondContact O-N 3.39Å; T346-Q350 VanDerWaalsContact O-CB 3.32Å; T346-Q350 WeakPolarHBondContact O-CB 3.45Å; T346-Q350 PolarHBondContact O-N 2.96Å
347L50.8Low48.5Very low116 Ų116124 Ų12461%0.60764%0.637SS**Hα-helixtrans-66.5-38.1178.1-169.366.8000112.1S343 A351S343-L347 WeakPolarHBondContact O-CB 3.45Å; S343-L347 PolarHBondContact O-N 2.85Å; L347-A351 WeakPolarHBondContact O-CB 3.45Å; L347-A351 PolarHBondContact O-N 3.18Å
348F53.3Low49.2Very low162 Ų162120.8 Ų120.871%0.71163%0.628SS**Hα-helixtrans-68.6-39176.8-162.7-97.7000111.9V344 P345 A351 R352V344-F348 PolarHBondContact O-N 3.13Å; P345-F348 PolarHBondContact O-N 3.2Å; F348-A351 PolarHBondContact O-N 2.92Å; F348-R352 PolarHBondContact O-N 2.74Å
349Q56.8Low49.6Very low150 Ų150118.3 Ų118.370%0.70162%0.617SS**Hα-helixtrans-71.2-37.1177.3-161.1155.783.800112.1P345 T346 R352 A353P345-Q349 PolarHBondContact O-N 3.09Å; P345-Q349 VanDerWaalsContact O-N 3.1Å; T346-Q349 PolarHBondContact O-N 3.39Å; Q349-R352 PolarHBondContact O-N 3.06Å; Q349-A353 PolarHBondContact O-N 3.41Å
350Q50.5Low49.8Very low115 Ų115115.4 Ų115.454%0.53761%0.613SS.*Hα-helixtrans-68.3-34.5173.2-166.4179.155.600112.6T346 K354T346-Q350 VanDerWaalsContact O-CB 3.32Å; T346-Q350 WeakPolarHBondContact O-CB 3.45Å; T346-Q350 PolarHBondContact O-N 2.96Å; Q350-K354 WeakPolarHBondContact O-CB 3.48Å; Q350-K354 WeakPolarHBondContact O-CG 3.35Å; Q350-K354 PolarHBondContact O-N 3.39Å
351A53.3Low50Low59 Ų59111.7 Ų111.749%0.48860%0.601SS.*Hα-helixtrans-65.6-38.1171.600000112L347 F348 S355L347-A351 WeakPolarHBondContact O-CB 3.45Å; L347-A351 PolarHBondContact O-N 3.18Å; F348-A351 PolarHBondContact O-N 2.92Å; A351-S355 PolarHBondContact O-N 3.29Å
352R54.8Low49.9Very low172 Ų172105 Ų10565%0.64958%0.58SS**Hα-helixtrans-66.2-48176.3-148-177.2-162.8-170.25.5111.8F348 Q349 K354 S355 E356F348-R352 PolarHBondContact O-N 2.74Å; Q349-R352 PolarHBondContact O-N 3.06Å; R352-K354 VanDerWaalsContact C-N 3.34Å; R352-K354 PolarHBondContact O-N 3.02Å; R352-S355 WeakPolarHBondContact O-CB 3.41Å; R352-S355 PolarHBondContact O-N 3.06Å; R352-S355 PolarHBondContact O-OG 3.23Å; R352-E356 PolarHBondContact O-N 2.85Å
353A53.5Low50.3Low56 Ų56100.2 Ų100.246%0.46357%0.565SS.*Hα-helixtrans-59.4-42.3176.100000112.5Q349 S355 E356 E357Q349-A353 PolarHBondContact O-N 3.41Å; A353-S355 VanDerWaalsContact C-N 3.27Å; A353-S355 PolarHBondContact O-N 3.15Å; A353-E356 PolarHBondContact O-N 3.08Å; A353-E357 PolarHBondContact O-N 3.18Å
354K50.3Low50.4Low121 Ų121103.9 Ų103.953%0.52657%0.574SS.*Hα-helixtrans-65.7-26.5174.2-78-176.5173.5-179.90113.7Q350 R352 L358Q350-K354 WeakPolarHBondContact O-CB 3.48Å; Q350-K354 WeakPolarHBondContact O-CG 3.35Å; Q350-K354 PolarHBondContact O-N 3.39Å; R352-K354 VanDerWaalsContact C-N 3.34Å; R352-K354 PolarHBondContact O-N 3.02Å; K354-L358 WeakPolarHBondContact O-CB 3.29Å; K354-L358 PolarHBondContact O-N 2.84Å; K354-L358 VanDerWaalsContact O-N 3.16Å
355S53.4Low50.4Low65 Ų65101.3 Ų101.346%0.45557%0.566SS.*Hα-helixtrans-72.9-34175.875.70000112.8A351 R352 A353 A359A351-S355 PolarHBondContact O-N 3.29Å; R352-S355 WeakPolarHBondContact O-CB 3.41Å; R352-S355 PolarHBondContact O-N 3.06Å; R352-S355 PolarHBondContact O-OG 3.23Å; A353-S355 VanDerWaalsContact C-N 3.27Å; A353-S355 PolarHBondContact O-N 3.15Å; S355-A359 PolarHBondContact O-N 3.04Å; S355-A359 VanDerWaalsContact O-N 3.09Å
356E52.9Low50.2Low139 Ų139103.8 Ų103.865%0.6557%0.569SS**Hα-helixtrans-72.7-37.1175.8-68.9175.3150.500111.4R352 A353 A359 G360R352-E356 PolarHBondContact O-N 2.85Å; A353-E356 PolarHBondContact O-N 3.08Å; E356-A359 PolarHBondContact O-N 3.06Å; E356-G360 PolarHBondContact O-N 2.75Å
357E50.3Low50.4Low136 Ų136106.2 Ų106.264%0.63657%0.572SS**Hα-helixtrans-64.2-40.9173.4-162.3-179.5-166.200112.2A353 G360 L361A353-E357 PolarHBondContact O-N 3.18Å; E357-G360 PolarHBondContact O-N 3.35Å; E357-L361 PolarHBondContact O-N 3.22Å
358L49.2Very low50.4Low123 Ų123102.5 Ų102.564%0.64456%0.561SS**Hα-helixtrans-67.8-33.9175.9-111.6147.4000113.3K354 G360 L361 G362K354-L358 WeakPolarHBondContact O-CB 3.29Å; K354-L358 PolarHBondContact O-N 2.84Å; K354-L358 VanDerWaalsContact O-N 3.16Å; L358-G360 VanDerWaalsContact C-N 3.32Å; L358-L361 PolarHBondContact O-N 3.06Å; L358-G362 PolarHBondContact O-N 2.86Å; L358-G362 VanDerWaalsContact O-N 3.09Å
359A51Low50.3Low67 Ų67100.8 Ų100.855%0.55456%0.557SS**Hα-helixtrans-65.2-35.8173.900000112.2S355 E356S355-A359 PolarHBondContact O-N 3.04Å; S355-A359 VanDerWaalsContact O-N 3.09Å; E356-A359 PolarHBondContact O-N 3.06Å
360G47.1Very low50.2Low48 Ų4896.2 Ų96.250%0.49555%0.545SS..Hα-helixtrans-63.6-41.7172.900000113.2E356 E357 L358 S363E356-G360 PolarHBondContact O-N 2.75Å; E357-G360 PolarHBondContact O-N 3.35Å; L358-G360 VanDerWaalsContact C-N 3.32Å; G360-S363 PolarHBondContact O-N 3.21Å
361L46.3Very low50.7Low100 Ų10097.6 Ų97.652%0.52455%0.549SS..Hα-helixtrans-72.3-33.8-179.7-69.9169.8000113.4E357 L358 S363 Q364 A365E357-L361 PolarHBondContact O-N 3.22Å; L358-L361 PolarHBondContact O-N 3.06Å; L361-S363 PolarHBondContact O-N 3.37Å; L361-Q364 PolarHBondContact O-N 2.8Å; L361-A365 PolarHBondContact O-N 2.96Å
362G41.3Very low50.7Low39 Ų39100.8 Ų100.840%0.40255%0.554SS.*Hα-helixtrans-55.3-41.2174.200000112.6L358 Q364 A365 E366L358-G362 PolarHBondContact O-N 2.86Å; L358-G362 VanDerWaalsContact O-N 3.09Å; G362-Q364 PolarHBondContact O-N 2.66Å; G362-Q364 VanDerWaalsContact O-N 3.13Å; G362-A365 PolarHBondContact O-N 2.96Å; G362-E366 PolarHBondContact O-N 2.93Å; G362-E366 VanDerWaalsContact O-N 3.08Å
363S48.8Very low50.7Low63 Ų6398.1 Ų98.144%0.44155%0.55SS.*Hα-helixtrans-64.7-14.4177.6-64.60000114.6G360 L361 K367G360-S363 PolarHBondContact O-N 3.21Å; L361-S363 PolarHBondContact O-N 3.37Å; S363-K367 VanDerWaalsContact O-CD 3.23Å; S363-K367 WeakPolarHBondContact O-CD 3.34Å; S363-K367 WeakPolarHBondContact O-CE 3.3Å; S363-K367 VanDerWaalsContact O-CG 3.3Å; S363-K367 WeakPolarHBondContact O-CG 3.31Å
364Q44.2Very low51.3Low143 Ų143102 Ų10267%0.66856%0.559SS**Hα-helixtrans-97.2-37.1176.8-163178.2-2.900111.9L361 G362 K367 G368L361-Q364 PolarHBondContact O-N 2.8Å; G362-Q364 PolarHBondContact O-N 2.66Å; G362-Q364 VanDerWaalsContact O-N 3.13Å; Q364-K367 PolarHBondContact O-N 3.25Å; Q364-G368 PolarHBondContact O-N 3.33Å; Q364-G368 VanDerWaalsContact O-N 3.14Å
365A46.7Very low51.8Low66 Ų66102.1 Ų102.155%0.54557%0.565SS.*Hα-helixtrans-64.7-41173.700000111.9L361 G362 K367 G368 M369L361-A365 PolarHBondContact O-N 2.96Å; G362-A365 PolarHBondContact O-N 2.96Å; A365-K367 VanDerWaalsContact C-N 3.34Å; A365-K367 PolarHBondContact O-N 3.09Å; A365-G368 WeakPolarHBondContact O-CA 3.41Å; A365-G368 PolarHBondContact O-N 2.67Å; A365-G368 VanDerWaalsContact O-N 3.08Å; A365-M369 PolarHBondContact O-N 3.05Å
366E50.4Low52.3Low146 Ų146104.1 Ų104.168%0.68257%0.569SS**Hα-helixtrans-64.3-37.7177.6-162.6172.6-147.800112G362 G368 M369 A370G362-E366 PolarHBondContact O-N 2.93Å; G362-E366 VanDerWaalsContact O-N 3.08Å; E366-G368 VanDerWaalsContact C-N 3.31Å; E366-G368 PolarHBondContact O-N 2.93Å; E366-M369 PolarHBondContact O-N 2.99Å; E366-A370 WeakPolarHBondContact O-CB 3.21Å; E366-A370 PolarHBondContact O-N 2.96Å
367K52.6Low52.8Low145 Ų145101.7 Ų101.763%0.6357%0.567SS**Hα-helixtrans-67.6-27.7172.1-71.1173.9-171.8170.60113.3S363 Q364 A365 K371S363-K367 VanDerWaalsContact O-CD 3.23Å; S363-K367 WeakPolarHBondContact O-CD 3.34Å; S363-K367 WeakPolarHBondContact O-CE 3.3Å; S363-K367 VanDerWaalsContact O-CG 3.3Å; S363-K367 WeakPolarHBondContact O-CG 3.31Å; Q364-K367 PolarHBondContact O-N 3.25Å; A365-K367 VanDerWaalsContact C-N 3.34Å; A365-K367 PolarHBondContact O-N 3.09Å; K367-K371 WeakPolarHBondContact O-CG 3.41Å; K367-K371 PolarHBondContact O-N 3.35Å
368G51.2Low53.5Low38 Ų3897.5 Ų97.539%0.39256%0.556SS.*Hα-helixtrans-69.3-50.5171.800000111.8Q364 A365 E366 A370 K371 Q372Q364-G368 PolarHBondContact O-N 3.33Å; Q364-G368 VanDerWaalsContact O-N 3.14Å; A365-G368 WeakPolarHBondContact O-CA 3.41Å; A365-G368 PolarHBondContact O-N 2.67Å; A365-G368 VanDerWaalsContact O-N 3.08Å; E366-G368 VanDerWaalsContact C-N 3.31Å; E366-G368 PolarHBondContact O-N 2.93Å; G368-A370 PolarHBondContact O-N 3.06Å; G368-K371 PolarHBondContact O-N 3.39Å; G368-Q372 PolarHBondContact O-N 2.94Å
369M51.9Low53.9Low125 Ų12596.9 Ų96.962%0.61655%0.55SS*.Hα-helixtrans-58.9-43.8174.9-78.5-87.1-77.600112.2A365 E366 K371 Q372 M373A365-M369 PolarHBondContact O-N 3.05Å; E366-M369 PolarHBondContact O-N 2.99Å; M369-K371 PolarHBondContact O-N 2.79Å; M369-Q372 PolarHBondContact O-N 3.48Å; M369-M373 WeakPolarHBondContact O-CB 3.21Å; M369-M373 PolarHBondContact O-N 2.99Å
370A55.1Low54.4Low54 Ų5495.8 Ų95.845%0.44654%0.541SS..Hα-helixtrans-60.2-45.9176.800000112.2E366 G368 Q372 M373 E374E366-A370 WeakPolarHBondContact O-CB 3.21Å; E366-A370 PolarHBondContact O-N 2.96Å; G368-A370 PolarHBondContact O-N 3.06Å; A370-Q372 PolarHBondContact O-N 2.78Å; A370-M373 PolarHBondContact O-N 2.82Å; A370-E374 WeakPolarHBondContact O-CB 3.32Å; A370-E374 PolarHBondContact O-N 3.41Å
371K59.5Low55.4Low145 Ų14594.9 Ų94.963%0.6353%0.531SS*.Hα-helixtrans-65.4-35.9176.5-78.1-176.9174.2-172.80113.4K367 G368 M369 L375K367-K371 WeakPolarHBondContact O-CG 3.41Å; K367-K371 PolarHBondContact O-N 3.35Å; G368-K371 PolarHBondContact O-N 3.39Å; M369-K371 PolarHBondContact O-N 2.79Å; K371-L375 WeakPolarHBondContact O-CB 3.09Å; K371-L375 PolarHBondContact O-N 3.26Å
372Q53.8Low55.9Low126 Ų12698.7 Ų98.759%0.58954%0.54SS*.Hα-helixtrans-68.7-37.7175.8-173.3173.2-14.300111.5G368 M369 A370 L376G368-Q372 PolarHBondContact O-N 2.94Å; M369-Q372 PolarHBondContact O-N 3.48Å; A370-Q372 PolarHBondContact O-N 2.78Å; Q372-L376 WeakPolarHBondContact O-CG 3.5Å; Q372-L376 PolarHBondContact O-N 3.44Å; Q372-L376 VanDerWaalsContact O-N 3.15Å
373M55.4Low57Low116 Ų116102.2 Ų102.257%0.57155%0.546SS*.Hα-helixtrans-69.9-38.9174.9-161-175.7-49.900112.1M369 A370 L376 C377M369-M373 WeakPolarHBondContact O-CB 3.21Å; M369-M373 PolarHBondContact O-N 2.99Å; A370-M373 PolarHBondContact O-N 2.82Å; M373-L376 PolarHBondContact O-N 3.34Å; M373-C377 WeakPolarHBondContact O-CB 3.48Å; M373-C377 PolarHBondContact O-N 2.9Å; M373-C377 PolarHBondContact O-SG 3.1Å
374E65.4Low57.5Low137 Ų137107.6 Ų107.664%0.6456%0.556SS**Hα-helixtrans-61.9-42.6173.8-171.8179.3-17400111.5A370 C377 A378A370-E374 WeakPolarHBondContact O-CB 3.32Å; A370-E374 PolarHBondContact O-N 3.41Å; E374-C377 PolarHBondContact O-N 3.03Å; E374-A378 WeakPolarHBondContact O-CB 3.38Å; E374-A378 PolarHBondContact O-N 3.39Å
375L60.9Low58.1Low124 Ų124105.2 Ų105.265%0.64955%0.548SS*.Hα-helixtrans-61.3-43.6174-103.7151000112.8K371 A378 Q379K371-L375 WeakPolarHBondContact O-CB 3.09Å; K371-L375 PolarHBondContact O-N 3.26Å; L375-A378 PolarHBondContact O-N 2.94Å; L375-Q379 WeakPolarHBondContact O-CB 3.34Å; L375-Q379 PolarHBondContact O-N 2.82Å
376L63.4Low58.8Low106 Ų106107 Ų10756%0.55555%0.545SS*.Hα-helixtrans-67.4-41.9176.8-73.7166.4000112.1Q372 M373 Q379 A380Q372-L376 WeakPolarHBondContact O-CG 3.5Å; Q372-L376 PolarHBondContact O-N 3.44Å; Q372-L376 VanDerWaalsContact O-N 3.15Å; M373-L376 PolarHBondContact O-N 3.34Å; L376-Q379 PolarHBondContact O-N 3.38Å; L376-A380 WeakPolarHBondContact O-CB 3.42Å; L376-A380 PolarHBondContact O-N 3.36Å
377C63.9Low58.8Low88 Ų88106.1 Ų106.160%0.59554%0.54SS*.Hα-helixtrans-66-38.7174.8-77.10000112.4M373 E374 G381M373-C377 WeakPolarHBondContact O-CB 3.48Å; M373-C377 PolarHBondContact O-N 2.9Å; M373-C377 PolarHBondContact O-SG 3.1Å; E374-C377 PolarHBondContact O-N 3.03Å; C377-G381 PolarHBondContact O-N 3.29Å
378A64.6Low58.8Low49 Ų49105 Ų10541%0.40554%0.538SS..Hα-helixtrans-65.9-41.7173.800000111.5E374 L375 G381 Y382E374-A378 WeakPolarHBondContact O-CB 3.38Å; E374-A378 PolarHBondContact O-N 3.39Å; L375-A378 PolarHBondContact O-N 2.94Å; A378-G381 CarbonylContact O-C 3.22Å; A378-G381 WeakPolarHBondContact O-CA 3.5Å; A378-G381 PolarHBondContact O-N 3.41Å; A378-G381 VanDerWaalsContact O-N 3.16Å; A378-Y382 WeakPolarHBondContact O-CD2 3.46Å; A378-Y382 PolarHBondContact O-N 3.04Å
379Q59.2Low58.9Low110 Ų110111.2 Ų111.251%0.51455%0.549SS..Hα-helixtrans-62.7-46.7175.6-176.1170.5-16.900111.7L375 L376 G381 Y382 E383L375-Q379 WeakPolarHBondContact O-CB 3.34Å; L375-Q379 PolarHBondContact O-N 2.82Å; L376-Q379 PolarHBondContact O-N 3.38Å; Q379-G381 PolarHBondContact O-N 2.86Å; Q379-Y382 PolarHBondContact O-N 3.44Å; Q379-Y382 VanDerWaalsContact O-N 3.13Å; Q379-E383 WeakPolarHBondContact O-CG 3.34Å; Q379-E383 PolarHBondContact O-N 3.27Å
380A61.6Low59.1Low44 Ų44113.7 Ų113.736%0.36455%0.552SS.*Hα-helixtrans-62.3-30.8173.100000112.7L376 R384L376-A380 WeakPolarHBondContact O-CB 3.42Å; L376-A380 PolarHBondContact O-N 3.36Å; A380-R384 PolarHBondContact O-N 3.44Å; A380-R384 VanDerWaalsContact O-N 3.1Å
381G66.5Low59.1Low28 Ų28116.8 Ų116.829%0.28956%0.56SS.*Hα-helixtrans-64.2-49.3169.600000112.5C377 A378 Q379 E383 R384 L385C377-G381 PolarHBondContact O-N 3.29Å; A378-G381 CarbonylContact O-C 3.22Å; A378-G381 WeakPolarHBondContact O-CA 3.5Å; A378-G381 PolarHBondContact O-N 3.41Å; A378-G381 VanDerWaalsContact O-N 3.16Å; Q379-G381 PolarHBondContact O-N 2.86Å; G381-E383 VanDerWaalsContact C-N 3.35Å; G381-E383 PolarHBondContact O-N 3.31Å; G381-R384 PolarHBondContact O-N 2.93Å; G381-L385 WeakPolarHBondContact O-CB 3.34Å; G381-L385 PolarHBondContact O-N 3.19Å
382Y58.4Low58.6Low181 Ų181113.7 Ų113.771%0.7155%0.553SS**Hα-helixtrans-64.1-35.3176.9-94.6-83000113.1A378 Q379 L385 Q386A378-Y382 WeakPolarHBondContact O-CD2 3.46Å; A378-Y382 PolarHBondContact O-N 3.04Å; Q379-Y382 PolarHBondContact O-N 3.44Å; Q379-Y382 VanDerWaalsContact O-N 3.13Å; Y382-L385 PolarHBondContact O-N 3.07Å; Y382-Q386 WeakPolarHBondContact O-CB 3.49Å; Y382-Q386 PolarHBondContact O-N 3.31Å
383E62.7Low58.4Low113 Ų113110.9 Ų110.953%0.52855%0.552SS.*Hα-helixtrans-67-45.1173.9-74.9176.2-178.300111.4Q379 G381 L385 Q386 Q387Q379-E383 WeakPolarHBondContact O-CG 3.34Å; Q379-E383 PolarHBondContact O-N 3.27Å; G381-E383 VanDerWaalsContact C-N 3.35Å; G381-E383 PolarHBondContact O-N 3.31Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 3.01Å; E383-Q386 PolarHBondContact O-N 3.08Å; E383-Q387 WeakPolarHBondContact O-CB 3.41Å; E383-Q387 PolarHBondContact O-N 3.28Å
384R60.4Low58Low175 Ų175107.6 Ų107.666%0.6655%0.547SS*.Hα-helixtrans-57-45170.6-104.3-168.6-64.9-118.7-2.2112.2A380 G381 Q387 E388A380-R384 PolarHBondContact O-N 3.44Å; A380-R384 VanDerWaalsContact O-N 3.1Å; G381-R384 PolarHBondContact O-N 2.93Å; R384-Q387 PolarHBondContact O-N 3.11Å; R384-Q387 VanDerWaalsContact O-N 3.17Å; R384-E388 WeakPolarHBondContact O-CB 3.32Å; R384-E388 PolarHBondContact O-N 3.06Å
385L56.9Low57.1Low93 Ų93107.6 Ų107.649%0.48755%0.551SS.*Hα-helixtrans-74-25.4-177.3-136.8148.4000112.4G381 Y382 E383 R389G381-L385 WeakPolarHBondContact O-CB 3.34Å; G381-L385 PolarHBondContact O-N 3.19Å; Y382-L385 PolarHBondContact O-N 3.07Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 3.01Å; L385-R389 WeakPolarHBondContact O-CB 3.45Å; L385-R389 PolarHBondContact O-N 3.42Å; L385-R389 VanDerWaalsContact O-N 3.11Å
386Q60Low56Low104 Ų104111.3 Ų111.349%0.48656%0.558SS.*Hα-helixtrans-71.5-41.9164.7-96.8-145.937.200111.9Y382 E383 R389 R390Y382-Q386 WeakPolarHBondContact O-CB 3.49Å; Y382-Q386 PolarHBondContact O-N 3.31Å; E383-Q386 PolarHBondContact O-N 3.08Å; Q386-R389 PolarHBondContact O-N 3.43Å; Q386-R390 WeakPolarHBondContact O-CB 3.43Å; Q386-R390 VanDerWaalsContact O-CG 3.29Å; Q386-R390 WeakPolarHBondContact O-CG 3.46Å; Q386-R390 PolarHBondContact O-N 3.29Å
387Q52.3Low55Low127 Ų127117 Ų11759%0.59357%0.572SS**Hα-helixtrans-66.5-42.1-179.8-164.9167.315.300110.9E383 R384 R390 L391E383-Q387 WeakPolarHBondContact O-CB 3.41Å; E383-Q387 PolarHBondContact O-N 3.28Å; R384-Q387 PolarHBondContact O-N 3.11Å; R384-Q387 VanDerWaalsContact O-N 3.17Å; Q387-R390 PolarHBondContact O-N 3.44Å; Q387-L391 VanDerWaalsContact O-CG 3.31Å; Q387-L391 WeakPolarHBondContact O-CG 3.48Å; Q387-L391 PolarHBondContact O-N 3.45Å
388E52.5Low53.8Low123 Ų123121.7 Ų121.758%0.57559%0.585SS**Hα-helixtrans-59.1-51.3169.9-170.2175.8-167.100111.1R384 R390 L391 T392R384-E388 WeakPolarHBondContact O-CB 3.32Å; R384-E388 PolarHBondContact O-N 3.06Å; E388-R390 VanDerWaalsContact C-N 3.27Å; E388-R390 PolarHBondContact O-N 3.1Å; E388-L391 CarbonylContact O-C 3.28Å; E388-L391 WeakPolarHBondContact O-CA 3.48Å; E388-L391 WeakPolarHBondContact O-CB 3.43Å; E388-L391 PolarHBondContact O-N 3.26Å; E388-T392 PolarHBondContact O-N 3.27Å; E388-T392 PolarHBondContact O-OG1 3Å
389R53.3Low52.5Low167 Ų167123.7 Ų123.763%0.6360%0.597SS**Hα-helixtrans-59.9-32.1175.5-105.7-167.3-72.2-151.7-2.5114.1L385 Q386 A393L385-R389 WeakPolarHBondContact O-CB 3.45Å; L385-R389 PolarHBondContact O-N 3.42Å; L385-R389 VanDerWaalsContact O-N 3.11Å; Q386-R389 PolarHBondContact O-N 3.43Å; R389-A393 WeakPolarHBondContact O-CB 3.4Å; R389-A393 PolarHBondContact O-N 3.08Å
390R55.5Low51.2Low177 Ų177124.5 Ų124.567%0.66861%0.614SS**Hα-helixtrans-69.7-36.9173.7-73.8176-166.8-1666.6111.6Q386 Q387 E388 G394Q386-R390 WeakPolarHBondContact O-CB 3.43Å; Q386-R390 VanDerWaalsContact O-CG 3.29Å; Q386-R390 WeakPolarHBondContact O-CG 3.46Å; Q386-R390 PolarHBondContact O-N 3.29Å; Q387-R390 PolarHBondContact O-N 3.44Å; E388-R390 VanDerWaalsContact C-N 3.27Å; E388-R390 PolarHBondContact O-N 3.1Å; R390-G394 PolarHBondContact O-N 3.11Å
391L54.1Low49.7Very low120 Ų120126 Ų12663%0.62863%0.633SS**Hα-helixtrans-68.4-44.1173.5-67.6165.5000111.4Q387 E388 G394 L395Q387-L391 VanDerWaalsContact O-CG 3.31Å; Q387-L391 WeakPolarHBondContact O-CG 3.48Å; Q387-L391 PolarHBondContact O-N 3.45Å; E388-L391 CarbonylContact O-C 3.28Å; E388-L391 WeakPolarHBondContact O-CA 3.48Å; E388-L391 WeakPolarHBondContact O-CB 3.43Å; E388-L391 PolarHBondContact O-N 3.26Å; L391-G394 PolarHBondContact O-N 3.47Å; L391-L395 PolarHBondContact O-N 2.89Å
392T50.1Low48Very low79 Ų79133.5 Ų133.549%0.48566%0.661SS.*Hα-helixtrans-65.2-40.3175.4-400000112.2E388 G394 L395E388-T392 PolarHBondContact O-N 3.27Å; E388-T392 PolarHBondContact O-OG1 3Å; T392-G394 VanDerWaalsContact C-N 3.31Å; T392-G394 PolarHBondContact O-N 2.91Å; T392-L395 PolarHBondContact O-N 3.25Å
393A49.6Very low46.7Very low68 Ų68134.1 Ų134.156%0.56267%0.67SS**Hα-helixtrans-69.5-27.6175.800000113R389 L395R389-A393 WeakPolarHBondContact O-CB 3.4Å; R389-A393 PolarHBondContact O-N 3.08Å; A393-L395 VanDerWaalsContact C-N 3.33Å
394G47.3Very low45.3Very low46 Ų46134.1 Ų134.147%0.47468%0.683SS.*Hα-helixtrans-66.3-34170.600000113.1R390 L391 T392R390-G394 PolarHBondContact O-N 3.11Å; L391-G394 PolarHBondContact O-N 3.47Å; T392-G394 VanDerWaalsContact C-N 3.31Å; T392-G394 PolarHBondContact O-N 2.91Å
395L45.4Very low44.6Very low138 Ų138131.3 Ų131.372%0.72369%0.687SS**Hα-helixtrans-78.6-13.2-178.8-78.9162000114.7L391 T392 A393L391-L395 PolarHBondContact O-N 2.89Å; T392-L395 PolarHBondContact O-N 3.25Å; A393-L395 VanDerWaalsContact C-N 3.33Å
396Y38.8Very low43.4Very low202 Ų202134.8 Ų134.879%0.79271%0.706SS**THydrogen-bonded Turntrans-96.36.4176.5-112.9-89.5000114.5
397R41.6Very low42Very low225 Ų225133 Ų13385%0.84972%0.717SS**SBendtrans-115.724.9174.5-156.1-164-84.2-108.9-2.5113.3
398Q38.8Very low40.8Very low186 Ų186131 Ų13187%0.86973%0.73SS**SBendtrans-13848.8171.6-68.8-166.813.900112.2
399S37.7Very low40Very low92 Ų92133.3 Ų133.364%0.64375%0.745SS**  trans-154.852.117152.70000113.3
400S31.6Very low40.1Very low127 Ų127130.8 Ų130.889%0.88875%0.75SS**  trans-173.7122.9156.726.60000109.8
401G29.4Very low39Very low74 Ų74128 Ų12876%0.76376%0.758SS**  cis176.6166.2-10.400000111.7
402E31.8Very low37.9Very low187 Ų187129.4 Ų129.487%0.87477%0.766SS**  trans-140.4110.7161.3-77.5-168.990.800108.5
403Q31.6Very low37Very low193 Ų193130 Ų13090%0.90277%0.773SS**  175.3136.3120.6-92.8166.52400111.5
404S32.6Very low36.2Very low113 Ų113131.8 Ų131.879%0.7978%0.782SS**  trans-65.5166.5163.7-107.40000110.9
405P45.5Very low35.7Very low116 Ų116137.2 Ų137.275%0.75380%0.8SS**  cis-151168.44443.5-23.4000120
406D32.6Very low35.1Very low166 Ų166133.4 Ų133.489%0.88879%0.794SS**  trans68.3145.3145.6-143.24.1000122.5
407G29.6Very low34.8Very low68 Ų68133.6 Ų133.670%0.70180%0.802SS**  trans99.699.6153.800000120.5
408G28.5Very low34.3Very low84 Ų84126.1 Ų126.187%0.86680%0.796SS**  trans88.5122.2132.900000121.3
409L35.3Very low34Very low172 Ų172126.6 Ų126.690%0.90180%0.798SS**  trans-82.8-178.7159.9-68.3171.5000111.1
410P54.9Low33.9Very low114 Ų114133.5 Ų133.574%0.7481%0.81SS**  cis-133.7173.7-30.329.5-9.4000114.3
411S32.5Very low35.1Very low118 Ų118132 Ų13283%0.82580%0.797SS**  trans155.5128.5143.9-73.50000108.2
412D30.3Very low35.3Very low149 Ų149136.5 Ų136.580%0.79780%0.802SS**  cis101.1127.330.3-161.422.8000114.9
413S31.5Very low35.4Very low92 Ų92134.1 Ų134.164%0.64380%0.796SS**  trans76137.8157.872.80000124.2
414S33.8Very low35.4Very low106 Ų106133.5 Ų133.574%0.74180%0.798SS**  trans79.8146.8149.688.40000119.1
415D36.6Very low35.4Very low160 Ų160138.6 Ų138.686%0.85680%0.8SS**  cis-167.5173.4-23.4-128.2-54.5000112.4
416G32.6Very low34.9Very low58 Ų58140 Ų14060%0.59880%0.8SS**  trans73.3107.6156.600000118
417Q32.7Very low35.3Very low205 Ų205137.6 Ų137.696%0.95879%0.793SS**  64.7137.668.6-72.6-161.6-15.200117.4
418G30Very low35.3Very low69 Ų69139.1 Ų139.171%0.71179%0.793SS**  trans145.857.9-177.300000112.1
419E32.8Very low35.5Very low196 Ų196142.2 Ų142.292%0.91679%0.794SS**  85.8143.496.6-70.9-149.8135.200116
420R36.8Very low35.4Very low237 Ų237142.5 Ų142.589%0.89479%0.791SS**  trans-112.2-173.2-172.1-97.8176.4169.9177.8-2.6108.4
421P56.7Low34.3Very low96 Ų96144 Ų14462%0.62379%0.793SS**  cis-128.8-162-40.836.3-18.5000109.9
422L33.6Very low34.2Very low167 Ų167149.6 Ų149.687%0.87480%0.796SS**  -166.7157118.4-102174.6000111.8
423N32.4Very low34.2Very low137 Ų137149.3 Ų149.373%0.73379%0.79SS**  trans-101.5151.5-166.4-71.8-101.8000112.6
424L33.1Very low34.5Very low181 Ų181150.7 Ų150.795%0.94880%0.796SS**  trans-134.4147.7144.6-104.7159.7000109.4
425R32.3Very low34.3Very low219 Ų219152.7 Ų152.783%0.82679%0.794SS**  trans-120.9168.4-148.3-173.8-168.8-178.3128.3-1.4111.2
426I34.2Very low33.9Very low147 Ų147152 Ų15275%0.75479%0.785SS**  trans105.3133.2150.4-53.2162.8000113.9
427P40.7Very low33.5Very low115 Ų115157.9 Ų157.975%0.74779%0.794SS**  cis-131.3161.2-29.235.9-17.8000115.5
428S29.5Very low33.3Very low99 Ų99152.5 Ų152.569%0.69278%0.775SS**  trans-31.7133.8159.7152.50000117.8
429V32.8Very low33.3Very low149 Ų149154.8 Ų154.890%0.90378%0.775SS**  trans-124.8121.3130.4-178.90000107.6
430Q32.5Very low33.1Very low178 Ų178152.4 Ų152.483%0.83277%0.769SS**  trans-104.1136.5-173.5-156.6172.225.200111.7
431N32.6Very low32.8Very low145 Ų145144.3 Ų144.378%0.77576%0.759SS**  trans-63.5145.3177.1177.53.6000112.5Q433N431-Q433 PolarHBondContact OD1-N 3.42Å
432R30.7Very low31.4Very low237 Ų237148.1 Ų148.189%0.89477%0.769SS**  trans-141.691.8158.8-147.1178.5-166.8-169.23.5113.7
433Q29.7Very low31.2Very low143 Ų143147.1 Ų147.167%0.66876%0.763SS**  trans27.4137.5144.9-68.6-173.4-33.500122.2N431N431-Q433 PolarHBondContact OD1-N 3.42Å
434P38.7Very low31.1Very low120 Ų120144.9 Ų144.978%0.77976%0.759SS**  trans-98.4142.3146.936.3-28.1000112.7
435H29.2Very low31.4Very low148 Ų148147.4 Ų147.469%0.68576%0.756SS**  trans-168.2150.9168.8-97-83000107.4
436H28.4Very low31.1Very low145 Ų145145.5 Ų145.567%0.67176%0.761SS**  cis-176.8136.9-19-146.3-98.3000108.9
437F23.9Very low30.8Very low182 Ų182148.6 Ų148.680%0.79877%0.765SS**  trans179116.4146.9-128.1-110000108.3
438V28.4Very low30.2Very low92 Ų92147.8 Ų147.856%0.55876%0.762SS**  70.7117.765.9179.20000110.9
439V29.5Very low30.2Very low117 Ų117147.3 Ų147.371%0.70976%0.758SS**  -154.7142.388.3156.20000112.3
440D28.9Very low30Very low147 Ų147148.9 Ų148.979%0.78676%0.756SS**  trans24.8150.6159.6-65.1-74.9000122.9
441G30.2Very low29.9Very low67 Ų67144.4 Ų144.469%0.69175%0.75SS**  cis107.2132.538.700000108
442E28.1Very low29.8Very low176 Ų176145.6 Ų145.682%0.82275%0.748SS**  cis-157.5164.828.8-59.5-178.7107.100114.1
443L30.1Very low29.6Very low145 Ų145139.8 Ų139.876%0.75974%0.743SS**  trans45.2130.6139-69.8163.7000126.4
444S29.9Very low29.6Very low91 Ų91140.7 Ų140.764%0.63675%0.747SS**  trans50.9121.7134.6-68.10000122.2
445R38.7Very low29.2Very low233 Ų233140.3 Ų140.388%0.87975%0.747SS**  51.5119.987.4-86-161.8-78.9-158.7-5.8115.6
446L27.1Very low29.4Very low180 Ų180137.8 Ų137.894%0.94275%0.746SS**  trans-164.9174.8134.7-105.3167.7000112.9
447Y27Very low29.6Very low211 Ų211138.7 Ų138.783%0.82775%0.751SS**  trans-103.4159.4-157.4-113.6-108.1000114.7
448S28.6Very low29.8Very low99 Ų99133.9 Ų133.969%0.69274%0.74SS**  trans47.9161.1142.7-85.10000122.1
449S29.3Very low30Very low88 Ų88137.6 Ų137.662%0.61576%0.756SS**  cis-166.9153.7-4.2-1070000109.7
450E29.3Very low30Very low183 Ų183135.8 Ų135.886%0.85576%0.761SS**  trans59159.8153.5-60.6-178.5102.200118.6
451A29.8Very low30.6Very low84 Ų84136.6 Ų136.669%0.69476%0.763SS**  cis-152.4149.114.500000114
452K29.8Very low30.6Very low170 Ų170140.7 Ų140.774%0.73977%0.769SS**  42.4125.4128.5-113153.4-178.2167.60120.6
453S27.8Very low31Very low115 Ų115141.1 Ų141.180%0.80477%0.768SS**  -172.113683.5-60.70000108.9
454H29.5Very low31Very low162 Ų162141.1 Ų141.175%0.7577%0.769SS**  cis84.29948.9-88.6-73.2000118.1
455S29.4Very low31.1Very low111 Ų111144.9 Ų144.978%0.77677%0.77SS**  trans-173.5114.213856.50000108.1
456S34Very low31.4Very low95 Ų95140 Ų14066%0.66477%0.768SS**  44.1129.877.1-960000112.7
457E32.3Very low31.6Very low165 Ų165138.7 Ų138.777%0.77176%0.757SS**  cis-174.4-176.16.5-127.6179.393.300109.9
458S29.2Very low31.8Very low81 Ų81134.5 Ų134.557%0.56676%0.759SS**  cis-156.8-174.61.5-150.20000112.4
459L32.6Very low32Very low170 Ų170133.2 Ų133.289%0.8975%0.754SS**  trans15.6135.6157.2-72.4163.4000122.6
460G28.5Very low32Very low79 Ų79138.1 Ų138.181%0.81477%0.765SS**  trans-179.4105.5159.100000115.8
461I42.6Very low32.1Very low164 Ų164135.4 Ų135.484%0.84176%0.761SS**  trans-98.2121.3170.8-67.2170.1000109.5
462L29.4Very low32.2Very low153 Ų153138.2 Ų138.280%0.80176%0.763SS**  trans-169.3123.8163.9-125.166.8000104.3
463K35.5Very low32.4Very low185 Ų185138.3 Ų138.380%0.80477%0.766SS**  cis54.683.735.6-163.1-178.9-175.4-179.50113.4
464D29.8Very low32.8Very low145 Ų145141.6 Ų141.678%0.77577%0.766SS**  trans-157.1164.7139-116.6-39.8000116.4
465Y32.7Very low33.4Very low169 Ų169143.1 Ų143.166%0.66377%0.771SS**  trans-69.8174.8-175.4-97.9-102.2000114.7H467Y465-H467 HydrophobicContact CD1-CB 3.73Å; Y465-H467 AromaticContact CD1-CD2 3.92Å; Y465-H467 AromaticContact CD1-CG 3.66Å; Y465-H467 HydrophobicContact CE1-CB 4.21Å; Y465-H467 AromaticContact CE1-CD2 3.46Å; Y465-H467 VanDerWaalsContact CE1-CD2 3.46Å; Y465-H467 WeakPolarHBondContact CE1-CD2 2.9Å; Y465-H467 AromaticContact CE1-CG 3.67Å; Y465-H467 AromaticContact CE1-NE2 3.73Å
466P45Very low33.7Very low130 Ų130144.1 Ų144.184%0.84477%0.772SS**  -123.7128.310934.3-31.7000113.9
467H31.9Very low34Very low153 Ų153147.4 Ų147.471%0.70878%0.78SS**  trans-129.3125.1167.6-114.75.7000108.7Y465Y465-H467 HydrophobicContact CD1-CB 3.73Å; Y465-H467 AromaticContact CD1-CD2 3.92Å; Y465-H467 AromaticContact CD1-CG 3.66Å; Y465-H467 HydrophobicContact CE1-CB 4.21Å; Y465-H467 AromaticContact CE1-CD2 3.46Å; Y465-H467 VanDerWaalsContact CE1-CD2 3.46Å; Y465-H467 WeakPolarHBondContact CE1-CD2 2.9Å; Y465-H467 AromaticContact CE1-CG 3.67Å; Y465-H467 AromaticContact CE1-NE2 3.73Å
468S30.7Very low34.2Very low123 Ų123148.2 Ų148.286%0.8678%0.781SS**  trans156151.1147.851.60000108.6
469A33.1Very low34.6Very low72 Ų72150.9 Ų150.960%0.59579%0.794SS**  cis-167.3166-25.400000104.2
470F30.3Very low35.1Very low192 Ų192151.2 Ų151.284%0.84279%0.791SS**  cis-157.8178.329.2-79.9-84.1000105.9
471T30.3Very low36.4Very low126 Ų126153 Ų15377%0.77379%0.789SS**  cis-155.2143.85.4-11.50000106.4
472L32.9Very low36.5Very low142 Ų142154.4 Ų154.474%0.74379%0.791SS**  trans-130.6108.1167.9-170.3150000109.2K474L472-K474 HydrophobicContact CD2-CB 4.45Å; L472-K474 HydrophobicContact CD2-CD 4.21Å; L472-K474 HydrophobicContact CD2-CG 3.82Å; L472-K474 PolarHBondContact O-N 2.64Å
473E32.8Very low37.1Very low172 Ų172153.9 Ų153.980%0.80479%0.789SS**  trans-75.1115.1174.7-67.5-158145.300110.6
474K36.3Very low37.5Very low184 Ų184150.4 Ų150.480%0.879%0.788SS**  trans-113113.2163.6-100178175.2179.10108.7L472L472-K474 HydrophobicContact CD2-CB 4.45Å; L472-K474 HydrophobicContact CD2-CD 4.21Å; L472-K474 HydrophobicContact CD2-CG 3.82Å; L472-K474 PolarHBondContact O-N 2.64Å
475K42.2Very low37.9Very low195 Ų195158.9 Ų158.985%0.84881%0.809SS**  trans-82.7135.8168.8-75.4-176.6176.91760110.4
476V35.3Very low38.2Very low132 Ų132158.4 Ų158.480%0.882%0.817SS**  trans-110124.8175.91710000108.8
477I40Very low37.8Very low163 Ų163159.8 Ų159.884%0.83682%0.815SS**  trans-143.594160.8-57.8-177.1000104.8
478K36.5Very low38.2Very low182 Ų182160.2 Ų160.279%0.79182%0.821SS**  84.698.187.7-167.5-178.8-179.7-173.70112.2
479T37.4Very low38.6Very low137 Ų137162.4 Ų162.484%0.8482%0.819SS**PPolyproline II helixtrans-79.114116344.20000110.4
480E43.8Very low38.9Very low178 Ų178168.1 Ų168.183%0.83283%0.833SS**PPolyproline II helixtrans-94.1154.7164.3-109.1-164.6126.500111.2
481P55.9Low39.5Very low117 Ų117166.5 Ų166.576%0.7683%0.832SS**PPolyproline II helixtrans-95.8167179.638.7-33.5000113.5
482E44.8Very low40.2Very low192 Ų192169.4 Ų169.490%0.89784%0.837SS**PPolyproline II helixtrans-81.9152.7176.1-106.6-177.4118.900114.6
483D43Very low40.7Very low142 Ų142171.5 Ų171.576%0.75984%0.844SS**  trans71.3118.5146.4-157.27.8000121.5
484S42Very low41.4Very low112 Ų112171.4 Ų171.478%0.78385%0.847SS**  trans-177.5119.1130.8-80.70000113.1
485R39.7Very low41.9Very low323 Ų323170.3 Ų170.3100%1.21985%0.851SS**  trans87.90168.1-62.7-173.1173.9-173.3-1.5119.4

Retrieved 485 of 485 residues in 134.5 ms (Link to these results)

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