BUD31_BOVIN Loading...

Protein BUD31 homolog

Involved in the pre-mRNA splicing process. May play a role as regulator of AR transcriptional activity; may increase AR transcriptional activity.

AlphaFold DB , UniProt , Accession Q2NKU3, Species BOVIN (Bos taurus, Bovine), Gene BUD31, Length 144 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
1M48.4Very low63.6Low154 Ų154132.5 Ų132.576%0.75965%0.647SS**  0156.50-77.7160.567.700109.3K3 E33M1-K3 PolarHBondContact O-N 3.47Å; M1-E33 PolarHBondContact N-OE1 2.9Å
2P43.4Very low66.2Low120 Ų120122.9 Ų122.978%0.77960%0.602SS**  trans-61.2138.1178.7-6.719.8000109V4P2-V4 PolarHBondContact O-N 3.46Å
3K50.5Low68.4Low200 Ų200124.4 Ų124.487%0.8761%0.614SS**  trans-45.5113.1174-74.5-178.3178.5178.90107.4M1 K5M1-K3 PolarHBondContact O-N 3.47Å; K3-K5 VanDerWaalsContact C-N 3.31Å; K3-K5 PolarHBondContact O-N 3.26Å
4V55Low70.3Confident70 Ų70116.4 Ų116.442%0.42458%0.579SS.*  trans-54.2105.9170.1174.20000104.5P2 R6 E81P2-V4 PolarHBondContact O-N 3.46Å; V4-R6 PolarHBondContact O-N 3.07Å; V4-E81 HydrophobicContact CG1-CB 4.47Å; V4-E81 WeakPolarHBondContact CG1-O 3Å
5K52.8Low72Confident197 Ų197109.3 Ų109.386%0.85754%0.543SS*.  trans-6497169.9-86.2-176.1174.5178.40103.9K3 S7K3-K5 VanDerWaalsContact C-N 3.31Å; K3-K5 PolarHBondContact O-N 3.26Å; K5-S7 PolarHBondContact O-N 2.86Å
6R58.6Low73.5Confident143 Ų143109.3 Ų109.354%0.5454%0.541SS..  trans-46.3119173.9-74.8-177.1175.2-175.4-5.2106.2V4 D23V4-R6 PolarHBondContact O-N 3.07Å; R6-D23 IonicContact NH2-OD1 3.01Å; R6-D23 PolarHBondContact NH2-OD1 3.21Å
7S64.9Low74.8Confident43 Ų43110.5 Ų110.530%0.30155%0.55SS..  trans-50.5144.3176.2169.50000109.5K5 K9 E81K5-S7 PolarHBondContact O-N 2.86Å; S7-K9 PolarHBondContact O-N 3.04Å; S7-K9 WeakPolarHBondContact OG-CB 3.45Å; S7-K9 PolarHBondContact OG-N 2.82Å; S7-K9 VanDerWaalsContact OG-N 3.09Å; S7-E81 VanDerWaalsContact CB-CD 3.47Å; S7-E81 WeakPolarHBondContact CB-OE1 3.33Å; S7-E81 VanDerWaalsContact CB-OE2 3.3Å; S7-E81 WeakPolarHBondContact CB-OE2 3.38Å; S7-E81 PolarHBondContact N-OE2 2.94Å
8R71.2Confident76Confident258 Ų258104.6 Ų104.697%0.97452%0.52SS*.SBendtrans-66.7-13.5172.5-66-176.9180173.8-0.4112.2
9K78.6Confident77.1Confident138 Ų138102.2 Ų102.260%0.651%0.507SS*.SBendtrans-71130.8177.9-159.1-179-178.2-167.80108.6S7S7-K9 PolarHBondContact O-N 3.04Å; S7-K9 WeakPolarHBondContact OG-CB 3.45Å; S7-K9 PolarHBondContact OG-N 2.82Å; S7-K9 VanDerWaalsContact OG-N 3.09Å
10A85.9Confident78.1Confident77 Ų77101.3 Ų101.364%0.63651%0.509SS*.PPolyproline II helixtrans-54.4142.3172.300000110.1
11P90.6Very high79.1Confident58 Ų5898.7 Ų98.738%0.37750%0.498SS..PPolyproline II helixtrans-64.9150.4176.728.6-34000110.5W15 Y77P11-W15 HydrophobicContact CB-CB 3.62Å; P11-W15 HydrophobicContact CB-CD2 3.82Å; P11-W15 HydrophobicContact CB-CG 3.33Å; P11-W15 HydrophobicContact CG-CB 4.12Å; P11-W15 VanDerWaalsContact CG-CD1 3.45Å; P11-W15 HydrophobicContact CG-CG 3.77Å; P11-Y77 HydrophobicContact CB-CE1 4.05Å
12P94.6Very high81.4Confident17 Ų1791.3 Ų91.311%0.1146%0.462CS..PPolyproline II helixtrans-66.6168.5176-19.232.8000113.1W15 E73 L74 Y77P12-W15 VanDerWaalsContact O-CB 3.29Å; P12-W15 WeakPolarHBondContact O-CB 3.37Å; P12-W15 PolarHBondContact O-N 3.06Å; P12-E73 HydrophobicContact CB-CG 3.98Å; P12-E73 HydrophobicContact CG-CG 3.95Å; P12-L74 HydrophobicContact CB-CB 4.43Å; P12-L74 HydrophobicContact CB-CD1 4.26Å; P12-L74 HydrophobicContact CG-CD1 4.33Å; P12-Y77 VanDerWaalsContact CD-CG 3.48Å; P12-Y77 HydrophobicContact CG-CD1 4.46Å; P12-Y77 HydrophobicContact CG-CD2 4.21Å; P12-Y77 HydrophobicContact CG-CG 3.9Å
13D94.9Very high83.9Confident142 Ų14288.1 Ų88.176%0.75944%0.439SS*.THydrogen-bonded Turntrans-54.6137.9176.4-172.649.5000112.8
14G95.1Very high86.2Confident12 Ų1283.6 Ų83.612%0.12442%0.42CS..THydrogen-bonded Turntrans82.83.2-177.100000115.2E16 L17G14-E16 VanDerWaalsContact C-N 3.32Å; G14-E16 WeakPolarHBondContact CA-OE1 3.47Å; G14-E16 PolarHBondContact N-OE1 3.49Å; G14-E16 PolarHBondContact O-N 3.22Å; G14-L17 WeakPolarHBondContact O-CB 3.34Å; G14-L17 PolarHBondContact O-N 2.87Å
15W96.1Very high88.2Confident10 Ų1080.4 Ų80.44%0.03840%0.401CS..Hα-helixtrans-60.5-41.4177.3172.5-103.2000112.4P11 P12 L17 I18 E19 L22 L74 Y77 Y83P11-W15 HydrophobicContact CB-CB 3.62Å; P11-W15 HydrophobicContact CB-CD2 3.82Å; P11-W15 HydrophobicContact CB-CG 3.33Å; P11-W15 HydrophobicContact CG-CB 4.12Å; P11-W15 VanDerWaalsContact CG-CD1 3.45Å; P11-W15 HydrophobicContact CG-CG 3.77Å; P12-W15 VanDerWaalsContact O-CB 3.29Å; P12-W15 WeakPolarHBondContact O-CB 3.37Å; P12-W15 PolarHBondContact O-N 3.06Å; W15-L17 PolarHBondContact O-N 3.29Å; W15-L17 VanDerWaalsContact O-N 3.07Å; W15-I18 HydrophobicContact CE3-CD1 3.99Å; W15-I18 HydrophobicContact CE3-CG1 4.07Å; W15-I18 HydrophobicContact CZ3-CD1 4.13Å; W15-I18 HydrophobicContact CZ3-CG1 4.39Å; W15-I18 WeakPolarHBondContact O-CG1 3.49Å; W15-I18 PolarHBondContact O-N 3.39Å; W15-E19 HydrophobicContact CD2-CB 4.33Å; W15-E19 HydrophobicContact CG-CB 4.45Å; W15-E19 HydrophobicContact CZ2-CB 4.12Å; W15-E19 HydrophobicContact CZ2-CG 4.1Å; W15-E19 PolarHBondContact NE1-OE1 3.35Å; W15-E19 PolarHBondContact NE1-OE2 2.97Å; W15-E19 WeakPolarHBondContact O-CB 3.34Å; W15-E19 PolarHBondContact O-N 2.84Å; W15-L22 HydrophobicContact CH2-CD1 3.55Å; W15-L22 HydrophobicContact CZ3-CD1 3.58Å; W15-L74 HydrophobicContact CB-CD1 4.04Å; W15-L74 HydrophobicContact CE3-CD1 3.87Å; W15-Y77 HydrophobicContact CD2-CE1 4.33Å; W15-Y77 HydrophobicContact CE3-CD1 4.15Å; W15-Y77 AromaticContact CE3-CE1 3.87Å; W15-Y77 HydrophobicContact CE3-CE1 3.87Å; W15-Y77 HydrophobicContact CH2-CE1 4.36Å; W15-Y77 HydrophobicContact CZ3-CD1 4.21Å; W15-Y77 AromaticContact CZ3-CE1 3.89Å; W15-Y77 HydrophobicContact CZ3-CE1 3.89Å; W15-Y83 HydrophobicContact CH2-CD1 4.21Å; W15-Y83 AromaticContact CH2-CD2 3.95Å; W15-Y83 HydrophobicContact CH2-CD2 3.95Å; W15-Y83 AromaticContact CH2-CE1 3.86Å; W15-Y83 HydrophobicContact CH2-CE1 3.86Å; W15-Y83 AromaticContact CH2-CE2 3.5Å; W15-Y83 HydrophobicContact CH2-CE2 3.5Å; W15-Y83 VanDerWaalsContact CH2-CE2 3.5Å; W15-Y83 HydrophobicContact CH2-CG 4.3Å; W15-Y83 AromaticContact CH2-CZ 3.48Å; W15-Y83 VanDerWaalsContact CH2-CZ 3.48Å; W15-Y83 HydrophobicContact CZ2-CE2 4.31Å; W15-Y83 HydrophobicContact CZ3-CD2 4.27Å; W15-Y83 HydrophobicContact CZ3-CE2 4.16Å
16E95.5Very high90.3Very high109 Ų10972.6 Ų72.651%0.50937%0.368SS..Hα-helixtrans-56.8-24.3178.465.3-73.1168.200113.3G14 P20G14-E16 VanDerWaalsContact C-N 3.32Å; G14-E16 WeakPolarHBondContact CA-OE1 3.47Å; G14-E16 PolarHBondContact N-OE1 3.49Å; G14-E16 PolarHBondContact O-N 3.22Å; E16-P20 WeakPolarHBondContact O-CD 3.48Å
17L95.4Very high92.1Very high131 Ų13169.6 Ų69.669%0.68636%0.361SS*.Hα-helixtrans-78.2-26178-57.9178000113G14 W15G14-L17 WeakPolarHBondContact O-CB 3.34Å; G14-L17 PolarHBondContact O-N 2.87Å; W15-L17 PolarHBondContact O-N 3.29Å; W15-L17 VanDerWaalsContact O-N 3.07Å
18I97.1Very high93.6Very high4 Ų471.2 Ų71.22%0.02136%0.362CS..Hα-helixtrans-111-24.2-174.766.9168.9000112.8W15 P20 T21 L22 Y59 I60 L63 I70 L74W15-I18 HydrophobicContact CE3-CD1 3.99Å; W15-I18 HydrophobicContact CE3-CG1 4.07Å; W15-I18 HydrophobicContact CZ3-CD1 4.13Å; W15-I18 HydrophobicContact CZ3-CG1 4.39Å; W15-I18 WeakPolarHBondContact O-CG1 3.49Å; W15-I18 PolarHBondContact O-N 3.39Å; I18-P20 VanDerWaalsContact C-CD 3.5Å; I18-T21 PolarHBondContact O-N 3.46Å; I18-T21 VanDerWaalsContact O-N 3.14Å; I18-L22 HydrophobicContact CD1-CD1 4.02Å; I18-L22 HydrophobicContact CG1-CD1 4.15Å; I18-L22 WeakPolarHBondContact O-CG 3.29Å; I18-L22 PolarHBondContact O-N 3.14Å; I18-L22 VanDerWaalsContact O-N 3.08Å; I18-Y59 HydrophobicContact CB-CE1 4.23Å; I18-I60 HydrophobicContact CD1-CD1 4.14Å; I18-L63 HydrophobicContact CB-CD1 4.43Å; I18-L63 HydrophobicContact CG2-CD1 3.64Å; I18-I70 HydrophobicContact CG2-CG2 3.9Å; I18-L74 HydrophobicContact CD1-CD1 4.28Å; I18-L74 HydrophobicContact CD1-CD2 3.93Å; I18-L74 HydrophobicContact CD1-CG 4.07Å; I18-L74 HydrophobicContact CG1-CD2 4.46Å
19E96.1Very high94.9Very high59 Ų5959.8 Ų59.828%0.27632%0.32SS..Hα-helixtrans-51.5-47.2-179.2176.5172.5-125.900112.8W15 T21 L22 D23W15-E19 HydrophobicContact CD2-CB 4.33Å; W15-E19 HydrophobicContact CG-CB 4.45Å; W15-E19 HydrophobicContact CZ2-CB 4.12Å; W15-E19 HydrophobicContact CZ2-CG 4.1Å; W15-E19 PolarHBondContact NE1-OE1 3.35Å; W15-E19 PolarHBondContact NE1-OE2 2.97Å; W15-E19 WeakPolarHBondContact O-CB 3.34Å; W15-E19 PolarHBondContact O-N 2.84Å; E19-T21 VanDerWaalsContact C-N 3.27Å; E19-T21 PolarHBondContact O-N 3.08Å; E19-L22 PolarHBondContact O-N 2.98Å; E19-D23 WeakPolarHBondContact O-CB 3.39Å; E19-D23 PolarHBondContact O-N 3.07Å
20P97.7Very high95.7Very high83 Ų8359 Ų5954%0.53931%0.314SS..Hα-helixtrans-58.7-39.4-179.4-25.535.2000113.1E16 I18 E24E16-P20 WeakPolarHBondContact O-CD 3.48Å; I18-P20 VanDerWaalsContact C-CD 3.5Å; P20-E24 WeakPolarHBondContact O-CB 3.32Å; P20-E24 PolarHBondContact O-N 3.45Å
21T97.8Very high96.2Very high47 Ų4760.1 Ų60.129%0.28831%0.306SS..Hα-helixtrans-70.1-39.1178.1-56.50000111.2I18 E19 L25 Y59I18-T21 PolarHBondContact O-N 3.46Å; I18-T21 VanDerWaalsContact O-N 3.14Å; E19-T21 VanDerWaalsContact C-N 3.27Å; E19-T21 PolarHBondContact O-N 3.08Å; T21-L25 HydrophobicContact CG2-CD1 4.31Å; T21-L25 VanDerWaalsContact O-CG 3.29Å; T21-L25 WeakPolarHBondContact O-CG 3.48Å; T21-L25 PolarHBondContact O-N 2.84Å; T21-L25 VanDerWaalsContact O-N 3.09Å; T21-Y59 HydrophobicContact CG2-CD1 4.18Å; T21-Y59 HydrophobicContact CG2-CD2 4.27Å; T21-Y59 HydrophobicContact CG2-CE1 3.79Å; T21-Y59 HydrophobicContact CG2-CE2 3.89Å; T21-Y59 HydrophobicContact CG2-CG 4.39Å; T21-Y59 PolarHBondContact OG1-OH 3.36Å
22L97Very high96.4Very high0 Ų057.8 Ų57.80%029%0.291CS..Hα-helixtrans-68.6-39.6178.3-66.9176.3000111.9W15 I18 E19 L25 D26 K56 Y59 I60 Y83W15-L22 HydrophobicContact CH2-CD1 3.55Å; W15-L22 HydrophobicContact CZ3-CD1 3.58Å; I18-L22 HydrophobicContact CD1-CD1 4.02Å; I18-L22 HydrophobicContact CG1-CD1 4.15Å; I18-L22 WeakPolarHBondContact O-CG 3.29Å; I18-L22 PolarHBondContact O-N 3.14Å; I18-L22 VanDerWaalsContact O-N 3.08Å; E19-L22 PolarHBondContact O-N 2.98Å; L22-L25 PolarHBondContact O-N 3.08Å; L22-D26 WeakPolarHBondContact O-CB 3.37Å; L22-D26 PolarHBondContact O-N 3.14Å; L22-K56 HydrophobicContact CD2-CG 3.97Å; L22-Y59 HydrophobicContact CD2-CD1 4.03Å; L22-Y59 HydrophobicContact CD2-CE1 4.31Å; L22-Y59 HydrophobicContact CG-CE1 4.47Å; L22-I60 HydrophobicContact CD1-CD1 4.17Å; L22-I60 HydrophobicContact CD2-CD1 3.95Å; L22-I60 HydrophobicContact CD2-CG1 4.25Å; L22-Y83 HydrophobicContact CB-CD1 4.14Å; L22-Y83 HydrophobicContact CB-CE1 4.41Å; L22-Y83 HydrophobicContact CD1-CD1 3.85Å; L22-Y83 HydrophobicContact CD1-CE1 4.45Å; L22-Y83 HydrophobicContact CD1-CG 4.13Å; L22-Y83 HydrophobicContact CD2-CD1 4.38Å; L22-Y83 HydrophobicContact CG-CD1 4.36Å
23D96.5Very high96.4Very high53 Ų5361.2 Ų61.228%0.28331%0.306SS..Hα-helixtrans-66.3-39.2176.2-83.6-15.2000111.5R6 E19 D26 Q27R6-D23 IonicContact NH2-OD1 3.01Å; R6-D23 PolarHBondContact NH2-OD1 3.21Å; E19-D23 WeakPolarHBondContact O-CB 3.39Å; E19-D23 PolarHBondContact O-N 3.07Å; D23-D26 PolarHBondContact O-N 3.49Å; D23-Q27 WeakPolarHBondContact O-CB 3.33Å; D23-Q27 PolarHBondContact O-N 2.96Å
24E97.9Very high96.3Very high104 Ų10459.9 Ų59.949%0.48630%0.303SS..Hα-helixtrans-61-44.4172.8-169.9-166.115600111.4P20 Q27 K28P20-E24 WeakPolarHBondContact O-CB 3.32Å; P20-E24 PolarHBondContact O-N 3.45Å; E24-Q27 PolarHBondContact O-N 3.09Å; E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 3.31Å; E24-K28 VanDerWaalsContact OE1-CE 3.29Å; E24-K28 WeakPolarHBondContact OE1-CE 3.43Å; E24-K28 IonicContact OE1-NZ 2.63Å; E24-K28 PolarHBondContact OE1-NZ 3.15Å
25L97.7Very high96.2Very high4 Ų463.2 Ų63.22%0.02132%0.315CS..Hα-helixtrans-67.1-36.8177.4-69.5171.6000112.1T21 L22 Q27 K28 M29 I52 Q55 K56T21-L25 HydrophobicContact CG2-CD1 4.31Å; T21-L25 VanDerWaalsContact O-CG 3.29Å; T21-L25 WeakPolarHBondContact O-CG 3.48Å; T21-L25 PolarHBondContact O-N 2.84Å; T21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 3.08Å; L25-Q27 VanDerWaalsContact C-N 3.35Å; L25-K28 PolarHBondContact O-N 2.86Å; L25-M29 PolarHBondContact O-N 2.92Å; L25-I52 WeakPolarHBondContact O-CG2 3.45Å; L25-Q55 HydrophobicContact CD2-CB 4.49Å; L25-Q55 VanDerWaalsContact CD2-CD 3.47Å; L25-Q55 HydrophobicContact CD2-CG 3.87Å; L25-K56 HydrophobicContact CB-CG 4.39Å; L25-K56 HydrophobicContact CD1-CB 4.02Å; L25-K56 HydrophobicContact CD1-CG 4.06Å
26D96.3Very high95.9Very high32 Ų3267.4 Ų67.417%0.17134%0.343CS..Hα-helixtrans-69.3-33.9174.8-82.3-27.8000112.3L22 D23 M29 R30 K56L22-D26 WeakPolarHBondContact O-CB 3.37Å; L22-D26 PolarHBondContact O-N 3.14Å; D23-D26 PolarHBondContact O-N 3.49Å; D26-M29 WeakPolarHBondContact O-CB 3.48Å; D26-M29 PolarHBondContact O-N 2.86Å; D26-R30 WeakPolarHBondContact O-CG 3.24Å; D26-R30 PolarHBondContact O-N 3.01Å; D26-K56 IonicContact OD1-NZ 3.61Å; D26-K56 PolarHBondContact OD1-NZ 2.79Å; D26-K56 IonicContact OD2-NZ 2.67Å; D26-K56 PolarHBondContact OD2-NZ 3.22Å
27Q96.9Very high95.6Very high81 Ų8166.4 Ų66.438%0.37934%0.339SS..Hα-helixtrans-63.9-48.1172-178.655.628.700111.1D23 E24 L25 M29 R30 E31D23-Q27 WeakPolarHBondContact O-CB 3.33Å; D23-Q27 PolarHBondContact O-N 2.96Å; E24-Q27 PolarHBondContact O-N 3.09Å; L25-Q27 VanDerWaalsContact C-N 3.35Å; Q27-M29 VanDerWaalsContact C-N 3.25Å; Q27-M29 PolarHBondContact O-N 2.84Å; Q27-R30 WeakPolarHBondContact O-CB 3.4Å; Q27-R30 PolarHBondContact O-N 3.32Å; Q27-R30 VanDerWaalsContact O-N 3.12Å; Q27-R30 VanDerWaalsContact OE1-NE 3.1Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.37Å; Q27-E31 PolarHBondContact NE2-OE1 3.09Å; Q27-E31 WeakPolarHBondContact O-CG 3.47Å; Q27-E31 PolarHBondContact O-N 2.63Å
28K97.7Very high95.3Very high76 Ų7668.8 Ų68.833%0.3335%0.346SS..Hα-helixtrans-59.1-37.3173.9-70.8174.9-175168.80112.3E24 L25 E31 A32 I52E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 3.31Å; E24-K28 VanDerWaalsContact OE1-CE 3.29Å; E24-K28 WeakPolarHBondContact OE1-CE 3.43Å; E24-K28 IonicContact OE1-NZ 2.63Å; E24-K28 PolarHBondContact OE1-NZ 3.15Å; L25-K28 PolarHBondContact O-N 2.86Å; K28-E31 PolarHBondContact O-N 3.42Å; K28-A32 WeakPolarHBondContact O-CB 3.29Å; K28-A32 PolarHBondContact O-N 3.42Å; K28-I52 HydrophobicContact CB-CD1 3.93Å; K28-I52 HydrophobicContact CB-CG1 4.43Å; K28-I52 WeakPolarHBondContact O-CD1 3.29Å
29M96.9Very high95Very high18 Ų1873 Ų739%0.08939%0.391CS..Hα-helixtrans-62.9-45.4176.3-173.764.782.400111L25 D26 Q27 E31 A32 E33 I49 I52 H53L25-M29 PolarHBondContact O-N 2.92Å; D26-M29 WeakPolarHBondContact O-CB 3.48Å; D26-M29 PolarHBondContact O-N 2.86Å; Q27-M29 VanDerWaalsContact C-N 3.25Å; Q27-M29 PolarHBondContact O-N 2.84Å; M29-E31 PolarHBondContact O-N 2.9Å; M29-A32 PolarHBondContact O-N 3.4Å; M29-E33 WeakPolarHBondContact O-CG 3.47Å; M29-E33 PolarHBondContact O-N 3.28Å; M29-I49 HydrophobicContact CE-CG2 4.37Å; M29-I49 HydrophobicContact SD-CB 4.13Å; M29-I49 HydrophobicContact SD-CG1 4.18Å; M29-I49 HydrophobicContact SD-CG2 3.75Å; M29-I52 HydrophobicContact CB-CG2 4.1Å; M29-I52 HydrophobicContact CE-CB 3.87Å; M29-I52 HydrophobicContact CE-CG2 3.7Å; M29-I52 HydrophobicContact SD-CB 4.39Å; M29-I52 HydrophobicContact SD-CG2 4.38Å; M29-H53 HydrophobicContact CE-CB 4.14Å
30R96.2Very high94.6Very high123 Ų12374 Ų7446%0.46439%0.394SS..Hα-helixtrans-60.9-45.1176.8-72.4-176-70.7-100.56.5111.6D26 Q27 A32 E33 T34D26-R30 WeakPolarHBondContact O-CG 3.24Å; D26-R30 PolarHBondContact O-N 3.01Å; Q27-R30 WeakPolarHBondContact O-CB 3.4Å; Q27-R30 PolarHBondContact O-N 3.32Å; Q27-R30 VanDerWaalsContact O-N 3.12Å; Q27-R30 VanDerWaalsContact OE1-NE 3.1Å; R30-A32 PolarHBondContact O-N 3.32Å; R30-E33 PolarHBondContact O-N 2.87Å; R30-T34 WeakPolarHBondContact O-CG2 3.34Å; R30-T34 PolarHBondContact O-N 3.28Å; R30-T34 VanDerWaalsContact O-N 3.11Å; R30-T34 PolarHBondContact O-OG1 3.42Å
31E96.3Very high94.2Very high100 Ų10076.2 Ų76.247%0.46739%0.392SS..Hα-helixtrans-59.3-48.1177.3-72.2165.2-165.900111.3Q27 K28 M29 E33 T34 E35Q27-E31 WeakPolarHBondContact CG-OE1 3.37Å; Q27-E31 PolarHBondContact NE2-OE1 3.09Å; Q27-E31 WeakPolarHBondContact O-CG 3.47Å; Q27-E31 PolarHBondContact O-N 2.63Å; K28-E31 PolarHBondContact O-N 3.42Å; M29-E31 PolarHBondContact O-N 2.9Å; E31-E33 VanDerWaalsContact C-N 3.33Å; E31-E33 PolarHBondContact O-N 3.38Å; E31-T34 CarbonylContact O-C 3.56Å; E31-T34 PolarHBondContact O-N 3.36Å; E31-T34 VanDerWaalsContact O-N 3.08Å; E31-T34 PolarHBondContact O-OG1 2.83Å; E31-E35 PolarHBondContact O-N 3.48Å
32A95.4Very high93.7Very high9 Ų982.6 Ų82.67%0.07442%0.415CS..Hα-helixtrans-61.6-37.5176.700000113.3K28 M29 R30 T34 P48 I49 I52K28-A32 WeakPolarHBondContact O-CB 3.29Å; K28-A32 PolarHBondContact O-N 3.42Å; M29-A32 PolarHBondContact O-N 3.4Å; R30-A32 PolarHBondContact O-N 3.32Å; A32-T34 VanDerWaalsContact C-N 3.25Å; A32-T34 PolarHBondContact O-N 3.33Å; A32-P48 HydrophobicContact CB-CB 3.88Å; A32-I49 HydrophobicContact CB-CG1 4.1Å; A32-I52 HydrophobicContact CB-CD1 3.88Å
33E93.8Very high93.3Very high89 Ų8985.2 Ų85.242%0.41643%0.431SS..Hα-helixtrans-68.1-24.4175.5-75.1-177.5148.100112.4M1 M29 R30 E31 I49M1-E33 PolarHBondContact N-OE1 2.9Å; M29-E33 WeakPolarHBondContact O-CG 3.47Å; M29-E33 PolarHBondContact O-N 3.28Å; R30-E33 PolarHBondContact O-N 2.87Å; E31-E33 VanDerWaalsContact C-N 3.33Å; E31-E33 PolarHBondContact O-N 3.38Å; E33-I49 HydrophobicContact CG-CD1 3.96Å; E33-I49 HydrophobicContact CG-CG1 4.29Å
34T93.7Very high93.1Very high114 Ų11485 Ų8570%0.69943%0.428SS*.Hα-helixtrans-101.2-8.2179.958.30000114.8R30 E31 A32R30-T34 WeakPolarHBondContact O-CG2 3.34Å; R30-T34 PolarHBondContact O-N 3.28Å; R30-T34 VanDerWaalsContact O-N 3.11Å; R30-T34 PolarHBondContact O-OG1 3.42Å; E31-T34 CarbonylContact O-C 3.56Å; E31-T34 PolarHBondContact O-N 3.36Å; E31-T34 VanDerWaalsContact O-N 3.08Å; E31-T34 PolarHBondContact O-OG1 2.83Å; A32-T34 VanDerWaalsContact C-N 3.25Å; A32-T34 PolarHBondContact O-N 3.33Å
35E91.9Very high92.8Very high82 Ų8280.4 Ų80.438%0.38341%0.408SS..SBendtrans-61.8135.7-176.5-170.1-177.7-129.200110.9E31 H37 K40E31-E35 PolarHBondContact O-N 3.48Å; E35-H37 PolarHBondContact O-CE1 3.01Å; E35-H37 PolarHBondContact O-ND1 3.33Å; E35-K40 VanDerWaalsContact CD-NZ 3.28Å; E35-K40 IonicContact OE1-NZ 2.79Å; E35-K40 IonicContact OE2-NZ 2.92Å; E35-K40 PolarHBondContact OE2-NZ 3.4Å
36P90.2Very high92.6Very high97 Ų9782.9 Ų82.963%0.6342%0.421SS*.  trans-56.4141.3173.3-25.234.4000112.4
37H89.6Confident92.6Very high89 Ų8982.5 Ų82.541%0.41242%0.417SS..  trans-105.39.2-177.1-55.7-22.7000113.1E35 G39 K40 S45E35-H37 PolarHBondContact O-CE1 3.01Å; E35-H37 PolarHBondContact O-ND1 3.33Å; H37-G39 PolarHBondContact O-N 2.74Å; H37-K40 PolarHBondContact O-N 2.73Å; H37-K40 VanDerWaalsContact O-N 3.12Å; H37-S45 VanDerWaalsContact CG-CB 3.48Å; H37-S45 VanDerWaalsContact ND1-CB 3.31Å; H37-S45 WeakPolarHBondContact ND1-CB 3.37Å
38E88.7Confident92.5Very high181 Ų18180.5 Ų80.585%0.84641%0.411SS*.THydrogen-bonded Turntrans-59.9133.4-178.9-66.5-176.7-175.700111.3K40E38-K40 PolarHBondContact O-N 3.38Å; E38-K40 VanDerWaalsContact O-N 3.15Å
39G90.2Very high92.4Very high92 Ų9278.6 Ų78.695%0.94840%0.404SS*.THydrogen-bonded Turntrans74.2-8.8-176.800000115.7H37H37-G39 PolarHBondContact O-N 2.74Å
40K88.9Confident92.4Very high80 Ų8079.3 Ų79.335%0.34841%0.407SS..SBendtrans-94144.9179-64.9175.4-177.5160.10110.9E35 H37 E38 E44E35-K40 VanDerWaalsContact CD-NZ 3.28Å; E35-K40 IonicContact OE1-NZ 2.79Å; E35-K40 IonicContact OE2-NZ 2.92Å; E35-K40 PolarHBondContact OE2-NZ 3.4Å; H37-K40 PolarHBondContact O-N 2.73Å; H37-K40 VanDerWaalsContact O-N 3.12Å; E38-K40 PolarHBondContact O-N 3.38Å; E38-K40 VanDerWaalsContact O-N 3.15Å; K40-E44 HydrophobicContact CB-CB 4.21Å
41R89.2Confident92.4Very high130 Ų13079.2 Ų79.249%0.49141%0.406SS..  trans-64.3148.4164.5-63.3-179.2-68.3169.8-1108.8V43 E44 S45R41-V43 HydrophobicContact CB-CG2 4.18Å; R41-V43 PolarHBondContact O-N 2.86Å; R41-E44 HydrophobicContact CB-CB 4.47Å; R41-E44 HydrophobicContact CB-CG 4.1Å; R41-E44 WeakPolarHBondContact CB-OE2 3.45Å; R41-E44 IonicContact CZ-OE1 3.18Å; R41-E44 PolarHBondContact N-OE2 3.12Å; R41-E44 VanDerWaalsContact NE-CD 3.3Å; R41-E44 IonicContact NE-OE1 2.83Å; R41-E44 PolarHBondContact NE-OE1 3Å; R41-E44 IonicContact NE-OE2 3.67Å; R41-E44 IonicContact NH2-OE1 2.69Å; R41-E44 PolarHBondContact NH2-OE1 2.99Å; R41-E44 WeakPolarHBondContact O-CA 3.39Å; R41-E44 WeakPolarHBondContact O-CB 3.35Å; R41-E44 PolarHBondContact O-N 3.02Å; R41-S45 PolarHBondContact O-N 3.31Å
42K86.1Confident92.4Very high181 Ų18175.2 Ų75.279%0.78739%0.388SS*.THydrogen-bonded Turntrans-50.8-31.7176.5-176.7177.7-178.7177.40113.9S45K42-S45 PolarHBondContact O-OG 3.33Å
43V89.1Confident92.5Very high54 Ų5476.8 Ų76.833%0.32739%0.394SS..THydrogen-bonded Turntrans-76.6-33.5177.5-62.30000112.4R41 L46 W47 T135R41-V43 HydrophobicContact CB-CG2 4.18Å; R41-V43 PolarHBondContact O-N 2.86Å; V43-L46 WeakPolarHBondContact O-CB 3.39Å; V43-L46 PolarHBondContact O-N 3.01Å; V43-L46 VanDerWaalsContact O-N 3.15Å; V43-W47 PolarHBondContact O-N 3.35Å; V43-W47 PolarHBondContact O-NE1 2.81Å; V43-T135 WeakPolarHBondContact CB-O 3.2Å; V43-T135 WeakPolarHBondContact CG2-O 3.2Å
44E92.2Very high92.6Very high49 Ų4975 Ų7523%0.22939%0.385CS..G310 helixtrans-69.6-35.6-179.2-70.3168.9166.400111.6K40 R41 L46 W47 P48K40-E44 HydrophobicContact CB-CB 4.21Å; R41-E44 HydrophobicContact CB-CB 4.47Å; R41-E44 HydrophobicContact CB-CG 4.1Å; R41-E44 WeakPolarHBondContact CB-OE2 3.45Å; R41-E44 IonicContact CZ-OE1 3.18Å; R41-E44 PolarHBondContact N-OE2 3.12Å; R41-E44 VanDerWaalsContact NE-CD 3.3Å; R41-E44 IonicContact NE-OE1 2.83Å; R41-E44 PolarHBondContact NE-OE1 3Å; R41-E44 IonicContact NE-OE2 3.67Å; R41-E44 IonicContact NH2-OE1 2.69Å; R41-E44 PolarHBondContact NH2-OE1 2.99Å; R41-E44 WeakPolarHBondContact O-CA 3.39Å; R41-E44 WeakPolarHBondContact O-CB 3.35Å; R41-E44 PolarHBondContact O-N 3.02Å; E44-L46 PolarHBondContact O-N 2.86Å; E44-W47 HydrophobicContact CB-CD2 4.43Å; E44-W47 HydrophobicContact CG-CD2 4.26Å; E44-W47 HydrophobicContact CG-CE3 4.26Å; E44-W47 HydrophobicContact CG-CH2 3.72Å; E44-W47 HydrophobicContact CG-CZ2 3.73Å; E44-W47 HydrophobicContact CG-CZ3 4.01Å; E44-W47 WeakPolarHBondContact O-CB 3.44Å; E44-W47 PolarHBondContact O-N 3.43Å; E44-W47 VanDerWaalsContact O-N 3.11Å; E44-P48 WeakPolarHBondContact O-CD 3.36Å
45S92.6Very high92.8Very high7 Ų774.2 Ų74.25%0.04937%0.374CS..G310 helixtrans-62.6-24.1172.6610000113.1H37 R41 K42H37-S45 VanDerWaalsContact CG-CB 3.48Å; H37-S45 VanDerWaalsContact ND1-CB 3.31Å; H37-S45 WeakPolarHBondContact ND1-CB 3.37Å; R41-S45 PolarHBondContact O-N 3.31Å; K42-S45 PolarHBondContact O-OG 3.33Å
46L93.3Very high93.1Very high56 Ų5670.9 Ų70.929%0.29336%0.358SS..G310 helixtrans-87-13.8176.7-61.1176.4000113.3V43 E44 I49 F50V43-L46 WeakPolarHBondContact O-CB 3.39Å; V43-L46 PolarHBondContact O-N 3.01Å; V43-L46 VanDerWaalsContact O-N 3.15Å; E44-L46 PolarHBondContact O-N 2.86Å; L46-I49 HydrophobicContact CD2-CD1 4.01Å; L46-I49 WeakPolarHBondContact O-CB 3.13Å; L46-I49 PolarHBondContact O-N 3.06Å; L46-F50 HydrophobicContact CB-CD2 4.1Å; L46-F50 HydrophobicContact CB-CE2 4.06Å; L46-F50 VanDerWaalsContact O-CD2 3.28Å; L46-F50 WeakPolarHBondContact O-CD2 3.17Å; L46-F50 PolarHBondContact O-N 3.48Å
47W95.4Very high93.5Very high24 Ų2466.3 Ų66.39%0.09133%0.328CS..Hα-helixtrans-60.7-44.7-175.9-68.3-2.5000113.6V43 E44 I49 F50 R51 E133 T135 C137V43-W47 PolarHBondContact O-N 3.35Å; V43-W47 PolarHBondContact O-NE1 2.81Å; E44-W47 HydrophobicContact CB-CD2 4.43Å; E44-W47 HydrophobicContact CG-CD2 4.26Å; E44-W47 HydrophobicContact CG-CE3 4.26Å; E44-W47 HydrophobicContact CG-CH2 3.72Å; E44-W47 HydrophobicContact CG-CZ2 3.73Å; E44-W47 HydrophobicContact CG-CZ3 4.01Å; E44-W47 WeakPolarHBondContact O-CB 3.44Å; E44-W47 PolarHBondContact O-N 3.43Å; E44-W47 VanDerWaalsContact O-N 3.11Å; W47-I49 VanDerWaalsContact C-N 3.29Å; W47-I49 PolarHBondContact O-N 3.26Å; W47-F50 PolarHBondContact O-N 2.85Å; W47-R51 WeakPolarHBondContact O-CG 3.11Å; W47-R51 PolarHBondContact O-N 3.41Å; W47-E133 HydrophobicContact CH2-CG 3.6Å; W47-E133 VanDerWaalsContact CH2-OE1 3.23Å; W47-E133 WeakPolarHBondContact CH2-OE1 3.3Å; W47-E133 HydrophobicContact CZ2-CG 4.22Å; W47-E133 HydrophobicContact CZ3-CG 4.02Å; W47-T135 PolarHBondContact NE1-O 2.92Å; W47-C137 VanDerWaalsContact CD1-C 3.48Å
48P95.5Very high93.9Very high39 Ų3964.1 Ų64.125%0.25332%0.316SS..Hα-helixtrans-58.1-42.9175.7-2435.4000111.8A32 E44 F50 R51 I52A32-P48 HydrophobicContact CB-CB 3.88Å; E44-P48 WeakPolarHBondContact O-CD 3.36Å; P48-F50 PolarHBondContact O-N 2.61Å; P48-R51 PolarHBondContact O-N 2.81Å; P48-R51 VanDerWaalsContact O-N 3.17Å; P48-I52 WeakPolarHBondContact O-CD1 3.41Å; P48-I52 VanDerWaalsContact O-CG1 3.24Å; P48-I52 WeakPolarHBondContact O-CG1 2.97Å; P48-I52 PolarHBondContact O-N 3.36Å
49I95.8Very high94.3Very high36 Ų3657.8 Ų57.819%0.18529%0.285CS..Hα-helixtrans-58-48.8176.8-64.2170.4000110.7M29 A32 E33 L46 W47 R51 I52 H53M29-I49 HydrophobicContact CE-CG2 4.37Å; M29-I49 HydrophobicContact SD-CB 4.13Å; M29-I49 HydrophobicContact SD-CG1 4.18Å; M29-I49 HydrophobicContact SD-CG2 3.75Å; A32-I49 HydrophobicContact CB-CG1 4.1Å; E33-I49 HydrophobicContact CG-CD1 3.96Å; E33-I49 HydrophobicContact CG-CG1 4.29Å; L46-I49 HydrophobicContact CD2-CD1 4.01Å; L46-I49 WeakPolarHBondContact O-CB 3.13Å; L46-I49 PolarHBondContact O-N 3.06Å; W47-I49 VanDerWaalsContact C-N 3.29Å; W47-I49 PolarHBondContact O-N 3.26Å; I49-R51 VanDerWaalsContact C-N 3.34Å; I49-R51 PolarHBondContact O-N 3.11Å; I49-I52 PolarHBondContact O-N 3.33Å; I49-H53 WeakPolarHBondContact O-CB 3.46Å; I49-H53 PolarHBondContact O-N 2.84Å
50F96.1Very high94.7Very high33 Ų3353.4 Ų53.415%0.14524%0.24CC..Hα-helixtrans-63.1-38.9177.1-83.8-72.9000113L46 W47 P48 H54 C102 R104 H136 C137L46-F50 HydrophobicContact CB-CD2 4.1Å; L46-F50 HydrophobicContact CB-CE2 4.06Å; L46-F50 VanDerWaalsContact O-CD2 3.28Å; L46-F50 WeakPolarHBondContact O-CD2 3.17Å; L46-F50 PolarHBondContact O-N 3.48Å; W47-F50 PolarHBondContact O-N 2.85Å; P48-F50 PolarHBondContact O-N 2.61Å; F50-H54 WeakPolarHBondContact O-CB 3.47Å; F50-H54 PolarHBondContact O-N 2.88Å; F50-C102 HydrophobicContact CD1-CB 3.9Å; F50-C102 HydrophobicContact CE1-CB 4.35Å; F50-R104 HydrophobicContact CE1-CG 4.45Å; F50-R104 HydrophobicContact CZ-CG 4.45Å; F50-H136 WeakPolarHBondContact CD2-O 3.4Å; F50-C137 HydrophobicContact CB-CB 3.56Å; F50-C137 HydrophobicContact CD2-CB 4.49Å; F50-C137 HydrophobicContact CG-CB 3.96Å
51R95.6Very high95.1Very high121 Ų12150.5 Ų50.546%0.45723%0.227SC..Hα-helixtrans-66.7-43.6178.9-72.4175.4-176.9176.90.7111.6W47 P48 I49 H54 Q55 G138W47-R51 WeakPolarHBondContact O-CG 3.11Å; W47-R51 PolarHBondContact O-N 3.41Å; P48-R51 PolarHBondContact O-N 2.81Å; P48-R51 VanDerWaalsContact O-N 3.17Å; I49-R51 VanDerWaalsContact C-N 3.34Å; I49-R51 PolarHBondContact O-N 3.11Å; R51-H54 WeakPolarHBondContact O-CB 3.49Å; R51-H54 PolarHBondContact O-N 2.93Å; R51-Q55 WeakPolarHBondContact O-CB 3.46Å; R51-Q55 PolarHBondContact O-N 3.29Å; R51-G138 PolarHBondContact NH2-O 3.13Å
52I97.3Very high95.5Very high17 Ų1745.8 Ų45.89%0.08721%0.212CC..Hα-helixtrans-66.8-43177.7-63.4160.6000110.1L25 K28 M29 A32 P48 I49 H54 Q55 K56L25-I52 WeakPolarHBondContact O-CG2 3.45Å; K28-I52 HydrophobicContact CB-CD1 3.93Å; K28-I52 HydrophobicContact CB-CG1 4.43Å; K28-I52 WeakPolarHBondContact O-CD1 3.29Å; M29-I52 HydrophobicContact CB-CG2 4.1Å; M29-I52 HydrophobicContact CE-CB 3.87Å; M29-I52 HydrophobicContact CE-CG2 3.7Å; M29-I52 HydrophobicContact SD-CB 4.39Å; M29-I52 HydrophobicContact SD-CG2 4.38Å; A32-I52 HydrophobicContact CB-CD1 3.88Å; P48-I52 WeakPolarHBondContact O-CD1 3.41Å; P48-I52 VanDerWaalsContact O-CG1 3.24Å; P48-I52 WeakPolarHBondContact O-CG1 2.97Å; P48-I52 PolarHBondContact O-N 3.36Å; I49-I52 PolarHBondContact O-N 3.33Å; I52-H54 VanDerWaalsContact C-N 3.33Å; I52-H54 PolarHBondContact O-N 3.42Å; I52-Q55 PolarHBondContact O-N 3.17Å; I52-Q55 VanDerWaalsContact O-N 3.17Å; I52-K56 WeakPolarHBondContact O-CB 3.45Å; I52-K56 PolarHBondContact O-N 3.41Å
53H97.3Very high96.1Very high41 Ų4137.7 Ų37.719%0.1918%0.177CC..Hα-helixtrans-57.5-46.1175.2-177.555.8000112.4M29 I49 T57 D85M29-H53 HydrophobicContact CE-CB 4.14Å; I49-H53 WeakPolarHBondContact O-CB 3.46Å; I49-H53 PolarHBondContact O-N 2.84Å; H53-T57 WeakPolarHBondContact O-CB 3.46Å; H53-T57 PolarHBondContact O-N 3.29Å; H53-T57 PolarHBondContact O-OG1 2.78Å; H53-D85 IonicContact CE1-OD2 2.85Å; H53-D85 WeakPolarHBondContact NE2-CB 3.36Å; H53-D85 IonicContact NE2-OD2 3.38Å; H53-D85 PolarHBondContact NE2-OD2 2.88Å
54H97Very high96.5Very high52 Ų5237.1 Ų37.124%0.24117%0.17CC..Hα-helixtrans-59.6-50.3173.4169.3-89.4000111.4F50 R51 I52 K56 T57 R58 W92 C101F50-H54 WeakPolarHBondContact O-CB 3.47Å; F50-H54 PolarHBondContact O-N 2.88Å; R51-H54 WeakPolarHBondContact O-CB 3.49Å; R51-H54 PolarHBondContact O-N 2.93Å; I52-H54 VanDerWaalsContact C-N 3.33Å; I52-H54 PolarHBondContact O-N 3.42Å; H54-K56 PolarHBondContact O-N 3.04Å; H54-T57 PolarHBondContact O-N 2.78Å; H54-R58 WeakPolarHBondContact O-CB 3.38Å; H54-R58 PolarHBondContact O-N 3.08Å; H54-W92 AromaticContact CD2-CZ2 3.68Å; H54-W92 AromaticContact NE2-CZ2 3.81Å; H54-C101 WeakPolarHBondContact CB-O 3.42Å; H54-C101 PolarHBondContact CD2-O 3.41Å; H54-C101 VanDerWaalsContact CD2-O 3.29Å
55Q97.3Very high96.8Very high97 Ų9739.1 Ų39.145%0.45318%0.176SC..Hα-helixtrans-59.2-47.4-178-178176.35.800111.6L25 R51 I52 R58 Y59L25-Q55 HydrophobicContact CD2-CB 4.49Å; L25-Q55 VanDerWaalsContact CD2-CD 3.47Å; L25-Q55 HydrophobicContact CD2-CG 3.87Å; R51-Q55 WeakPolarHBondContact O-CB 3.46Å; R51-Q55 PolarHBondContact O-N 3.29Å; I52-Q55 PolarHBondContact O-N 3.17Å; I52-Q55 VanDerWaalsContact O-N 3.17Å; Q55-R58 PolarHBondContact O-N 2.95Å; Q55-Y59 WeakPolarHBondContact O-CB 3.24Å; Q55-Y59 PolarHBondContact O-N 3.12Å
56K97.9Very high96.9Very high13 Ų1344.4 Ų44.46%0.05720%0.198CC..Hα-helixtrans-60.9-49178.2-163-173.4-175.7179.80111.8L22 L25 D26 I52 H54 R58 Y59 I60 Y83L22-K56 HydrophobicContact CD2-CG 3.97Å; L25-K56 HydrophobicContact CB-CG 4.39Å; L25-K56 HydrophobicContact CD1-CB 4.02Å; L25-K56 HydrophobicContact CD1-CG 4.06Å; D26-K56 IonicContact OD1-NZ 3.61Å; D26-K56 PolarHBondContact OD1-NZ 2.79Å; D26-K56 IonicContact OD2-NZ 2.67Å; D26-K56 PolarHBondContact OD2-NZ 3.22Å; I52-K56 WeakPolarHBondContact O-CB 3.45Å; I52-K56 PolarHBondContact O-N 3.41Å; H54-K56 PolarHBondContact O-N 3.04Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-R58 PolarHBondContact O-N 3.38Å; K56-Y59 PolarHBondContact O-N 3.46Å; K56-I60 PolarHBondContact O-N 3.31Å; K56-Y83 WeakPolarHBondContact CD-O 3.43Å; K56-Y83 VanDerWaalsContact CE-CD1 3.43Å; K56-Y83 WeakPolarHBondContact CG-O 3.36Å; K56-Y83 VanDerWaalsContact NZ-CD1 3.26Å
57T98.1Very high97.1Very high0 Ų050 Ų500%022%0.216CC..Hα-helixtrans-64-39.2177.3-58.10000111.6H53 H54 F61 A84 D85 L88 I89 W92H53-T57 WeakPolarHBondContact O-CB 3.46Å; H53-T57 PolarHBondContact O-N 3.29Å; H53-T57 PolarHBondContact O-OG1 2.78Å; H54-T57 PolarHBondContact O-N 2.78Å; T57-F61 WeakPolarHBondContact O-CB 3.35Å; T57-F61 PolarHBondContact O-N 2.91Å; T57-A84 HydrophobicContact CG2-CB 4.33Å; T57-D85 HydrophobicContact CG2-CB 3.94Å; T57-D85 PolarHBondContact OG1-N 3.34Å; T57-D85 VanDerWaalsContact OG1-N 3.12Å; T57-L88 HydrophobicContact CG2-CB 4.44Å; T57-L88 HydrophobicContact CG2-CD2 4.25Å; T57-I89 HydrophobicContact CG2-CD1 3.9Å; T57-I89 HydrophobicContact CG2-CG1 3.67Å; T57-W92 HydrophobicContact CG2-CH2 3.75Å; T57-W92 HydrophobicContact CG2-CZ3 3.68Å
58R97.8Very high97.1Very high43 Ų4357.2 Ų57.216%0.16225%0.248CC..Hα-helixtrans-68.9-38.2-179-172.157.6166-142.8-8.1111.9H54 Q55 K56 F61 D62 W92 E98H54-R58 WeakPolarHBondContact O-CB 3.38Å; H54-R58 PolarHBondContact O-N 3.08Å; Q55-R58 PolarHBondContact O-N 2.95Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-R58 PolarHBondContact O-N 3.38Å; R58-F61 PolarHBondContact O-N 3.21Å; R58-D62 IonicContact NE-OD1 2.8Å; R58-D62 PolarHBondContact NE-OD1 3.41Å; R58-D62 IonicContact NE-OD2 3.15Å; R58-D62 WeakPolarHBondContact O-CB 3.5Å; R58-D62 PolarHBondContact O-N 3.12Å; R58-W92 HydrophobicContact CB-CH2 3.7Å; R58-W92 HydrophobicContact CB-CZ2 4.46Å; R58-W92 HydrophobicContact CB-CZ3 4.19Å; R58-W92 HydrophobicContact CG-CH2 4.36Å; R58-E98 PolarHBondContact NH1-O 3.38Å; R58-E98 PolarHBondContact NH2-O 3.5Å
59Y98.3Very high97.1Very high49 Ų4958.4 Ų58.419%0.19226%0.261CS..Hα-helixtrans-57.3-52.9174.9175.8-111.2000111.3I18 T21 L22 Q55 K56 F61 D62 L63I18-Y59 HydrophobicContact CB-CE1 4.23Å; T21-Y59 HydrophobicContact CG2-CD1 4.18Å; T21-Y59 HydrophobicContact CG2-CD2 4.27Å; T21-Y59 HydrophobicContact CG2-CE1 3.79Å; T21-Y59 HydrophobicContact CG2-CE2 3.89Å; T21-Y59 HydrophobicContact CG2-CG 4.39Å; T21-Y59 PolarHBondContact OG1-OH 3.36Å; L22-Y59 HydrophobicContact CD2-CD1 4.03Å; L22-Y59 HydrophobicContact CD2-CE1 4.31Å; L22-Y59 HydrophobicContact CG-CE1 4.47Å; Q55-Y59 WeakPolarHBondContact O-CB 3.24Å; Q55-Y59 PolarHBondContact O-N 3.12Å; K56-Y59 PolarHBondContact O-N 3.46Å; Y59-F61 VanDerWaalsContact C-N 3.34Å; Y59-F61 PolarHBondContact O-N 3.07Å; Y59-D62 PolarHBondContact O-N 2.88Å; Y59-L63 HydrophobicContact CD1-CD1 3.96Å; Y59-L63 HydrophobicContact CD2-CD1 4.32Å; Y59-L63 HydrophobicContact CD2-CG 4.43Å; Y59-L63 HydrophobicContact CE1-CD1 3.49Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.49Å; Y59-L63 HydrophobicContact CE2-CD1 3.9Å; Y59-L63 HydrophobicContact CE2-CD2 4.4Å; Y59-L63 HydrophobicContact CE2-CG 4.17Å; Y59-L63 HydrophobicContact CG-CD1 4.36Å; Y59-L63 VanDerWaalsContact CZ-CD1 3.46Å; Y59-L63 WeakPolarHBondContact O-CB 3.17Å; Y59-L63 VanDerWaalsContact O-CG 3.32Å; Y59-L63 WeakPolarHBondContact O-CG 3.36Å; Y59-L63 PolarHBondContact O-N 2.94Å
60I98.2Very high97.2Very high0 Ų057.6 Ų57.60%026%0.257CS..Hα-helixtrans-61.2-42.7176.9-63-57.1000111.9I18 L22 K56 L63 F64 I70 Y75 C78 A84I18-I60 HydrophobicContact CD1-CD1 4.14Å; L22-I60 HydrophobicContact CD1-CD1 4.17Å; L22-I60 HydrophobicContact CD2-CD1 3.95Å; L22-I60 HydrophobicContact CD2-CG1 4.25Å; K56-I60 PolarHBondContact O-N 3.31Å; I60-L63 PolarHBondContact O-N 3.14Å; I60-F64 PolarHBondContact O-N 3.41Å; I60-F64 VanDerWaalsContact O-N 3.14Å; I60-I70 HydrophobicContact CG2-CD1 4.49Å; I60-Y75 HydrophobicContact CG2-CD2 3.74Å; I60-Y75 HydrophobicContact CG2-CE2 4.07Å; I60-C78 HydrophobicContact CD1-CB 4.25Å; I60-C78 HydrophobicContact CG1-CB 4.4Å; I60-C78 HydrophobicContact CG2-CB 4.04Å; I60-A84 HydrophobicContact CB-CB 3.95Å; I60-A84 HydrophobicContact CG1-CB 4.18Å; I60-A84 HydrophobicContact CG2-CB 3.87Å
61F98.1Very high97.3Very high18 Ų1858.6 Ų58.68%0.07927%0.267CS..Hα-helixtrans-60.3-48.5177.2175.7-93.3000112.3T57 R58 Y59 F64 Y65 I89 W92T57-F61 WeakPolarHBondContact O-CB 3.35Å; T57-F61 PolarHBondContact O-N 2.91Å; R58-F61 PolarHBondContact O-N 3.21Å; Y59-F61 VanDerWaalsContact C-N 3.34Å; Y59-F61 PolarHBondContact O-N 3.07Å; F61-F64 PolarHBondContact O-N 3.26Å; F61-Y65 AromaticContact CD2-CD2 3.39Å; F61-Y65 HydrophobicContact CD2-CD2 3.39Å; F61-Y65 AromaticContact CD2-CE2 3.93Å; F61-Y65 HydrophobicContact CD2-CE2 3.93Å; F61-Y65 HydrophobicContact CD2-CG 4.32Å; F61-Y65 AromaticContact CE2-CD2 3.4Å; F61-Y65 HydrophobicContact CE2-CD2 3.4Å; F61-Y65 AromaticContact CE2-CE2 3.97Å; F61-Y65 HydrophobicContact CE2-CE2 3.97Å; F61-Y65 AromaticContact CE2-CG 3.99Å; F61-Y65 HydrophobicContact CE2-CG 3.99Å; F61-Y65 HydrophobicContact CG-CD2 4.15Å; F61-Y65 HydrophobicContact CZ-CD2 4.16Å; F61-Y65 HydrophobicContact CZ-CG 4.35Å; F61-Y65 WeakPolarHBondContact O-CB 3.35Å; F61-Y65 PolarHBondContact O-N 3.49Å; F61-I89 HydrophobicContact CB-CG1 4.34Å; F61-I89 HydrophobicContact CD2-CB 4.43Å; F61-I89 HydrophobicContact CD2-CG1 4.15Å; F61-I89 HydrophobicContact CD2-CG2 3.78Å; F61-I89 HydrophobicContact CE2-CG2 4.17Å; F61-W92 HydrophobicContact CB-CE3 3.82Å; F61-W92 HydrophobicContact CB-CZ3 3.62Å; F61-W92 AromaticContact CD1-CE3 3.96Å; F61-W92 HydrophobicContact CD1-CE3 3.96Å; F61-W92 HydrophobicContact CD1-CZ3 4.4Å; F61-W92 AromaticContact CD2-CE3 3.75Å; F61-W92 HydrophobicContact CD2-CE3 3.75Å; F61-W92 HydrophobicContact CD2-CZ3 4.42Å; F61-W92 HydrophobicContact CE1-CE3 4.48Å; F61-W92 HydrophobicContact CE2-CB 4.09Å; F61-W92 HydrophobicContact CE2-CE3 4.29Å; F61-W92 AromaticContact CG-CE3 3.56Å; F61-W92 HydrophobicContact CG-CE3 3.56Å; F61-W92 AromaticContact CG-CZ3 3.91Å; F61-W92 HydrophobicContact CG-CZ3 3.91Å; F61-W92 HydrophobicContact CZ-CB 4.08Å
62D97.8Very high97.4Very high32 Ų3261.1 Ų61.117%0.17128%0.277CS..Iπ-helixtrans-67.7-38.1-178.1-75.5-14.4000111.1R58 Y59 F64 K66 R67R58-D62 IonicContact NE-OD1 2.8Å; R58-D62 PolarHBondContact NE-OD1 3.41Å; R58-D62 IonicContact NE-OD2 3.15Å; R58-D62 WeakPolarHBondContact O-CB 3.5Å; R58-D62 PolarHBondContact O-N 3.12Å; Y59-D62 PolarHBondContact O-N 2.88Å; D62-F64 VanDerWaalsContact C-N 3.34Å; D62-F64 PolarHBondContact O-N 2.93Å; D62-K66 HydrophobicContact CB-CD 4.38Å; D62-K66 WeakPolarHBondContact O-CA 3.39Å; D62-K66 WeakPolarHBondContact O-CB 3.41Å; D62-K66 PolarHBondContact O-N 2.94Å; D62-K66 VanDerWaalsContact O-N 3.08Å; D62-K66 VanDerWaalsContact OD1-CD 3.24Å; D62-K66 WeakPolarHBondContact OD1-CD 3.09Å; D62-K66 WeakPolarHBondContact OD1-CE 3.27Å; D62-K66 IonicContact OD1-NZ 2.73Å; D62-K66 PolarHBondContact OD1-NZ 3.36Å; D62-K66 IonicContact OD2-NZ 3.7Å; D62-R67 PolarHBondContact O-N 2.79Å
63L98.1Very high97.4Very high11 Ų1165.8 Ų65.86%0.05830%0.299CS..Iπ-helixtrans-59.2-43.9174.4-75.9175.6000112.2I18 Y59 I60 K68 A69 I70I18-L63 HydrophobicContact CB-CD1 4.43Å; I18-L63 HydrophobicContact CG2-CD1 3.64Å; Y59-L63 HydrophobicContact CD1-CD1 3.96Å; Y59-L63 HydrophobicContact CD2-CD1 4.32Å; Y59-L63 HydrophobicContact CD2-CG 4.43Å; Y59-L63 HydrophobicContact CE1-CD1 3.49Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.49Å; Y59-L63 HydrophobicContact CE2-CD1 3.9Å; Y59-L63 HydrophobicContact CE2-CD2 4.4Å; Y59-L63 HydrophobicContact CE2-CG 4.17Å; Y59-L63 HydrophobicContact CG-CD1 4.36Å; Y59-L63 VanDerWaalsContact CZ-CD1 3.46Å; Y59-L63 WeakPolarHBondContact O-CB 3.17Å; Y59-L63 VanDerWaalsContact O-CG 3.32Å; Y59-L63 WeakPolarHBondContact O-CG 3.36Å; Y59-L63 PolarHBondContact O-N 2.94Å; I60-L63 PolarHBondContact O-N 3.14Å; L63-K68 CarbonylContact O-C 3.55Å; L63-K68 WeakPolarHBondContact O-CA 3.45Å; L63-K68 PolarHBondContact O-N 3.08Å; L63-A69 HydrophobicContact CD2-CB 4.01Å; L63-A69 PolarHBondContact O-N 2.93Å; L63-I70 HydrophobicContact CB-CD1 3.95Å; L63-I70 HydrophobicContact CB-CG1 4.02Å; L63-I70 HydrophobicContact CB-CG2 4.28Å; L63-I70 HydrophobicContact CD1-CG2 4.22Å
64F98.1Very high97.4Very high42 Ų4263.9 Ų63.918%0.18429%0.29CS..Iπ-helixtrans-82.2-51.2-176.8-175.8-114.9000113.2I60 F61 D62 I70 R72 Y75I60-F64 PolarHBondContact O-N 3.41Å; I60-F64 VanDerWaalsContact O-N 3.14Å; F61-F64 PolarHBondContact O-N 3.26Å; D62-F64 VanDerWaalsContact C-N 3.34Å; D62-F64 PolarHBondContact O-N 2.93Å; F64-I70 HydrophobicContact CB-CD1 4.12Å; F64-I70 HydrophobicContact CB-CG1 3.95Å; F64-I70 HydrophobicContact CD2-CG1 4.24Å; F64-R72 HydrophobicContact CE2-CB 3.89Å; F64-R72 HydrophobicContact CZ-CB 4.05Å; F64-R72 HydrophobicContact CZ-CG 4.33Å; F64-Y75 HydrophobicContact CB-CD2 3.47Å; F64-Y75 VanDerWaalsContact CB-CD2 3.47Å; F64-Y75 HydrophobicContact CB-CE2 4.05Å; F64-Y75 HydrophobicContact CB-CG 3.97Å; F64-Y75 AromaticContact CD1-CD1 3.82Å; F64-Y75 HydrophobicContact CD1-CD1 3.82Å; F64-Y75 AromaticContact CD1-CD2 3.69Å; F64-Y75 HydrophobicContact CD1-CD2 3.69Å; F64-Y75 AromaticContact CD1-CE1 3.97Å; F64-Y75 HydrophobicContact CD1-CE1 3.97Å; F64-Y75 AromaticContact CD1-CE2 3.84Å; F64-Y75 HydrophobicContact CD1-CE2 3.84Å; F64-Y75 AromaticContact CD1-CG 3.66Å; F64-Y75 HydrophobicContact CD1-CG 3.66Å; F64-Y75 AromaticContact CD1-CZ 3.97Å; F64-Y75 HydrophobicContact CD2-CD1 4.5Å; F64-Y75 HydrophobicContact CD2-CD2 4.33Å; F64-Y75 AromaticContact CD2-CG 3.93Å; F64-Y75 HydrophobicContact CD2-CG 3.93Å; F64-Y75 AromaticContact CE1-CD1 3.84Å; F64-Y75 HydrophobicContact CE1-CD1 3.84Å; F64-Y75 HydrophobicContact CE1-CE1 4.01Å; F64-Y75 HydrophobicContact CE1-CG 4.1Å; F64-Y75 HydrophobicContact CE2-CG 4.35Å; F64-Y75 HydrophobicContact CG-CD1 4.17Å; F64-Y75 AromaticContact CG-CD2 3.57Å; F64-Y75 HydrophobicContact CG-CD2 3.57Å; F64-Y75 HydrophobicContact CG-CE2 4.15Å; F64-Y75 AromaticContact CG-CG 3.57Å; F64-Y75 HydrophobicContact CG-CG 3.57Å; F64-Y75 HydrophobicContact CZ-CD1 4.21Å; F64-Y75 HydrophobicContact CZ-CG 4.43Å
65Y96.9Very high97.4Very high90 Ų9062.1 Ų62.135%0.35328%0.281SS..Iπ-helixtrans-86-33.5-171.6-76-72000114.2F61 Y75 I89 K93F61-Y65 AromaticContact CD2-CD2 3.39Å; F61-Y65 HydrophobicContact CD2-CD2 3.39Å; F61-Y65 AromaticContact CD2-CE2 3.93Å; F61-Y65 HydrophobicContact CD2-CE2 3.93Å; F61-Y65 HydrophobicContact CD2-CG 4.32Å; F61-Y65 AromaticContact CE2-CD2 3.4Å; F61-Y65 HydrophobicContact CE2-CD2 3.4Å; F61-Y65 AromaticContact CE2-CE2 3.97Å; F61-Y65 HydrophobicContact CE2-CE2 3.97Å; F61-Y65 AromaticContact CE2-CG 3.99Å; F61-Y65 HydrophobicContact CE2-CG 3.99Å; F61-Y65 HydrophobicContact CG-CD2 4.15Å; F61-Y65 HydrophobicContact CZ-CD2 4.16Å; F61-Y65 HydrophobicContact CZ-CG 4.35Å; F61-Y65 WeakPolarHBondContact O-CB 3.35Å; F61-Y65 PolarHBondContact O-N 3.49Å; Y65-Y75 HydrophobicContact CE2-CE2 4.13Å; Y65-Y75 AromaticContact CE2-CZ 3.84Å; Y65-I89 HydrophobicContact CE2-CG2 4.28Å; Y65-K93 WeakPolarHBondContact OH-CE 3.43Å; Y65-K93 PolarHBondContact OH-NZ 2.96Å
66K95.2Very high97.4Very high118 Ų11862.9 Ų62.951%0.51329%0.285SS..Iπ-helixtrans-98.3-56.7-176.3-61.1-173.8-176.6154.20111.8D62D62-K66 HydrophobicContact CB-CD 4.38Å; D62-K66 WeakPolarHBondContact O-CA 3.39Å; D62-K66 WeakPolarHBondContact O-CB 3.41Å; D62-K66 PolarHBondContact O-N 2.94Å; D62-K66 VanDerWaalsContact O-N 3.08Å; D62-K66 VanDerWaalsContact OD1-CD 3.24Å; D62-K66 WeakPolarHBondContact OD1-CD 3.09Å; D62-K66 WeakPolarHBondContact OD1-CE 3.27Å; D62-K66 IonicContact OD1-NZ 2.73Å; D62-K66 PolarHBondContact OD1-NZ 3.36Å; D62-K66 IonicContact OD2-NZ 3.7Å
67R96.8Very high97.3Very high175 Ų17563.6 Ų63.666%0.6629%0.287SS*.SBendtrans-81.6-22-174.9-58.7-178-174.5-174.61.8112.6D62 A69D62-R67 PolarHBondContact O-N 2.79Å; R67-A69 HydrophobicContact CB-CB 4.06Å; R67-A69 PolarHBondContact O-N 3.44Å
68K95.8Very high97.2Very high175 Ų17563.6 Ų63.676%0.76129%0.287SS*.  trans50.737.1-173.8-55.8-178.9-178.2177.30112.2L63L63-K68 CarbonylContact O-C 3.55Å; L63-K68 WeakPolarHBondContact O-CA 3.45Å; L63-K68 PolarHBondContact O-N 3.08Å
69A96.8Very high97.1Very high64 Ų6463.4 Ų63.453%0.52929%0.289SS..  trans-91.2-12.6-172.900000113.3L63 R67L63-A69 HydrophobicContact CD2-CB 4.01Å; L63-A69 PolarHBondContact O-N 2.93Å; R67-A69 HydrophobicContact CB-CB 4.06Å; R67-A69 PolarHBondContact O-N 3.44Å
70I97.4Very high96.9Very high19 Ų1968.9 Ų68.910%0.09731%0.314CS..SBendtrans-124149.1177.162.3175.3000110.6I18 I60 L63 F64 L74I18-I70 HydrophobicContact CG2-CG2 3.9Å; I60-I70 HydrophobicContact CG2-CD1 4.49Å; L63-I70 HydrophobicContact CB-CD1 3.95Å; L63-I70 HydrophobicContact CB-CG1 4.02Å; L63-I70 HydrophobicContact CB-CG2 4.28Å; L63-I70 HydrophobicContact CD1-CG2 4.22Å; F64-I70 HydrophobicContact CB-CD1 4.12Å; F64-I70 HydrophobicContact CB-CG1 3.95Å; F64-I70 HydrophobicContact CD2-CG1 4.24Å; I70-L74 HydrophobicContact CB-CB 4.44Å; I70-L74 HydrophobicContact CB-CD2 3.9Å; I70-L74 HydrophobicContact CB-CG 4.37Å; I70-L74 HydrophobicContact CG2-CD2 3.78Å
71S97.6Very high96.7Very high53 Ų5369.6 Ų69.637%0.37132%0.317SS..  trans-68.4160.7176.675.20000111.5E73 L74 Y75S71-E73 VanDerWaalsContact C-N 3.27Å; S71-E73 PolarHBondContact O-N 3.5Å; S71-L74 PolarHBondContact O-N 3.22Å; S71-L74 WeakPolarHBondContact OG-CB 3.44Å; S71-L74 PolarHBondContact OG-N 2.88Å; S71-L74 VanDerWaalsContact OG-N 3.07Å; S71-Y75 WeakPolarHBondContact O-CB 3.38Å; S71-Y75 PolarHBondContact O-N 3.11Å
72R97.5Very high96.4Very high174 Ų17470.5 Ų70.566%0.65733%0.331SS*.Hα-helixtrans-62.1-37.4173174.1170.614.4-173.1-6111.8F64 Y75 E76F64-R72 HydrophobicContact CE2-CB 3.89Å; F64-R72 HydrophobicContact CZ-CB 4.05Å; F64-R72 HydrophobicContact CZ-CG 4.33Å; R72-Y75 PolarHBondContact O-N 3.44Å; R72-E76 HydrophobicContact CG-CG 4.36Å; R72-E76 WeakPolarHBondContact CG-OE1 3.32Å; R72-E76 WeakPolarHBondContact O-CB 3.33Å; R72-E76 WeakPolarHBondContact O-CG 3.4Å; R72-E76 PolarHBondContact O-N 2.94Å
73E97.1Very high96.3Very high116 Ų11669.4 Ų69.454%0.54233%0.325SS..Hα-helixtrans-62-46.5176.6-174.7177.2-165.900111.1P12 S71 Y75 E76 Y77P12-E73 HydrophobicContact CB-CG 3.98Å; P12-E73 HydrophobicContact CG-CG 3.95Å; S71-E73 VanDerWaalsContact C-N 3.27Å; S71-E73 PolarHBondContact O-N 3.5Å; E73-Y75 PolarHBondContact O-N 2.92Å; E73-E76 PolarHBondContact O-N 3.39Å; E73-Y77 WeakPolarHBondContact O-CB 3.48Å; E73-Y77 PolarHBondContact O-N 3.25Å
74L97.1Very high96.3Very high1 Ų169.2 Ų69.21%0.00533%0.325CS..Hα-helixtrans-63.7-41.3177.1-174.657000112P12 W15 I18 I70 S71 Y77 C78P12-L74 HydrophobicContact CB-CB 4.43Å; P12-L74 HydrophobicContact CB-CD1 4.26Å; P12-L74 HydrophobicContact CG-CD1 4.33Å; W15-L74 HydrophobicContact CB-CD1 4.04Å; W15-L74 HydrophobicContact CE3-CD1 3.87Å; I18-L74 HydrophobicContact CD1-CD1 4.28Å; I18-L74 HydrophobicContact CD1-CD2 3.93Å; I18-L74 HydrophobicContact CD1-CG 4.07Å; I18-L74 HydrophobicContact CG1-CD2 4.46Å; I70-L74 HydrophobicContact CB-CB 4.44Å; I70-L74 HydrophobicContact CB-CD2 3.9Å; I70-L74 HydrophobicContact CB-CG 4.37Å; I70-L74 HydrophobicContact CG2-CD2 3.78Å; S71-L74 PolarHBondContact O-N 3.22Å; S71-L74 WeakPolarHBondContact OG-CB 3.44Å; S71-L74 PolarHBondContact OG-N 2.88Å; S71-L74 VanDerWaalsContact OG-N 3.07Å; L74-Y77 HydrophobicContact CD1-CD1 4.42Å; L74-Y77 WeakPolarHBondContact O-CB 3.45Å; L74-Y77 PolarHBondContact O-N 3.17Å; L74-C78 PolarHBondContact O-N 2.92Å; L74-C78 PolarHBondContact O-SG 2.99Å
75Y97.5Very high96.2Very high15 Ų1568.9 Ų68.96%0.05933%0.325CS..Hα-helixtrans-62.3-45.4175.7169.3-97.4000112.6I60 F64 Y65 S71 R72 E73 C78 I79 I89I60-Y75 HydrophobicContact CG2-CD2 3.74Å; I60-Y75 HydrophobicContact CG2-CE2 4.07Å; F64-Y75 HydrophobicContact CB-CD2 3.47Å; F64-Y75 VanDerWaalsContact CB-CD2 3.47Å; F64-Y75 HydrophobicContact CB-CE2 4.05Å; F64-Y75 HydrophobicContact CB-CG 3.97Å; F64-Y75 AromaticContact CD1-CD1 3.82Å; F64-Y75 HydrophobicContact CD1-CD1 3.82Å; F64-Y75 AromaticContact CD1-CD2 3.69Å; F64-Y75 HydrophobicContact CD1-CD2 3.69Å; F64-Y75 AromaticContact CD1-CE1 3.97Å; F64-Y75 HydrophobicContact CD1-CE1 3.97Å; F64-Y75 AromaticContact CD1-CE2 3.84Å; F64-Y75 HydrophobicContact CD1-CE2 3.84Å; F64-Y75 AromaticContact CD1-CG 3.66Å; F64-Y75 HydrophobicContact CD1-CG 3.66Å; F64-Y75 AromaticContact CD1-CZ 3.97Å; F64-Y75 HydrophobicContact CD2-CD1 4.5Å; F64-Y75 HydrophobicContact CD2-CD2 4.33Å; F64-Y75 AromaticContact CD2-CG 3.93Å; F64-Y75 HydrophobicContact CD2-CG 3.93Å; F64-Y75 AromaticContact CE1-CD1 3.84Å; F64-Y75 HydrophobicContact CE1-CD1 3.84Å; F64-Y75 HydrophobicContact CE1-CE1 4.01Å; F64-Y75 HydrophobicContact CE1-CG 4.1Å; F64-Y75 HydrophobicContact CE2-CG 4.35Å; F64-Y75 HydrophobicContact CG-CD1 4.17Å; F64-Y75 AromaticContact CG-CD2 3.57Å; F64-Y75 HydrophobicContact CG-CD2 3.57Å; F64-Y75 HydrophobicContact CG-CE2 4.15Å; F64-Y75 AromaticContact CG-CG 3.57Å; F64-Y75 HydrophobicContact CG-CG 3.57Å; F64-Y75 HydrophobicContact CZ-CD1 4.21Å; F64-Y75 HydrophobicContact CZ-CG 4.43Å; Y65-Y75 HydrophobicContact CE2-CE2 4.13Å; Y65-Y75 AromaticContact CE2-CZ 3.84Å; S71-Y75 WeakPolarHBondContact O-CB 3.38Å; S71-Y75 PolarHBondContact O-N 3.11Å; R72-Y75 PolarHBondContact O-N 3.44Å; E73-Y75 PolarHBondContact O-N 2.92Å; Y75-C78 WeakPolarHBondContact O-CB 3.39Å; Y75-C78 PolarHBondContact O-N 3.43Å; Y75-I79 HydrophobicContact CD1-CD1 4.13Å; Y75-I79 HydrophobicContact CE1-CD1 3.43Å; Y75-I79 VanDerWaalsContact CE1-CD1 3.43Å; Y75-I79 HydrophobicContact CE2-CD1 4Å; Y75-I79 PolarHBondContact O-N 3.01Å; Y75-I79 VanDerWaalsContact O-N 3.13Å; Y75-I79 WeakPolarHBondContact OH-CD1 3.45Å; Y75-I89 HydrophobicContact CE2-CD1 4.3Å; Y75-I89 WeakPolarHBondContact OH-CG2 3.4Å
76E96.6Very high96.2Very high113 Ų11371.5 Ų71.553%0.52834%0.338SS..Hα-helixtrans-66.6-38.1177.4-74176.8-171.700111.9R72 E73 I79 K80R72-E76 HydrophobicContact CG-CG 4.36Å; R72-E76 WeakPolarHBondContact CG-OE1 3.32Å; R72-E76 WeakPolarHBondContact O-CB 3.33Å; R72-E76 WeakPolarHBondContact O-CG 3.4Å; R72-E76 PolarHBondContact O-N 2.94Å; E73-E76 PolarHBondContact O-N 3.39Å; E76-I79 PolarHBondContact O-N 2.92Å; E76-K80 WeakPolarHBondContact O-CB 3.39Å; E76-K80 PolarHBondContact O-N 3Å
77Y95.8Very high96.3Very high28 Ų2870.9 Ų70.911%0.1134%0.34CS..Hα-helixtrans-58-48.4170.7175.8-96.2000111.3P11 P12 W15 E73 L74 I79 K80 E81P11-Y77 HydrophobicContact CB-CE1 4.05Å; P12-Y77 VanDerWaalsContact CD-CG 3.48Å; P12-Y77 HydrophobicContact CG-CD1 4.46Å; P12-Y77 HydrophobicContact CG-CD2 4.21Å; P12-Y77 HydrophobicContact CG-CG 3.9Å; W15-Y77 HydrophobicContact CD2-CE1 4.33Å; W15-Y77 HydrophobicContact CE3-CD1 4.15Å; W15-Y77 AromaticContact CE3-CE1 3.87Å; W15-Y77 HydrophobicContact CE3-CE1 3.87Å; W15-Y77 HydrophobicContact CH2-CE1 4.36Å; W15-Y77 HydrophobicContact CZ3-CD1 4.21Å; W15-Y77 AromaticContact CZ3-CE1 3.89Å; W15-Y77 HydrophobicContact CZ3-CE1 3.89Å; E73-Y77 WeakPolarHBondContact O-CB 3.48Å; E73-Y77 PolarHBondContact O-N 3.25Å; L74-Y77 HydrophobicContact CD1-CD1 4.42Å; L74-Y77 WeakPolarHBondContact O-CB 3.45Å; L74-Y77 PolarHBondContact O-N 3.17Å; Y77-I79 VanDerWaalsContact C-N 3.29Å; Y77-I79 PolarHBondContact O-N 2.81Å; Y77-K80 PolarHBondContact O-N 2.99Å; Y77-K80 VanDerWaalsContact O-N 3.11Å; Y77-E81 HydrophobicContact CD1-CG 4.27Å; Y77-E81 HydrophobicContact CD2-CG 3.96Å; Y77-E81 HydrophobicContact CE1-CG 3.92Å; Y77-E81 HydrophobicContact CE2-CG 3.57Å; Y77-E81 HydrophobicContact CG-CG 4.29Å; Y77-E81 WeakPolarHBondContact O-CG 3.42Å; Y77-E81 PolarHBondContact O-N 3.31Å
78C96.1Very high96.3Very high0 Ų062.6 Ų62.60%031%0.309CS..Hα-helixtrans-57.8-40.3178.1-70.10000112.5I60 L74 Y75 G82 Y83 A84I60-C78 HydrophobicContact CD1-CB 4.25Å; I60-C78 HydrophobicContact CG1-CB 4.4Å; I60-C78 HydrophobicContact CG2-CB 4.04Å; L74-C78 PolarHBondContact O-N 2.92Å; L74-C78 PolarHBondContact O-SG 2.99Å; Y75-C78 WeakPolarHBondContact O-CB 3.39Å; Y75-C78 PolarHBondContact O-N 3.43Å; C78-G82 PolarHBondContact O-N 2.87Å; C78-Y83 WeakPolarHBondContact O-CA 3.18Å; C78-Y83 WeakPolarHBondContact O-CB 3.21Å; C78-Y83 PolarHBondContact O-N 2.8Å; C78-A84 PolarHBondContact O-N 3.43Å
79I96Very high96.4Very high38 Ų3854.4 Ų54.420%0.19527%0.274CS..Hα-helixtrans-67.6-45.9175.8-69.9169.5000111.1Y75 E76 Y77 E81 G82 A84 K86 I89Y75-I79 HydrophobicContact CD1-CD1 4.13Å; Y75-I79 HydrophobicContact CE1-CD1 3.43Å; Y75-I79 VanDerWaalsContact CE1-CD1 3.43Å; Y75-I79 HydrophobicContact CE2-CD1 4Å; Y75-I79 PolarHBondContact O-N 3.01Å; Y75-I79 VanDerWaalsContact O-N 3.13Å; Y75-I79 WeakPolarHBondContact OH-CD1 3.45Å; E76-I79 PolarHBondContact O-N 2.92Å; Y77-I79 VanDerWaalsContact C-N 3.29Å; Y77-I79 PolarHBondContact O-N 2.81Å; I79-E81 VanDerWaalsContact C-N 3.35Å; I79-E81 PolarHBondContact O-N 3.25Å; I79-G82 PolarHBondContact O-N 3.27Å; I79-A84 HydrophobicContact CG1-CB 4.16Å; I79-K86 HydrophobicContact CG2-CB 3.88Å; I79-K86 HydrophobicContact CG2-CD 4.41Å; I79-K86 HydrophobicContact CG2-CG 4.34Å; I79-I89 HydrophobicContact CD1-CD1 4.49Å
80K94.7Very high96.4Very high165 Ų16553.6 Ų53.672%0.71727%0.267SS*.Hα-helixtrans-63.1-41.9-177-177.2180175.4-178.60112.1E76 Y77 G82E76-K80 WeakPolarHBondContact O-CB 3.39Å; E76-K80 PolarHBondContact O-N 3Å; Y77-K80 PolarHBondContact O-N 2.99Å; Y77-K80 VanDerWaalsContact O-N 3.11Å; K80-G82 PolarHBondContact O-N 2.97Å
81E93.3Very high96.4Very high15 Ų1556 Ų567%0.0728%0.276CS..THydrogen-bonded Turntrans-80.43.9176-59.6-59.412100112.5V4 S7 Y77 I79 Y83V4-E81 HydrophobicContact CG1-CB 4.47Å; V4-E81 WeakPolarHBondContact CG1-O 3Å; S7-E81 VanDerWaalsContact CB-CD 3.47Å; S7-E81 WeakPolarHBondContact CB-OE1 3.33Å; S7-E81 VanDerWaalsContact CB-OE2 3.3Å; S7-E81 WeakPolarHBondContact CB-OE2 3.38Å; S7-E81 PolarHBondContact N-OE2 2.94Å; Y77-E81 HydrophobicContact CD1-CG 4.27Å; Y77-E81 HydrophobicContact CD2-CG 3.96Å; Y77-E81 HydrophobicContact CE1-CG 3.92Å; Y77-E81 HydrophobicContact CE2-CG 3.57Å; Y77-E81 HydrophobicContact CG-CG 4.29Å; Y77-E81 WeakPolarHBondContact O-CG 3.42Å; Y77-E81 PolarHBondContact O-N 3.31Å; I79-E81 VanDerWaalsContact C-N 3.35Å; I79-E81 PolarHBondContact O-N 3.25Å; E81-Y83 HydrophobicContact CB-CD2 3.61Å; E81-Y83 HydrophobicContact CB-CE2 3.49Å; E81-Y83 VanDerWaalsContact CB-CE2 3.49Å; E81-Y83 HydrophobicContact CG-CE2 4.36Å; E81-Y83 PolarHBondContact O-N 3.37Å
82G93Very high96.3Very high36 Ų3653.8 Ų53.837%0.37126%0.26SS..THydrogen-bonded Turntrans73.920.8173.700000115.2C78 I79 K80 A84C78-G82 PolarHBondContact O-N 2.87Å; I79-G82 PolarHBondContact O-N 3.27Å; K80-G82 PolarHBondContact O-N 2.97Å; G82-A84 VanDerWaalsContact C-N 3.26Å
83Y95.6Very high96.1Very high9 Ų951.2 Ų51.24%0.03525%0.254CS..SBendtrans-74.7-17.8168.5-64.2-84.1000112.6W15 L22 K56 C78 E81W15-Y83 HydrophobicContact CH2-CD1 4.21Å; W15-Y83 AromaticContact CH2-CD2 3.95Å; W15-Y83 HydrophobicContact CH2-CD2 3.95Å; W15-Y83 AromaticContact CH2-CE1 3.86Å; W15-Y83 HydrophobicContact CH2-CE1 3.86Å; W15-Y83 AromaticContact CH2-CE2 3.5Å; W15-Y83 HydrophobicContact CH2-CE2 3.5Å; W15-Y83 VanDerWaalsContact CH2-CE2 3.5Å; W15-Y83 HydrophobicContact CH2-CG 4.3Å; W15-Y83 AromaticContact CH2-CZ 3.48Å; W15-Y83 VanDerWaalsContact CH2-CZ 3.48Å; W15-Y83 HydrophobicContact CZ2-CE2 4.31Å; W15-Y83 HydrophobicContact CZ3-CD2 4.27Å; W15-Y83 HydrophobicContact CZ3-CE2 4.16Å; L22-Y83 HydrophobicContact CB-CD1 4.14Å; L22-Y83 HydrophobicContact CB-CE1 4.41Å; L22-Y83 HydrophobicContact CD1-CD1 3.85Å; L22-Y83 HydrophobicContact CD1-CE1 4.45Å; L22-Y83 HydrophobicContact CD1-CG 4.13Å; L22-Y83 HydrophobicContact CD2-CD1 4.38Å; L22-Y83 HydrophobicContact CG-CD1 4.36Å; K56-Y83 WeakPolarHBondContact CD-O 3.43Å; K56-Y83 VanDerWaalsContact CE-CD1 3.43Å; K56-Y83 WeakPolarHBondContact CG-O 3.36Å; K56-Y83 VanDerWaalsContact NZ-CD1 3.26Å; C78-Y83 WeakPolarHBondContact O-CA 3.18Å; C78-Y83 WeakPolarHBondContact O-CB 3.21Å; C78-Y83 PolarHBondContact O-N 2.8Å; E81-Y83 HydrophobicContact CB-CD2 3.61Å; E81-Y83 HydrophobicContact CB-CE2 3.49Å; E81-Y83 VanDerWaalsContact CB-CE2 3.49Å; E81-Y83 HydrophobicContact CG-CE2 4.36Å; E81-Y83 PolarHBondContact O-N 3.37Å
84A96.6Very high96Very high7 Ų751.4 Ų51.46%0.05825%0.253CS..SBendtrans-139.6141.2178.400000112.7T57 I60 C78 I79 G82 K86 I89T57-A84 HydrophobicContact CG2-CB 4.33Å; I60-A84 HydrophobicContact CB-CB 3.95Å; I60-A84 HydrophobicContact CG1-CB 4.18Å; I60-A84 HydrophobicContact CG2-CB 3.87Å; C78-A84 PolarHBondContact O-N 3.43Å; I79-A84 HydrophobicContact CG1-CB 4.16Å; G82-A84 VanDerWaalsContact C-N 3.26Å; A84-K86 PolarHBondContact O-N 3.41Å; A84-I89 HydrophobicContact CB-CD1 3.94Å
85D97.2Very high95.9Very high36 Ų3660 Ų6019%0.19329%0.293CS..  trans-80.9105.6177.2-170.9-32.7000112.1H53 T57 N87 L88 I89H53-D85 IonicContact CE1-OD2 2.85Å; H53-D85 WeakPolarHBondContact NE2-CB 3.36Å; H53-D85 IonicContact NE2-OD2 3.38Å; H53-D85 PolarHBondContact NE2-OD2 2.88Å; T57-D85 HydrophobicContact CG2-CB 3.94Å; T57-D85 PolarHBondContact OG1-N 3.34Å; T57-D85 VanDerWaalsContact OG1-N 3.12Å; D85-N87 VanDerWaalsContact C-N 3.25Å; D85-N87 PolarHBondContact O-N 3.35Å; D85-N87 WeakPolarHBondContact OD1-CA 3.42Å; D85-N87 WeakPolarHBondContact OD1-CB 3.28Å; D85-N87 PolarHBondContact OD1-N 3.49Å; D85-L88 HydrophobicContact CB-CB 3.82Å; D85-L88 PolarHBondContact O-N 3.02Å; D85-L88 PolarHBondContact OD1-N 3.37Å; D85-I89 WeakPolarHBondContact O-CG1 3.22Å; D85-I89 PolarHBondContact O-N 2.79Å
86K97Very high95.6Very high145 Ų14560.7 Ų60.763%0.6331%0.305SS*.Hα-helixtrans-53.7-41176.9-174.7179.4179.1179.20112.8I79 A84 A90I79-K86 HydrophobicContact CG2-CB 3.88Å; I79-K86 HydrophobicContact CG2-CD 4.41Å; I79-K86 HydrophobicContact CG2-CG 4.34Å; A84-K86 PolarHBondContact O-N 3.41Å; K86-A90 WeakPolarHBondContact O-CB 3.38Å; K86-A90 PolarHBondContact O-N 3.19Å
87N97Very high95.5Very high105 Ų10558.8 Ų58.856%0.56129%0.293SS*.Hα-helixtrans-74.6-39.6-174.7-70-39.8000110.9D85 A90 K91 L103D85-N87 VanDerWaalsContact C-N 3.25Å; D85-N87 PolarHBondContact O-N 3.35Å; D85-N87 WeakPolarHBondContact OD1-CA 3.42Å; D85-N87 WeakPolarHBondContact OD1-CB 3.28Å; D85-N87 PolarHBondContact OD1-N 3.49Å; N87-A90 PolarHBondContact O-N 2.98Å; N87-K91 PolarHBondContact O-N 3.1Å; N87-L103 HydrophobicContact CB-CD1 3.52Å
88L97.2Very high95.5Very high1 Ų161 Ų611%0.00530%0.304CS..Hα-helixtrans-63.7-45.7174.4-173.158.1000111T57 D85 A90 K91 W92 L100 L103T57-L88 HydrophobicContact CG2-CB 4.44Å; T57-L88 HydrophobicContact CG2-CD2 4.25Å; D85-L88 HydrophobicContact CB-CB 3.82Å; D85-L88 PolarHBondContact O-N 3.02Å; D85-L88 PolarHBondContact OD1-N 3.37Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.04Å; L88-K91 WeakPolarHBondContact O-CB 3.31Å; L88-K91 PolarHBondContact O-N 2.7Å; L88-W92 HydrophobicContact CD1-CZ2 4.27Å; L88-W92 HydrophobicContact CD2-CH2 3.9Å; L88-W92 HydrophobicContact CD2-CZ2 3.58Å; L88-W92 HydrophobicContact CG-CD2 4.42Å; L88-W92 HydrophobicContact CG-CH2 4.11Å; L88-W92 HydrophobicContact CG-CZ2 3.63Å; L88-W92 PolarHBondContact O-N 3.47Å; L88-W92 VanDerWaalsContact O-N 3.1Å; L88-L100 HydrophobicContact CD1-CD2 3.94Å; L88-L100 HydrophobicContact CD1-CG 4.09Å; L88-L103 HydrophobicContact CB-CG 4.48Å; L88-L103 HydrophobicContact CD1-CD2 4.33Å; L88-L103 HydrophobicContact CD1-CG 4.36Å
89I97.7Very high95.4Very high2 Ų264.2 Ų64.21%0.0132%0.322CS..Hα-helixtrans-58.9-42.8175.3-70.7166.5000111.6T57 F61 Y65 Y75 I79 A84 D85 K91 W92 K93T57-I89 HydrophobicContact CG2-CD1 3.9Å; T57-I89 HydrophobicContact CG2-CG1 3.67Å; F61-I89 HydrophobicContact CB-CG1 4.34Å; F61-I89 HydrophobicContact CD2-CB 4.43Å; F61-I89 HydrophobicContact CD2-CG1 4.15Å; F61-I89 HydrophobicContact CD2-CG2 3.78Å; F61-I89 HydrophobicContact CE2-CG2 4.17Å; Y65-I89 HydrophobicContact CE2-CG2 4.28Å; Y75-I89 HydrophobicContact CE2-CD1 4.3Å; Y75-I89 WeakPolarHBondContact OH-CG2 3.4Å; I79-I89 HydrophobicContact CD1-CD1 4.49Å; A84-I89 HydrophobicContact CB-CD1 3.94Å; D85-I89 WeakPolarHBondContact O-CG1 3.22Å; D85-I89 PolarHBondContact O-N 2.79Å; I89-K91 PolarHBondContact O-N 2.94Å; I89-W92 HydrophobicContact CG1-CE3 4.03Å; I89-W92 HydrophobicContact CG1-CZ3 4.07Å; I89-W92 PolarHBondContact O-N 3.12Å; I89-W92 VanDerWaalsContact O-N 3.12Å; I89-K93 PolarHBondContact O-N 3.32Å
90A97.1Very high95.4Very high47 Ų4762.4 Ų62.439%0.38831%0.312SS..Hα-helixtrans-59.6-29.4177.100000112.6K86 N87 L88K86-A90 WeakPolarHBondContact O-CB 3.38Å; K86-A90 PolarHBondContact O-N 3.19Å; N87-A90 PolarHBondContact O-N 2.98Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.04Å
91K96Very high95.4Very high69 Ų6955.2 Ų55.230%0.328%0.283SS..Hα-helixtrans-75.4-41.9173.1-62.2-58.3-177.71770112.1N87 L88 I89 K93 K94 Y97 L100 L103 I106N87-K91 PolarHBondContact O-N 3.1Å; L88-K91 WeakPolarHBondContact O-CB 3.31Å; L88-K91 PolarHBondContact O-N 2.7Å; I89-K91 PolarHBondContact O-N 2.94Å; K91-K93 PolarHBondContact O-N 3.13Å; K91-K93 VanDerWaalsContact O-N 3.08Å; K91-K94 WeakPolarHBondContact O-CB 3.41Å; K91-K94 PolarHBondContact O-N 3.09Å; K91-Y97 WeakPolarHBondContact O-CB 3.46Å; K91-L100 HydrophobicContact CB-CD2 3.75Å; K91-L100 HydrophobicContact CG-CD2 4.04Å; K91-L103 HydrophobicContact CG-CD2 3.71Å; K91-I106 HydrophobicContact CD-CD1 3.98Å; K91-I106 HydrophobicContact CG-CD1 4.03Å
92W96.6Very high95.5Very high8 Ų854.7 Ų54.73%0.0328%0.281CS..Hα-helixtrans-59.5-22178.9-67.7-20.9000114.6H54 T57 R58 F61 L88 I89 K94 L100H54-W92 AromaticContact CD2-CZ2 3.68Å; H54-W92 AromaticContact NE2-CZ2 3.81Å; T57-W92 HydrophobicContact CG2-CH2 3.75Å; T57-W92 HydrophobicContact CG2-CZ3 3.68Å; R58-W92 HydrophobicContact CB-CH2 3.7Å; R58-W92 HydrophobicContact CB-CZ2 4.46Å; R58-W92 HydrophobicContact CB-CZ3 4.19Å; R58-W92 HydrophobicContact CG-CH2 4.36Å; F61-W92 HydrophobicContact CB-CE3 3.82Å; F61-W92 HydrophobicContact CB-CZ3 3.62Å; F61-W92 AromaticContact CD1-CE3 3.96Å; F61-W92 HydrophobicContact CD1-CE3 3.96Å; F61-W92 HydrophobicContact CD1-CZ3 4.4Å; F61-W92 AromaticContact CD2-CE3 3.75Å; F61-W92 HydrophobicContact CD2-CE3 3.75Å; F61-W92 HydrophobicContact CD2-CZ3 4.42Å; F61-W92 HydrophobicContact CE1-CE3 4.48Å; F61-W92 HydrophobicContact CE2-CB 4.09Å; F61-W92 HydrophobicContact CE2-CE3 4.29Å; F61-W92 AromaticContact CG-CE3 3.56Å; F61-W92 HydrophobicContact CG-CE3 3.56Å; F61-W92 AromaticContact CG-CZ3 3.91Å; F61-W92 HydrophobicContact CG-CZ3 3.91Å; F61-W92 HydrophobicContact CZ-CB 4.08Å; L88-W92 HydrophobicContact CD1-CZ2 4.27Å; L88-W92 HydrophobicContact CD2-CH2 3.9Å; L88-W92 HydrophobicContact CD2-CZ2 3.58Å; L88-W92 HydrophobicContact CG-CD2 4.42Å; L88-W92 HydrophobicContact CG-CH2 4.11Å; L88-W92 HydrophobicContact CG-CZ2 3.63Å; L88-W92 PolarHBondContact O-N 3.47Å; L88-W92 VanDerWaalsContact O-N 3.1Å; I89-W92 HydrophobicContact CG1-CE3 4.03Å; I89-W92 HydrophobicContact CG1-CZ3 4.07Å; I89-W92 PolarHBondContact O-N 3.12Å; I89-W92 VanDerWaalsContact O-N 3.12Å; W92-K94 VanDerWaalsContact C-N 3.28Å; W92-L100 PolarHBondContact NE1-O 3.41Å
93K93.9Very high95.6Very high120 Ų12054.4 Ų54.452%0.52227%0.271SS..THydrogen-bonded Turntrans-77.2-10.2173.7-64.7175.9-178.6179.10114.1Y65 I89 K91Y65-K93 WeakPolarHBondContact OH-CE 3.43Å; Y65-K93 PolarHBondContact OH-NZ 2.96Å; I89-K93 PolarHBondContact O-N 3.32Å; K91-K93 PolarHBondContact O-N 3.13Å; K91-K93 VanDerWaalsContact O-N 3.08Å
94K94.8Very high95.5Very high120 Ų12058.6 Ų58.652%0.52229%0.286SS..SBendtrans-97.3139.9-179.5-62-171.5175.7-160.40110.1K91 W92 G96 Y97K91-K94 WeakPolarHBondContact O-CB 3.41Å; K91-K94 PolarHBondContact O-N 3.09Å; W92-K94 VanDerWaalsContact C-N 3.28Å; K94-G96 PolarHBondContact O-N 3.21Å; K94-Y97 HydrophobicContact CB-CD2 4.07Å; K94-Y97 PolarHBondContact O-N 2.8Å; K94-Y97 VanDerWaalsContact O-N 3.12Å
95Q93.4Very high95.4Very high182 Ų18258.2 Ų58.285%0.8528%0.283SS*.THydrogen-bonded Turntrans-56.7133.4178.3-169.4178.21600111.5Y97 E98Q95-Y97 VanDerWaalsContact C-N 3.29Å; Q95-Y97 WeakPolarHBondContact O-CD2 3.47Å; Q95-Y97 PolarHBondContact O-N 2.93Å; Q95-E98 VanDerWaalsContact CA-OE1 3.27Å; Q95-E98 WeakPolarHBondContact CA-OE1 3.28Å
96G92.2Very high95.2Very high29 Ų2957.8 Ų57.830%0.29928%0.281SS..THydrogen-bonded Turntrans83.1-4-18000000114.5K94 E98 R120K94-G96 PolarHBondContact O-N 3.21Å; G96-E98 WeakPolarHBondContact CA-OE2 3.48Å; G96-E98 VanDerWaalsContact N-CD 3.27Å; G96-E98 PolarHBondContact N-OE1 3.44Å; G96-E98 PolarHBondContact N-OE2 2.93Å; G96-R120 VanDerWaalsContact O-CZ 3.28Å; G96-R120 PolarHBondContact O-NH1 2.93Å; G96-R120 PolarHBondContact O-NH2 3.23Å
97Y94.9Very high94.9Very high72 Ų7253.9 Ų53.928%0.28227%0.265SS..  trans-111.55.2178.8-67.4-91.6000113.1K91 K94 Q95 N99 L100 I106K91-Y97 WeakPolarHBondContact O-CB 3.46Å; K94-Y97 HydrophobicContact CB-CD2 4.07Å; K94-Y97 PolarHBondContact O-N 2.8Å; K94-Y97 VanDerWaalsContact O-N 3.12Å; Q95-Y97 VanDerWaalsContact C-N 3.29Å; Q95-Y97 WeakPolarHBondContact O-CD2 3.47Å; Q95-Y97 PolarHBondContact O-N 2.93Å; Y97-N99 PolarHBondContact O-N 2.67Å; Y97-L100 HydrophobicContact CD1-CD2 4.28Å; Y97-L100 WeakPolarHBondContact O-CB 3.23Å; Y97-L100 PolarHBondContact O-N 3.15Å; Y97-I106 HydrophobicContact CD1-CD1 4.33Å; Y97-I106 HydrophobicContact CD1-CG2 4.28Å; Y97-I106 HydrophobicContact CE1-CB 4.46Å; Y97-I106 HydrophobicContact CE1-CD1 4.09Å; Y97-I106 HydrophobicContact CE1-CG2 3.83Å
98E94.7Very high94.5Very high74 Ų7452.9 Ų52.935%0.34626%0.262SS..THydrogen-bonded Turntrans-56.3-29.3-173.9-56.883.2175.500113.2R58 Q95 G96R58-E98 PolarHBondContact NH1-O 3.38Å; R58-E98 PolarHBondContact NH2-O 3.5Å; Q95-E98 VanDerWaalsContact CA-OE1 3.27Å; Q95-E98 WeakPolarHBondContact CA-OE1 3.28Å; G96-E98 WeakPolarHBondContact CA-OE2 3.48Å; G96-E98 VanDerWaalsContact N-CD 3.27Å; G96-E98 PolarHBondContact N-OE1 3.44Å; G96-E98 PolarHBondContact N-OE2 2.93Å
99N94.6Very high94.1Very high69 Ų6962.3 Ų62.337%0.36930%0.298SS..THydrogen-bonded Turntrans-104.97.7-178-63.4-31000113.6Y97 C101 C142 S143 G144Y97-N99 PolarHBondContact O-N 2.67Å; N99-C101 PolarHBondContact O-N 3.11Å; N99-C142 WeakPolarHBondContact O-CB 3.22Å; N99-S143 PolarHBondContact ND2-O 3.24Å; N99-G144 PolarHBondContact ND2-OXT 3.4Å
100L96.2Very high93.5Very high0 Ų064.4 Ų64.40%031%0.309CS..  trans-57121-176-179.866.6000111.4L88 K91 W92 Y97 C102 L103 C105 I106L88-L100 HydrophobicContact CD1-CD2 3.94Å; L88-L100 HydrophobicContact CD1-CG 4.09Å; K91-L100 HydrophobicContact CB-CD2 3.75Å; K91-L100 HydrophobicContact CG-CD2 4.04Å; W92-L100 PolarHBondContact NE1-O 3.41Å; Y97-L100 HydrophobicContact CD1-CD2 4.28Å; Y97-L100 WeakPolarHBondContact O-CB 3.23Å; Y97-L100 PolarHBondContact O-N 3.15Å; L100-C102 WeakPolarHBondContact CD1-O 3.22Å; L100-L103 HydrophobicContact CD2-CD2 4.37Å; L100-C105 HydrophobicContact CD1-CB 4.06Å; L100-I106 HydrophobicContact CD1-CG1 4.49Å; L100-I106 HydrophobicContact CD1-CG2 3.6Å; L100-I106 HydrophobicContact CD2-CD1 3.72Å; L100-I106 HydrophobicContact CD2-CG1 4.15Å; L100-I106 HydrophobicContact CD2-CG2 4.46Å
101C95.5Very high92.8Very high14 Ų1463.2 Ų63.210%0.09530%0.297CS..  trans-78-36.6-176.657.50000113.7H54 N99 C105 C137 C139 C142H54-C101 WeakPolarHBondContact CB-O 3.42Å; H54-C101 PolarHBondContact CD2-O 3.41Å; H54-C101 VanDerWaalsContact CD2-O 3.29Å; N99-C101 PolarHBondContact O-N 3.11Å; C101-C105 PolarHBondContact SG-SG 2.84Å; C101-C137 PolarHBondContact SG-SG 2.96Å; C101-C139 HydrophobicContact CB-CB 4.09Å; C101-C139 PolarHBondContact SG-SG 2.92Å; C101-C142 HydrophobicContact CB-CB 3.89Å; C101-C142 PolarHBondContact SG-SG 3.12Å
102C95.3Very high92Very high4 Ų467.4 Ų67.43%0.02732%0.323CS..  trans-159.9159.6177.4680000110.4F50 L100 R104 C105F50-C102 HydrophobicContact CD1-CB 3.9Å; F50-C102 HydrophobicContact CE1-CB 4.35Å; L100-C102 WeakPolarHBondContact CD1-O 3.22Å; C102-R104 VanDerWaalsContact C-N 3.28Å; C102-R104 PolarHBondContact O-N 3.38Å; C102-C105 PolarHBondContact O-N 2.79Å; C102-C105 PolarHBondContact SG-SG 3.03Å
103L94.2Very high91.4Very high30 Ų3075.5 Ų75.516%0.15736%0.359CS..G310 helixtrans-66.6-29.7-178.4-66171.2000113N87 L88 K91 L100 C105 I106 Q107N87-L103 HydrophobicContact CB-CD1 3.52Å; L88-L103 HydrophobicContact CB-CG 4.48Å; L88-L103 HydrophobicContact CD1-CD2 4.33Å; L88-L103 HydrophobicContact CD1-CG 4.36Å; K91-L103 HydrophobicContact CG-CD2 3.71Å; L100-L103 HydrophobicContact CD2-CD2 4.37Å; L103-C105 PolarHBondContact O-N 3.16Å; L103-C105 VanDerWaalsContact O-N 3.15Å; L103-I106 HydrophobicContact CD2-CD1 4.42Å; L103-I106 WeakPolarHBondContact O-CG1 3.49Å; L103-I106 PolarHBondContact O-N 3.41Å; L103-I106 VanDerWaalsContact O-N 3.09Å; L103-Q107 VanDerWaalsContact O-CG 3.31Å; L103-Q107 WeakPolarHBondContact O-CG 3.31Å; L103-Q107 PolarHBondContact O-N 3.42Å
104R93.8Very high91Very high96 Ų9671.8 Ų71.836%0.36235%0.354SS..G310 helixtrans-58.3-28.7176.9-71-169.6174.8179.8-1.3112.7F50 C102 I106 Q107 H136F50-R104 HydrophobicContact CE1-CG 4.45Å; F50-R104 HydrophobicContact CZ-CG 4.45Å; C102-R104 VanDerWaalsContact C-N 3.28Å; C102-R104 PolarHBondContact O-N 3.38Å; R104-I106 PolarHBondContact O-N 2.98Å; R104-I106 VanDerWaalsContact O-N 3.13Å; R104-Q107 PolarHBondContact O-N 3.34Å; R104-H136 HydrophobicContact CB-CB 4.25Å
105C93.7Very high90.7Very high0 Ų069.9 Ų69.90%035%0.352CS..G310 helixtrans-66.7-13.7179.4-67.10000115L100 C101 C102 L103 C117 C119 R120L100-C105 HydrophobicContact CD1-CB 4.06Å; C101-C105 PolarHBondContact SG-SG 2.84Å; C102-C105 PolarHBondContact O-N 2.79Å; C102-C105 PolarHBondContact SG-SG 3.03Å; L103-C105 PolarHBondContact O-N 3.16Å; L103-C105 VanDerWaalsContact O-N 3.15Å; C105-C117 HydrophobicContact CB-CB 4Å; C105-C117 PolarHBondContact O-N 2.69Å; C105-C119 PolarHBondContact SG-SG 3.15Å; C105-R120 HydrophobicContact CB-CG 4.15Å
106I92.9Very high90.5Very high27 Ų2765 Ų6514%0.13833%0.333CS..G310 helixtrans-127.43.1-177.261.6161.4000112.4K91 Y97 L100 L103 R104 R120K91-I106 HydrophobicContact CD-CD1 3.98Å; K91-I106 HydrophobicContact CG-CD1 4.03Å; Y97-I106 HydrophobicContact CD1-CD1 4.33Å; Y97-I106 HydrophobicContact CD1-CG2 4.28Å; Y97-I106 HydrophobicContact CE1-CB 4.46Å; Y97-I106 HydrophobicContact CE1-CD1 4.09Å; Y97-I106 HydrophobicContact CE1-CG2 3.83Å; L100-I106 HydrophobicContact CD1-CG1 4.49Å; L100-I106 HydrophobicContact CD1-CG2 3.6Å; L100-I106 HydrophobicContact CD2-CD1 3.72Å; L100-I106 HydrophobicContact CD2-CG1 4.15Å; L100-I106 HydrophobicContact CD2-CG2 4.46Å; L103-I106 HydrophobicContact CD2-CD1 4.42Å; L103-I106 WeakPolarHBondContact O-CG1 3.49Å; L103-I106 PolarHBondContact O-N 3.41Å; L103-I106 VanDerWaalsContact O-N 3.09Å; R104-I106 PolarHBondContact O-N 2.98Å; R104-I106 VanDerWaalsContact O-N 3.13Å; I106-R120 HydrophobicContact CG2-CG 4.26Å
107Q91.4Very high90.5Very high62 Ų6264 Ų6429%0.2932%0.321SS..  trans-93.1106.6177.5-77.4173.6-37.800108.3L103 R104 R109 D110L103-Q107 VanDerWaalsContact O-CG 3.31Å; L103-Q107 WeakPolarHBondContact O-CG 3.31Å; L103-Q107 PolarHBondContact O-N 3.42Å; R104-Q107 PolarHBondContact O-N 3.34Å; Q107-R109 HydrophobicContact CB-CG 4.42Å; Q107-R109 PolarHBondContact O-N 3.45Å; Q107-D110 HydrophobicContact CB-CB 4.25Å; Q107-D110 WeakPolarHBondContact CB-OD2 3.16Å; Q107-D110 PolarHBondContact O-N 3.38Å; Q107-D110 PolarHBondContact OE1-OD2 3.28Å; Q107-D110 VanDerWaalsContact OE1-OD2 3.12Å
108T88.7Confident90.3Very high84 Ų8463.3 Ų63.352%0.51532%0.321SS..G310 helixtrans-54.4-40.1-175.852.60000112.5D110 T111 G114T108-D110 PolarHBondContact O-N 3.15Å; T108-T111 PolarHBondContact O-N 3.25Å; T108-T111 VanDerWaalsContact O-N 3.11Å; T108-T111 PolarHBondContact O-OG1 3.45Å; T108-G114 WeakPolarHBondContact CB-O 3.2Å; T108-G114 VanDerWaalsContact CG2-O 3.26Å; T108-G114 WeakPolarHBondContact CG2-O 3.47Å
109R88.9Confident90.2Very high199 Ų19959.8 Ų59.875%0.75131%0.305SS*.G310 helixtrans-58.4-25.1176.873178.6-175.4-177.70.2114.9Q107Q107-R109 HydrophobicContact CB-CG 4.42Å; Q107-R109 PolarHBondContact O-N 3.45Å
110D85.2Confident90.2Very high47 Ų4758 Ų5825%0.25129%0.293SS..G310 helixtrans-93.9-2.5-175.8-67.6-67.8000111.1Q107 T108 H136Q107-D110 HydrophobicContact CB-CB 4.25Å; Q107-D110 WeakPolarHBondContact CB-OD2 3.16Å; Q107-D110 PolarHBondContact O-N 3.38Å; Q107-D110 PolarHBondContact OE1-OD2 3.28Å; Q107-D110 VanDerWaalsContact OE1-OD2 3.12Å; T108-D110 PolarHBondContact O-N 3.15Å; D110-H136 PolarHBondContact O-CE1 3.19Å; D110-H136 PolarHBondContact O-NE2 3.41Å; D110-H136 VanDerWaalsContact O-NE2 3.14Å
111T82.5Confident89.9Confident21 Ų2160.2 Ų60.213%0.12931%0.306CS..SBendtrans-113144.6-178.270.50000112.2T108 F113 G114 T115T108-T111 PolarHBondContact O-N 3.25Å; T108-T111 VanDerWaalsContact O-N 3.11Å; T108-T111 PolarHBondContact O-OG1 3.45Å; T111-F113 PolarHBondContact O-N 3.09Å; T111-G114 PolarHBondContact O-N 3.16Å; T111-G114 WeakPolarHBondContact OG1-CA 3.37Å; T111-G114 PolarHBondContact OG1-N 3.08Å; T111-T115 WeakPolarHBondContact CG2-O 3.37Å; T111-T115 PolarHBondContact OG1-N 3.06Å; T111-T115 PolarHBondContact OG1-O 3.2Å
112N78Confident89.7Confident157 Ų15761.9 Ų61.984%0.8432%0.317SS*.THydrogen-bonded Turntrans-61.9-28.7-176.3-64.5-15.6000114.1
113F84.1Confident89.3Confident179 Ų17969.4 Ų69.479%0.78535%0.349SS*.THydrogen-bonded Turntrans-1076.1-175.8-59.6-72.9000113.1T111 T115T111-F113 PolarHBondContact O-N 3.09Å; F113-T115 HydrophobicContact CB-CG2 4.39Å; F113-T115 WeakPolarHBondContact O-CG2 3.36Å; F113-T115 PolarHBondContact O-N 2.84Å
114G86.5Confident89.1Confident41 Ų4173.3 Ų73.342%0.42338%0.379SS..SBendtrans65.626.2-176.400000113.8T108 T111T108-G114 WeakPolarHBondContact CB-O 3.2Å; T108-G114 VanDerWaalsContact CG2-O 3.26Å; T108-G114 WeakPolarHBondContact CG2-O 3.47Å; T111-G114 PolarHBondContact O-N 3.16Å; T111-G114 WeakPolarHBondContact OG1-CA 3.37Å; T111-G114 PolarHBondContact OG1-N 3.08Å
115T89Confident88.9Confident80 Ų8076.6 Ų76.649%0.49140%0.396SS..SBendtrans-123.4-168.9-177670000111.6T111 F113T111-T115 WeakPolarHBondContact CG2-O 3.37Å; T111-T115 PolarHBondContact OG1-N 3.06Å; T111-T115 PolarHBondContact OG1-O 3.2Å; F113-T115 HydrophobicContact CB-CG2 4.39Å; F113-T115 WeakPolarHBondContact O-CG2 3.36Å; F113-T115 PolarHBondContact O-N 2.84Å
116N88.4Confident88.6Confident81 Ų8177.8 Ų77.843%0.43340%0.402SS..  trans-78.3155.3172.2-66.9-35.6000110.7R120N116-R120 HydrophobicContact CB-CB 4.04Å
117C91.9Very high88.5Confident8 Ų883.4 Ų83.45%0.05443%0.428CS..  trans-64155.4175.3-79.90000113.4C105 C119 R120 H136C105-C117 HydrophobicContact CB-CB 4Å; C105-C117 PolarHBondContact O-N 2.69Å; C117-C119 WeakPolarHBondContact CB-SG 3.49Å; C117-C119 PolarHBondContact O-N 2.92Å; C117-C119 VanDerWaalsContact O-N 3.08Å; C117-R120 WeakPolarHBondContact O-CB 3.47Å; C117-R120 PolarHBondContact O-N 3.44Å; C117-H136 PolarHBondContact SG-CD2 2.95Å
118I90.5Very high88.2Confident56 Ų5688 Ų8829%0.28746%0.46SS..G310 helixtrans-53.6-32.9175.9-17158.8000113R120 V121 L126 I132I118-R120 PolarHBondContact O-N 3.46Å; I118-V121 HydrophobicContact CD1-CB 4.43Å; I118-V121 HydrophobicContact CD1-CG2 4.05Å; I118-V121 WeakPolarHBondContact O-CB 3.39Å; I118-V121 PolarHBondContact O-N 3.04Å; I118-L126 HydrophobicContact CD1-CD2 3.89Å; I118-I132 HydrophobicContact CG2-CG2 4.45Å
119C92.9Very high88.1Confident0 Ų087.5 Ų87.50%047%0.471CS..G310 helixtrans-67.6-14.3176.959.30000114.4C105 C117 I132 C134 C139 C142 S143C105-C119 PolarHBondContact SG-SG 3.15Å; C117-C119 WeakPolarHBondContact CB-SG 3.49Å; C117-C119 PolarHBondContact O-N 2.92Å; C117-C119 VanDerWaalsContact O-N 3.08Å; C119-I132 HydrophobicContact CB-CG2 3.93Å; C119-C134 HydrophobicContact CB-CB 3.93Å; C119-C134 VanDerWaalsContact SG-SG 3.64Å; C119-C139 WeakPolarHBondContact CB-SG 3.26Å; C119-C142 CarbonylContact O-C 3.53Å; C119-C142 PolarHBondContact O-N 3.11Å; C119-C142 PolarHBondContact SG-SG 3.12Å; C119-S143 PolarHBondContact O-N 3.35Å
120R93.6Very high88Confident33 Ų3384 Ų8413%0.12546%0.458CS..G310 helixtrans-90.5-3.3173.5-68.9-67.2-63.71583.7113G96 C105 I106 N116 C117 I118 C142G96-R120 VanDerWaalsContact O-CZ 3.28Å; G96-R120 PolarHBondContact O-NH1 2.93Å; G96-R120 PolarHBondContact O-NH2 3.23Å; C105-R120 HydrophobicContact CB-CG 4.15Å; I106-R120 HydrophobicContact CG2-CG 4.26Å; N116-R120 HydrophobicContact CB-CB 4.04Å; C117-R120 WeakPolarHBondContact O-CB 3.47Å; C117-R120 PolarHBondContact O-N 3.44Å; I118-R120 PolarHBondContact O-N 3.46Å; R120-C142 WeakPolarHBondContact CD-SG 3.45Å; R120-C142 PolarHBondContact NH1-O 3.17Å
121V91.3Very high88.1Confident45 Ų4588.4 Ų88.427%0.27348%0.48SS..SBendtrans-79124174.6-1770000108.9I118 K125 L126I118-V121 HydrophobicContact CD1-CB 4.43Å; I118-V121 HydrophobicContact CD1-CG2 4.05Å; I118-V121 WeakPolarHBondContact O-CB 3.39Å; I118-V121 PolarHBondContact O-N 3.04Å; V121-K125 HydrophobicContact CG1-CB 3.95Å; V121-L126 HydrophobicContact CB-CD2 4.08Å; V121-L126 HydrophobicContact CB-CG 4.43Å; V121-L126 HydrophobicContact CG1-CD2 3.68Å; V121-L126 HydrophobicContact CG1-CG 3.94Å
122P90.1Very high88.4Confident50 Ų5088 Ų8833%0.32548%0.477SS..  trans-57.2142.4176.3-25.234.6000112S124 K125P122-S124 PolarHBondContact O-N 2.99Å; P122-S124 VanDerWaalsContact O-N 3.13Å; P122-K125 PolarHBondContact O-N 3.26Å
123K87.6Confident89.1Confident161 Ų16183.8 Ų83.870%0.745%0.452SS*.G310 helixtrans-55-33.6-179.9-69.7-175.7178.6-179.90113.4K125 L126K123-K125 PolarHBondContact O-N 2.81Å; K123-L126 PolarHBondContact O-N 2.84Å; K123-L126 VanDerWaalsContact O-N 3.09Å
124S89.1Confident89.5Confident113 Ų11375.2 Ų75.279%0.7942%0.415SS*.G310 helixtrans-64.7-17.5177.254.90000114.6P122P122-S124 PolarHBondContact O-N 2.99Å; P122-S124 VanDerWaalsContact O-N 3.13Å
125K89.8Confident89.6Confident165 Ų16576.6 Ų76.672%0.71742%0.415SS*.G310 helixtrans-1012.8176.4-63.4-169.9175.9-173.50112.9V121 P122 K123V121-K125 HydrophobicContact CG1-CB 3.95Å; P122-K125 PolarHBondContact O-N 3.26Å; K123-K125 PolarHBondContact O-N 2.81Å
126L88.6Confident89.7Confident25 Ų2574 Ų7413%0.13140%0.397CS..SBendtrans-103.7148.7177.9-63.8173.1000109.5I118 V121 K123 I132I118-L126 HydrophobicContact CD1-CD2 3.89Å; V121-L126 HydrophobicContact CB-CD2 4.08Å; V121-L126 HydrophobicContact CB-CG 4.43Å; V121-L126 HydrophobicContact CG1-CD2 3.68Å; V121-L126 HydrophobicContact CG1-CG 3.94Å; K123-L126 PolarHBondContact O-N 2.84Å; K123-L126 VanDerWaalsContact O-N 3.09Å; L126-I132 HydrophobicContact CD1-CD1 3.24Å; L126-I132 HydrophobicContact CD1-CG1 3.55Å
127E89.2Confident89.9Confident144 Ų14470.3 Ų70.367%0.67338%0.378SS*.PPolyproline II helixtrans-56.3140.5171.2-68.6160.4-163.600110.5G129 R130E127-G129 PolarHBondContact O-N 2.69Å; E127-R130 HydrophobicContact CB-CB 4.31Å; E127-R130 WeakPolarHBondContact O-CB 3.38Å; E127-R130 PolarHBondContact O-N 2.83Å
128V86.7Confident89.9Confident158 Ų15869.9 Ų69.996%0.95838%0.375SS*.THydrogen-bonded Turntrans-59.3130.1178.9-178.40000109.2R130V128-R130 VanDerWaalsContact C-N 3.3Å; V128-R130 PolarHBondContact O-N 3.2Å
129G85.3Confident90.1Very high74 Ų7468.2 Ų68.276%0.76337%0.368SS*.THydrogen-bonded Turntrans83.5-3.9-178.400000115.1E127 I131E127-G129 PolarHBondContact O-N 2.69Å; G129-I131 PolarHBondContact O-N 3.41Å; G129-I131 VanDerWaalsContact O-N 3.16Å
130R87.4Confident90.1Very high127 Ų12774.6 Ų74.648%0.47939%0.392SS..PPolyproline II helixtrans-65.4117.2176.8-173.1169.1-179.9172.62.7111.2E127 V128 I132E127-R130 HydrophobicContact CB-CB 4.31Å; E127-R130 WeakPolarHBondContact O-CB 3.38Å; E127-R130 PolarHBondContact O-N 2.83Å; V128-R130 VanDerWaalsContact C-N 3.3Å; V128-R130 PolarHBondContact O-N 3.2Å; R130-I132 PolarHBondContact O-N 2.93Å
131I86.8Confident90Very high139 Ų13974.7 Ų74.771%0.71340%0.403SS*.PPolyproline II helixtrans-78.5119.8174.9-61.2168.9000108.9G129G129-I131 PolarHBondContact O-N 3.41Å; G129-I131 VanDerWaalsContact O-N 3.16Å
132I90.2Very high90Very high12 Ų1272.6 Ų72.66%0.06239%0.391CS..PPolyproline II helixtrans-82.4132.6174.7-58.1173.2000108.8I118 C119 L126 R130 R140I118-I132 HydrophobicContact CG2-CG2 4.45Å; C119-I132 HydrophobicContact CB-CG2 3.93Å; L126-I132 HydrophobicContact CD1-CD1 3.24Å; L126-I132 HydrophobicContact CD1-CG1 3.55Å; R130-I132 PolarHBondContact O-N 2.93Å; I132-R140 WeakPolarHBondContact O-CD 3.5Å; I132-R140 PolarHBondContact O-NH1 3.03Å; I132-R140 VanDerWaalsContact O-NH1 3.16Å
133E91.1Very high89.9Confident68 Ų6871.4 Ų71.432%0.31838%0.383SS..  trans-140.4113.2166.1-164.1165.172.400109W47 T135 R140W47-E133 HydrophobicContact CH2-CG 3.6Å; W47-E133 VanDerWaalsContact CH2-OE1 3.23Å; W47-E133 WeakPolarHBondContact CH2-OE1 3.3Å; W47-E133 HydrophobicContact CZ2-CG 4.22Å; W47-E133 HydrophobicContact CZ3-CG 4.02Å; E133-T135 PolarHBondContact O-N 3.12Å; E133-R140 IonicContact OE2-CZ 2.61Å; E133-R140 IonicContact OE2-NH1 3.68Å; E133-R140 PolarHBondContact OE2-NH1 3.26Å; E133-R140 IonicContact OE2-NH2 3.71Å; E133-R140 PolarHBondContact OE2-NH2 2.92Å
134C92.2Very high89Confident0 Ų067.7 Ų67.70%039%0.391CS..  trans-66.8127.9176.5-177.40000110.2C119 H136 C137 G138 C139C119-C134 HydrophobicContact CB-CB 3.93Å; C119-C134 VanDerWaalsContact SG-SG 3.64Å; C134-H136 PolarHBondContact O-N 3.14Å; C134-H136 PolarHBondContact SG-N 3.28Å; C134-H136 VanDerWaalsContact SG-N 3.41Å; C134-C137 VanDerWaalsContact SG-SG 3.63Å; C134-G138 VanDerWaalsContact O-CA 3.22Å; C134-G138 WeakPolarHBondContact O-CA 3.48Å; C134-G138 PolarHBondContact O-N 3.2Å; C134-C139 PolarHBondContact N-O 3.28Å
135T89.2Confident89Confident70 Ų7065.5 Ų65.543%0.42937%0.371SS..THydrogen-bonded Turntrans-59.1-29.5175.7510000113.2V43 W47 E133V43-T135 WeakPolarHBondContact CB-O 3.2Å; V43-T135 WeakPolarHBondContact CG2-O 3.2Å; W47-T135 PolarHBondContact NE1-O 2.92Å; E133-T135 PolarHBondContact O-N 3.12Å
136H90.9Very high88.9Confident25 Ų2560.2 Ų60.212%0.11635%0.353CS..THydrogen-bonded Turntrans-88.6-38.3-176.4-58.2-53.5000115F50 R104 D110 C117 C134F50-H136 WeakPolarHBondContact CD2-O 3.4Å; R104-H136 HydrophobicContact CB-CB 4.25Å; D110-H136 PolarHBondContact O-CE1 3.19Å; D110-H136 PolarHBondContact O-NE2 3.41Å; D110-H136 VanDerWaalsContact O-NE2 3.14Å; C117-H136 PolarHBondContact SG-CD2 2.95Å; C134-H136 PolarHBondContact O-N 3.14Å; C134-H136 PolarHBondContact SG-N 3.28Å; C134-H136 VanDerWaalsContact SG-N 3.41Å
137C93.1Very high88.9Confident3 Ų362.2 Ų62.22%0.0237%0.365CS..THydrogen-bonded Turntrans-129.6-0.7-171.864.30000114W47 F50 C101 C134 C139W47-C137 VanDerWaalsContact CD1-C 3.48Å; F50-C137 HydrophobicContact CB-CB 3.56Å; F50-C137 HydrophobicContact CD2-CB 4.49Å; F50-C137 HydrophobicContact CG-CB 3.96Å; C101-C137 PolarHBondContact SG-SG 2.96Å; C134-C137 VanDerWaalsContact SG-SG 3.63Å; C137-C139 PolarHBondContact O-N 3.13Å; C137-C139 VanDerWaalsContact O-N 3.12Å; C137-C139 VanDerWaalsContact SG-SG 3.64Å
138G93Very high88.9Confident0 Ų057.4 Ų57.40%035%0.347CS..  trans62.618.1-17900000114.2R51 C134R51-G138 PolarHBondContact NH2-O 3.13Å; C134-G138 VanDerWaalsContact O-CA 3.22Å; C134-G138 WeakPolarHBondContact O-CA 3.48Å; C134-G138 PolarHBondContact O-N 3.2Å
139C94.5Very high89.1Confident20 Ų2051.1 Ų51.114%0.13531%0.309CS..  trans-71.3153.9176.981.90000110.9C101 C119 C134 C137 G141C101-C139 HydrophobicContact CB-CB 4.09Å; C101-C139 PolarHBondContact SG-SG 2.92Å; C119-C139 WeakPolarHBondContact CB-SG 3.26Å; C134-C139 PolarHBondContact N-O 3.28Å; C137-C139 PolarHBondContact O-N 3.13Å; C137-C139 VanDerWaalsContact O-N 3.12Å; C137-C139 VanDerWaalsContact SG-SG 3.64Å; C139-G141 VanDerWaalsContact C-N 3.31Å
140R91.5Very high89.3Confident135 Ų13549.5 Ų49.551%0.50928%0.279SS..SBendtrans-92.715.2-178.4-61.4-61.3-173-161.8-9.4113.9I132 E133I132-R140 WeakPolarHBondContact O-CD 3.5Å; I132-R140 PolarHBondContact O-NH1 3.03Å; I132-R140 VanDerWaalsContact O-NH1 3.16Å; E133-R140 IonicContact OE2-CZ 2.61Å; E133-R140 IonicContact OE2-NH1 3.68Å; E133-R140 PolarHBondContact OE2-NH1 3.26Å; E133-R140 IonicContact OE2-NH2 3.71Å; E133-R140 PolarHBondContact OE2-NH2 2.92Å
141G91.9Very high89.5Confident34 Ų3444 Ų4435%0.35126%0.264SS..  trans132.6132.3-173.300000111C139C139-G141 VanDerWaalsContact C-N 3.31Å
142C92.6Very high89.7Confident2 Ų236.7 Ų36.71%0.01423%0.23CC..  trans-138.51717665.90000111N99 C101 C119 R120N99-C142 WeakPolarHBondContact O-CB 3.22Å; C101-C142 HydrophobicContact CB-CB 3.89Å; C101-C142 PolarHBondContact SG-SG 3.12Å; C119-C142 CarbonylContact O-C 3.53Å; C119-C142 PolarHBondContact O-N 3.11Å; C119-C142 PolarHBondContact SG-SG 3.12Å; R120-C142 WeakPolarHBondContact CD-SG 3.45Å; R120-C142 PolarHBondContact NH1-O 3.17Å
143S87.3Confident89.6Confident24 Ų2438.8 Ų38.817%0.16824%0.244CC..  trans-61.3145.9166.166.80000109.1N99 C119N99-S143 PolarHBondContact ND2-O 3.24Å; C119-S143 PolarHBondContact O-N 3.35Å
144G68.1Low89.5Confident84 Ų8436.1 Ų36.187%0.86624%0.237SC*.  trans-55.10166.200000110.8N99N99-G144 PolarHBondContact ND2-OXT 3.4Å

Retrieved 144 of 144 residues in 446.6 ms (Link to these results)

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