A0A5K4FBA1_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 979 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
1M35.4Very low43.6Very low211 Ų211109.9 Ų109.9100%1.03960%0.601SS**  0-780-65179.587.400114.7L3 A4 T5M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 2.97Å; M1-A4 WeakPolarHBondContact O-CB 3.37Å; M1-A4 PolarHBondContact O-N 3.42Å; M1-T5 PolarHBondContact O-N 3.43Å; M1-T5 PolarHBondContact O-OG1 3.3Å
2K35.3Very low43.6Very low188 Ų188103.9 Ų103.982%0.81757%0.567SS**Hα-helixtrans-44-39.2-164.2-72.1179.8179.2172.80116.7T5 L6K2-T5 WeakPolarHBondContact O-CB 3.43Å; K2-T5 PolarHBondContact O-N 3.34Å; K2-L6 PolarHBondContact O-N 3.17Å
3L41.9Very low43.6Very low78 Ų78108.2 Ų108.241%0.40858%0.581SS.*Hα-helixtrans-64.9-39.8178.1-168.268.3000113.1M1 L6 V7 F96 I100M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 2.97Å; L3-L6 VanDerWaalsContact O-CB 3.29Å; L3-L6 WeakPolarHBondContact O-CB 3.38Å; L3-L6 PolarHBondContact O-N 2.82Å; L3-V7 PolarHBondContact O-N 3.27Å; L3-F96 HydrophobicContact CD2-CZ 4.44Å; L3-I100 HydrophobicContact CD1-CG2 4.35Å; L3-I100 HydrophobicContact CD2-CD1 4.18Å
4A47Very low43.9Very low45 Ų45109.5 Ų109.537%0.37258%0.581SS.*Hα-helixtrans-66.2-38.2176.100000111.4M1 L6 V7 A8M1-A4 WeakPolarHBondContact O-CB 3.37Å; M1-A4 PolarHBondContact O-N 3.42Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.09Å; A4-V7 PolarHBondContact O-N 2.94Å; A4-A8 WeakPolarHBondContact O-CB 3.36Å; A4-A8 PolarHBondContact O-N 3.25Å
5T49.4Very low44.6Very low98 Ų98105.9 Ų105.960%0.60156%0.562SS**Hα-helixtrans-61.2-38.4172.2-28.70000111.4M1 K2 G9M1-T5 PolarHBondContact O-N 3.43Å; M1-T5 PolarHBondContact O-OG1 3.3Å; K2-T5 WeakPolarHBondContact O-CB 3.43Å; K2-T5 PolarHBondContact O-N 3.34Å; T5-G9 PolarHBondContact O-N 3.39Å
6L48.3Very low45.1Very low110 Ų110109.3 Ų109.358%0.57657%0.571SS**Hα-helixtrans-66.3-38.1176-121.2164.1000112.7K2 L3 A4K2-L6 PolarHBondContact O-N 3.17Å; L3-L6 VanDerWaalsContact O-CB 3.29Å; L3-L6 WeakPolarHBondContact O-CB 3.38Å; L3-L6 PolarHBondContact O-N 2.82Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.09Å
7V49.2Very low45.9Very low41 Ų41107.4 Ų107.425%0.24856%0.561CS.*Hα-helixtrans-71.2-45174.4173.80000111.2L3 A4 G9 Y10 I19L3-V7 PolarHBondContact O-N 3.27Å; A4-V7 PolarHBondContact O-N 2.94Å; V7-G9 PolarHBondContact O-N 2.96Å; V7-Y10 PolarHBondContact O-N 3.1Å; V7-I19 HydrophobicContact CG1-CG2 4.14Å
8A49.7Very low46.3Very low75 Ų75102.7 Ų102.762%0.6254%0.536SS*.Hα-helixtrans-67.1-33.2-179.700000113.4A4 Y10A4-A8 WeakPolarHBondContact O-CB 3.36Å; A4-A8 PolarHBondContact O-N 3.25Å; A8-Y10 PolarHBondContact O-N 3.17Å
9G41.9Very low47.1Very low66 Ų6698.8 Ų98.868%0.6852%0.516SS*.THydrogen-bonded Turntrans-69.3-13.1179.100000115.1T5 V7T5-G9 PolarHBondContact O-N 3.39Å; V7-G9 PolarHBondContact O-N 2.96Å
10Y43.3Very low47.8Very low102 Ų10297.5 Ų97.540%0.451%0.513SS..SBendtrans-84.5125.6176.4-99.2-88.4000111.7V7 A8 I12 R108V7-Y10 PolarHBondContact O-N 3.1Å; A8-Y10 PolarHBondContact O-N 3.17Å; Y10-I12 PolarHBondContact O-N 3.21Å; Y10-R108 VanDerWaalsContact CE1-NH2 3.29Å; Y10-R108 PolarHBondContact OH-NH2 3.45Å
11K38Very low48.3Very low195 Ų19597.8 Ų97.885%0.84851%0.507SS*.  trans-64.868.8177.4-98.1-176.5172.7177.60113.5Q13K11-Q13 VanDerWaalsContact C-N 3.28Å; K11-Q13 PolarHBondContact O-N 2.72Å; K11-Q13 VanDerWaalsContact O-N 3.08Å
12I44.2Very low49.4Very low38 Ų3888.2 Ų88.220%0.19546%0.461CS..  trans-8869.1179.4-62.3162.8000108.7Y10 H14 N15 I19 C107Y10-I12 PolarHBondContact O-N 3.21Å; I12-H14 PolarHBondContact O-N 2.85Å; I12-N15 HydrophobicContact CG2-CB 3.67Å; I12-I19 HydrophobicContact CB-CD1 3.76Å; I12-I19 HydrophobicContact CD1-CD1 3.74Å; I12-I19 HydrophobicContact CG1-CD1 4.33Å; I12-I19 HydrophobicContact CG2-CD1 3.86Å; I12-C107 HydrophobicContact CD1-CB 4.3Å
13Q43.4Very low50.6Low160 Ų16082 Ų8275%0.74844%0.438SS*.THydrogen-bonded Turntrans-64.111.8-175.4-152.189.99.100115K11K11-Q13 VanDerWaalsContact C-N 3.28Å; K11-Q13 PolarHBondContact O-N 2.72Å; K11-Q13 VanDerWaalsContact O-N 3.08Å
14H48.4Very low51.6Low126 Ų12681.9 Ų81.958%0.58344%0.437SS*.THydrogen-bonded Turntrans-142.3-6.4-169.9-112.9-76.8000115.9I12 K274I12-H14 PolarHBondContact O-N 2.85Å; H14-K274 PolarHBondContact NE2-NZ 3.2Å
15N54.2Low51.9Low55 Ų5581.6 Ų81.629%0.29443%0.429SS..  trans-139.233.6-173.4-95.3-4.2000112.3I12 D17 I18 I19I12-N15 HydrophobicContact CG2-CB 3.67Å; N15-D17 VanDerWaalsContact C-N 3.27Å; N15-D17 PolarHBondContact O-N 3.07Å; N15-I18 PolarHBondContact O-N 3.12Å; N15-I18 VanDerWaalsContact O-N 3.13Å; N15-I19 PolarHBondContact O-N 3.43Å
16K52.8Low52.3Low161 Ų16180.2 Ų80.270%0.742%0.418SS*.Hα-helixtrans-48.9-49.1179.9-78.7-167.5172.8-170.30111.9I18 I19 T20K16-I18 VanDerWaalsContact C-N 3.29Å; K16-I18 PolarHBondContact O-N 3.4Å; K16-I19 CarbonylContact O-C 3.46Å; K16-I19 WeakPolarHBondContact O-CA 3.07Å; K16-I19 WeakPolarHBondContact O-CB 3.34Å; K16-I19 PolarHBondContact O-N 3.31Å; K16-T20 PolarHBondContact O-N 3.25Å; K16-T20 PolarHBondContact O-OG1 3.35Å
17D57.5Low52.9Low76 Ų7680.1 Ų80.141%0.40642%0.417SS..Hα-helixtrans-57.5-40-176.7-31.9-3.6000112.1N15 I19 T20 Y21 K340N15-D17 VanDerWaalsContact C-N 3.27Å; N15-D17 PolarHBondContact O-N 3.07Å; D17-I19 VanDerWaalsContact C-N 3.32Å; D17-I19 PolarHBondContact O-N 3.22Å; D17-T20 WeakPolarHBondContact O-CB 3.36Å; D17-T20 PolarHBondContact O-N 3.1Å; D17-Y21 VanDerWaalsContact O-CD2 3.31Å; D17-Y21 WeakPolarHBondContact O-CD2 3.28Å; D17-Y21 PolarHBondContact O-N 3.07Å; D17-K340 IonicContact OD2-NZ 3.63Å; D17-K340 PolarHBondContact OD2-NZ 3.4Å
18I53.7Low53.2Low23 Ų2383.4 Ų83.412%0.11843%0.433CS..Hα-helixtrans-67.8-36.4178.4-60.9-177.2000110.2N15 K16 Y21 I22 A117 I120N15-I18 PolarHBondContact O-N 3.12Å; N15-I18 VanDerWaalsContact O-N 3.13Å; K16-I18 VanDerWaalsContact C-N 3.29Å; K16-I18 PolarHBondContact O-N 3.4Å; I18-Y21 PolarHBondContact O-N 3.42Å; I18-I22 HydrophobicContact CG2-CD1 4.03Å; I18-I22 WeakPolarHBondContact O-CB 3.29Å; I18-I22 WeakPolarHBondContact O-CD1 3.41Å; I18-I22 WeakPolarHBondContact O-CG1 3.48Å; I18-I22 PolarHBondContact O-N 2.99Å; I18-A117 HydrophobicContact CD1-CB 4.26Å; I18-I120 HydrophobicContact CG2-CG2 4.19Å
19I60.9Low53.1Low29 Ų2981.9 Ų81.915%0.14942%0.417CS..Hα-helixtrans-67.4-38.6173.3-59.7168.9000110.3V7 I12 N15 K16 D17 I22 V23V7-I19 HydrophobicContact CG1-CG2 4.14Å; I12-I19 HydrophobicContact CB-CD1 3.76Å; I12-I19 HydrophobicContact CD1-CD1 3.74Å; I12-I19 HydrophobicContact CG1-CD1 4.33Å; I12-I19 HydrophobicContact CG2-CD1 3.86Å; N15-I19 PolarHBondContact O-N 3.43Å; K16-I19 CarbonylContact O-C 3.46Å; K16-I19 WeakPolarHBondContact O-CA 3.07Å; K16-I19 WeakPolarHBondContact O-CB 3.34Å; K16-I19 PolarHBondContact O-N 3.31Å; D17-I19 VanDerWaalsContact C-N 3.32Å; D17-I19 PolarHBondContact O-N 3.22Å; I19-I22 PolarHBondContact O-N 3.4Å; I19-V23 HydrophobicContact CG2-CG2 4.3Å; I19-V23 WeakPolarHBondContact O-CB 3.48Å; I19-V23 VanDerWaalsContact O-CG2 3.27Å; I19-V23 WeakPolarHBondContact O-CG2 3.47Å; I19-V23 PolarHBondContact O-N 3.29Å
20T62.1Low53.4Low73 Ų7383.1 Ų83.145%0.44841%0.414SS..Hα-helixtrans-61.8-43.7172.6-53.80000111.5K16 D17 V23 I24K16-T20 PolarHBondContact O-N 3.25Å; K16-T20 PolarHBondContact O-OG1 3.35Å; D17-T20 WeakPolarHBondContact O-CB 3.36Å; D17-T20 PolarHBondContact O-N 3.1Å; T20-V23 PolarHBondContact O-N 3.46Å; T20-I24 HydrophobicContact CG2-CD1 3.88Å; T20-I24 HydrophobicContact CG2-CG1 4.46Å; T20-I24 WeakPolarHBondContact O-CB 3.44Å; T20-I24 VanDerWaalsContact O-CG1 3.27Å; T20-I24 WeakPolarHBondContact O-CG1 3.43Å; T20-I24 PolarHBondContact O-N 3.26Å
21Y57.6Low53.6Low103 Ų10386.3 Ų86.340%0.40443%0.432SS..Hα-helixtrans-63.6-42.3173.4-88.4-79.8000112.7D17 I18 V23 I24 I25 A344D17-Y21 VanDerWaalsContact O-CD2 3.31Å; D17-Y21 WeakPolarHBondContact O-CD2 3.28Å; D17-Y21 PolarHBondContact O-N 3.07Å; I18-Y21 PolarHBondContact O-N 3.42Å; Y21-V23 VanDerWaalsContact C-N 3.33Å; Y21-V23 PolarHBondContact O-N 3.03Å; Y21-I24 PolarHBondContact O-N 3.04Å; Y21-I25 WeakPolarHBondContact O-CB 3.25Å; Y21-I25 VanDerWaalsContact O-CG1 3.26Å; Y21-I25 WeakPolarHBondContact O-CG1 3.25Å; Y21-I25 PolarHBondContact O-N 3.2Å; Y21-A344 HydrophobicContact CE1-CB 3.95Å; Y21-A344 WeakPolarHBondContact OH-CB 3.43Å
22I59.2Low53.7Low11 Ų1180.6 Ų80.66%0.05641%0.414CS..Hα-helixtrans-57.7-47.4173.1-72.6162.8000110.5I18 I19 I25 L26 L124I18-I22 HydrophobicContact CG2-CD1 4.03Å; I18-I22 WeakPolarHBondContact O-CB 3.29Å; I18-I22 WeakPolarHBondContact O-CD1 3.41Å; I18-I22 WeakPolarHBondContact O-CG1 3.48Å; I18-I22 PolarHBondContact O-N 2.99Å; I19-I22 PolarHBondContact O-N 3.4Å; I22-I25 PolarHBondContact O-N 3.31Å; I22-L26 HydrophobicContact CG2-CD1 3.71Å; I22-L26 HydrophobicContact CG2-CG 4.37Å; I22-L26 VanDerWaalsContact O-CB 3.31Å; I22-L26 WeakPolarHBondContact O-CB 3.45Å; I22-L26 VanDerWaalsContact O-CG 3.24Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 3.05Å; I22-L124 HydrophobicContact CD1-CD1 3.89Å; I22-L124 HydrophobicContact CD1-CD2 4.3Å; I22-L124 HydrophobicContact CG1-CD1 3.42Å; I22-L124 VanDerWaalsContact CG1-CD1 3.42Å; I22-L124 HydrophobicContact CG1-CD2 3.9Å; I22-L124 HydrophobicContact CG1-CG 4.32Å; I22-L124 HydrophobicContact CG2-CD2 4.31Å
23V60.3Low53.4Low57 Ų5786 Ų8635%0.34544%0.443SS..Hα-helixtrans-68.4-39.8-178.9168.50000111.3I19 T20 Y21 L26 L27I19-V23 HydrophobicContact CG2-CG2 4.3Å; I19-V23 WeakPolarHBondContact O-CB 3.48Å; I19-V23 VanDerWaalsContact O-CG2 3.27Å; I19-V23 WeakPolarHBondContact O-CG2 3.47Å; I19-V23 PolarHBondContact O-N 3.29Å; T20-V23 PolarHBondContact O-N 3.46Å; Y21-V23 VanDerWaalsContact C-N 3.33Å; Y21-V23 PolarHBondContact O-N 3.03Å; V23-L26 PolarHBondContact O-N 3.43Å; V23-L27 HydrophobicContact CG1-CD1 3.65Å; V23-L27 HydrophobicContact CG1-CG 4.13Å; V23-L27 VanDerWaalsContact O-CB 3.26Å; V23-L27 WeakPolarHBondContact O-CB 3.23Å; V23-L27 WeakPolarHBondContact O-CG 3.36Å; V23-L27 PolarHBondContact O-N 3.45Å
24I62.5Low52.8Low75 Ų7584.6 Ų84.639%0.38545%0.446SS..Hα-helixtrans-62.2-48.4174.2-72166000110.6T20 Y21 L26 L27 L28T20-I24 HydrophobicContact CG2-CD1 3.88Å; T20-I24 HydrophobicContact CG2-CG1 4.46Å; T20-I24 WeakPolarHBondContact O-CB 3.44Å; T20-I24 VanDerWaalsContact O-CG1 3.27Å; T20-I24 WeakPolarHBondContact O-CG1 3.43Å; T20-I24 PolarHBondContact O-N 3.26Å; Y21-I24 PolarHBondContact O-N 3.04Å; I24-L26 PolarHBondContact O-N 3.05Å; I24-L27 PolarHBondContact O-N 2.87Å; I24-L28 HydrophobicContact CG2-CD1 3.81Å; I24-L28 HydrophobicContact CG2-CG 4.39Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 VanDerWaalsContact O-CG 3.27Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 3.33Å
25I54.4Low52Low39 Ų3985.9 Ų85.920%0.246%0.457CS..Hα-helixtrans-62.4-44.2178.7-66.8166.4000110.5Y21 I22 L28 C29 I128 T347Y21-I25 WeakPolarHBondContact O-CB 3.25Å; Y21-I25 VanDerWaalsContact O-CG1 3.26Å; Y21-I25 WeakPolarHBondContact O-CG1 3.25Å; Y21-I25 PolarHBondContact O-N 3.2Å; I22-I25 PolarHBondContact O-N 3.31Å; I25-L28 PolarHBondContact O-N 2.89Å; I25-C29 WeakPolarHBondContact O-CB 3.43Å; I25-C29 PolarHBondContact O-N 3.34Å; I25-C29 PolarHBondContact O-SG 3.31Å; I25-I128 HydrophobicContact CG2-CD1 3.4Å; I25-T347 HydrophobicContact CD1-CG2 4.02Å; I25-T347 HydrophobicContact CG1-CG2 4.08Å
26L57.8Low51.1Low70 Ų7090.4 Ų90.437%0.36648%0.481SS..Hα-helixtrans-66.2-36.7176.7-72.7173.6000112.9I22 V23 I24 C29 C30I22-L26 HydrophobicContact CG2-CD1 3.71Å; I22-L26 HydrophobicContact CG2-CG 4.37Å; I22-L26 VanDerWaalsContact O-CB 3.31Å; I22-L26 WeakPolarHBondContact O-CB 3.45Å; I22-L26 VanDerWaalsContact O-CG 3.24Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 3.05Å; V23-L26 PolarHBondContact O-N 3.43Å; I24-L26 PolarHBondContact O-N 3.05Å; L26-C29 CarbonylContact O-C 3.55Å; L26-C29 PolarHBondContact O-N 2.96Å; L26-C30 VanDerWaalsContact O-CB 3.26Å; L26-C30 WeakPolarHBondContact O-CB 3.48Å; L26-C30 PolarHBondContact O-N 3.45Å; L26-C30 PolarHBondContact O-SG 2.89Å
27L59.1Low49.9Very low108 Ų10888.3 Ų88.357%0.56549%0.486SS*.Hα-helixtrans-68.4-43.7175.8-75.6170.5000111.1V23 I24 C29 C30 H31V23-L27 HydrophobicContact CG1-CD1 3.65Å; V23-L27 HydrophobicContact CG1-CG 4.13Å; V23-L27 VanDerWaalsContact O-CB 3.26Å; V23-L27 WeakPolarHBondContact O-CB 3.23Å; V23-L27 WeakPolarHBondContact O-CG 3.36Å; V23-L27 PolarHBondContact O-N 3.45Å; I24-L27 PolarHBondContact O-N 2.87Å; L27-C29 VanDerWaalsContact C-N 3.27Å; L27-C29 PolarHBondContact O-N 2.78Å; L27-C30 CarbonylContact O-C 3.54Å; L27-C30 WeakPolarHBondContact O-CA 3.46Å; L27-C30 PolarHBondContact O-N 3.15Å; L27-H31 PolarHBondContact O-N 3.35Å
28L56.7Low48.8Very low110 Ų11091.8 Ų91.858%0.57650%0.504SS*.Hα-helixtrans-60.7-37.1172.8-69.2169.2000111.7I24 I25 C30I24-L28 HydrophobicContact CG2-CD1 3.81Å; I24-L28 HydrophobicContact CG2-CG 4.39Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 VanDerWaalsContact O-CG 3.27Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 3.33Å; I25-L28 PolarHBondContact O-N 2.89Å; L28-C30 PolarHBondContact O-N 2.89Å
29C47.1Very low47.5Very low42 Ų4298 Ų9828%0.28454%0.537SS..THydrogen-bonded Turntrans-76.1-5.1172.6-62.20000114.3I25 L26 L27I25-C29 WeakPolarHBondContact O-CB 3.43Å; I25-C29 PolarHBondContact O-N 3.34Å; I25-C29 PolarHBondContact O-SG 3.31Å; L26-C29 CarbonylContact O-C 3.55Å; L26-C29 PolarHBondContact O-N 2.96Å; L27-C29 VanDerWaalsContact C-N 3.27Å; L27-C29 PolarHBondContact O-N 2.78Å
30C48.7Very low46.2Very low92 Ų92103.3 Ų103.362%0.62257%0.571SS**THydrogen-bonded Turntrans-118.3-2.4-179.7-73.90000113.7L26 L27 L28 T32L26-C30 VanDerWaalsContact O-CB 3.26Å; L26-C30 WeakPolarHBondContact O-CB 3.48Å; L26-C30 PolarHBondContact O-N 3.45Å; L26-C30 PolarHBondContact O-SG 2.89Å; L27-C30 CarbonylContact O-C 3.54Å; L27-C30 WeakPolarHBondContact O-CA 3.46Å; L27-C30 PolarHBondContact O-N 3.15Å; L28-C30 PolarHBondContact O-N 2.89Å; C30-T32 PolarHBondContact O-N 3.24Å
31H48Very low44.6Very low170 Ų170105.7 Ų105.779%0.78759%0.586SS**  trans-82.633.6-175-149-31.6000113.7L27L27-H31 PolarHBondContact O-N 3.35Å
32T39.3Very low43.5Very low74 Ų74108.7 Ų108.745%0.45461%0.608SS.*SBendtrans-125.6129.7172.255.20000109.1C30C30-T32 PolarHBondContact O-N 3.24Å
33N37.9Very low42.1Very low153 Ų153112.7 Ų112.782%0.81863%0.63SS**  trans68.177.2173.5-55.93000116.3
34T30.2Very low40.8Very low130 Ų130118.2 Ų118.280%0.79866%0.658SS**  trans-135.9108.5140.651.10000108.8
35D32.4Very low39.2Very low153 Ų153122 Ų12282%0.81867%0.674SS**  trans-170164146.2-96.7-26.7000111
36N35.6Very low37.9Very low149 Ų149129 Ų12980%0.79770%0.699SS**  trans6181.1172.5-63.4-14.3000117.8
37S27.7Very low36.5Very low117 Ų117134 Ų13482%0.81872%0.72SS**  trans-72.4127.6148.453.40000110.9
38I33.4Very low34.9Very low150 Ų150136.4 Ų136.477%0.76973%0.729SS**  trans-128.6137.1163.4-63.9-177.6000108.4
39N26.3Very low33.5Very low154 Ų154140.2 Ų140.282%0.82474%0.741SS**  trans-95.2128.2179-62.3-40.3000110.5
40T34.3Very low32.6Very low140 Ų140143.7 Ų143.786%0.85976%0.761SS**  trans-147.7104.815417.90000109.8
41T27.7Very low31.6Very low123 Ų123147.7 Ų147.776%0.75577%0.768SS**  trans-79.1135.516147.40000109.3
42N34.6Very low30.8Very low165 Ų165145 Ų14588%0.88277%0.766SS**  trans-156144.4137.6-100.7-27.3000110.4
43N29.4Very low30.2Very low95 Ų95147.7 Ų147.751%0.50878%0.777SS.*  trans-87.7154-178.8-56.6-25.8000110.1
44N34.6Very low29.9Very low173 Ų173146 Ų14693%0.92578%0.777SS**  -160.8159.5126.1-95-27.9000110.1
45E28.6Very low29.9Very low154 Ų154146 Ų14672%0.7278%0.778SS**  trans-128.9152.2-153.7-137.6-177178.900111.8
46Y26.6Very low29.5Very low188 Ų188145.4 Ų145.474%0.73777%0.774SS**  trans54.3132.9168.3-65.3-72.6000118.4
47Q27.8Very low29.1Very low173 Ų173146.2 Ų146.281%0.80878%0.777SS**  -144.4150.655.7-82-168.7-7.900115
48E25.9Very low29Very low160 Ų160147.6 Ų147.675%0.74877%0.774SS**  trans-92136.6169.5-179.7176.6-165.400110.3
49K28.6Very low28.7Very low189 Ų189145.6 Ų145.682%0.82277%0.773SS**  trans-135.9135.4163.7-81.2-171.3176.6175.50110.5
50T27.8Very low28.8Very low116 Ų116145 Ų14571%0.71277%0.77SS**  trans-98.1152.4-16425.70000114.4
51F27.2Very low28.5Very low176 Ų176144.8 Ų144.877%0.77276%0.763SS**  trans-8.3146.1149.8-87.2-85.6000118.3
52P32Very low28.5Very low113 Ų113148.5 Ų148.573%0.73477%0.772SS**  -147148.176.438.7-20.8000119.6
53N25.6Very low28.2Very low131 Ų131145.3 Ų145.370%0.70176%0.763SS**  trans30.3119.9137.2-53.5-14.5000121
54S31.3Very low28.2Very low117 Ų117148.9 Ų148.982%0.81878%0.782SS**  trans-151.398.6147.3-66.60000111.9
55T31.4Very low27.9Very low131 Ų131149.8 Ų149.880%0.80478%0.78SS**  44.596.5119-43.90000120.3
56L23.5Very low27.7Very low140 Ų140151 Ų15173%0.73378%0.784SS**  trans-13.9117.7143.7-167.6173.8000116.1
57L27.7Very low27.7Very low166 Ų166147.4 Ų147.487%0.86978%0.777SS**  trans-132.5120.5148.9-79.6179.4000110.2
58L24.2Very low27.7Very low146 Ų146144.8 Ų144.876%0.76477%0.769SS**  trans-87.2175.7159.1-84.3160.1000108.9
59S27Very low27.7Very low107 Ų107143.7 Ų143.775%0.74877%0.768SS**  trans75.7144.1-174.396.80000112
60L28.7Very low27.7Very low142 Ų142144 Ų14474%0.74377%0.769SS**  cis-144.6167.215.3-97.6161.3000112.9
61N28Very low27.9Very low135 Ų135142.7 Ų142.772%0.72277%0.765SS**  trans68.1123.2151.4-64.6-5000122.7
62E28.1Very low28.6Very low202 Ų202140 Ų14094%0.94476%0.759SS**  trans-83102.9156-61.3174.5107.800110.6
63S27.6Very low29.5Very low98 Ų98139.9 Ų139.969%0.68575%0.752SS**  trans-172.997.6154.657.70000112
64D29.6Very low31.3Very low169 Ų169135.7 Ų135.790%0.90473%0.732SS**  trans-172.5107.5144.3-107.8-20.8000110.7
65Q28Very low32.9Very low193 Ų193136.1 Ų136.190%0.90273%0.73SS**  trans-103.497.8161.6-77.9-164.927.800109
66F26.2Very low34.7Very low180 Ų180132.1 Ų132.179%0.78970%0.703SS**  trans-159136.9146.8-130.8-135.3000114.4
67N25.8Very low37.2Very low112 Ų112126.7 Ų126.760%0.59968%0.677SS**  trans69.1130.3153.6-70.9-6.6000123.6
68N26.6Very low39.7Very low118 Ų118123.6 Ų123.663%0.63166%0.661SS**SBendtrans84.290.8143.5-59.1-13.4000120.4K371N68-K371 PolarHBondContact O-NZ 3.44Å
69N27.1Very low42.5Very low136 Ų136119.9 Ų119.973%0.72764%0.644SS**  trans67.691.8157.5-48.5-3.3000115.6
70K27.3Very low45Very low197 Ų197115 Ų11586%0.85761%0.609SS**  trans-73.4128.2160.8-90.9179.3170.8173.90110.7
71S33.1Very low47.6Very low87 Ų87108.5 Ų108.561%0.60858%0.575SS**  trans-82.9134147.2450000108.3D73S71-D73 PolarHBondContact O-N 3.49Å; S71-D73 PolarHBondContact OG-OD2 3.18Å
72D41.7Very low50.4Low121 Ų121105.5 Ų105.565%0.64756%0.558SS**  trans-80.957.1-173.2-71.9-37.8000113.1C74D72-C74 PolarHBondContact O-N 3.1Å; D72-C74 VanDerWaalsContact O-N 3.16Å
73D51.8Low53.3Low110 Ų11096.7 Ų96.759%0.58852%0.518SS*.  trans-79.196.2179.4-62.7-28.3000110.5S71 T75S71-D73 PolarHBondContact O-N 3.49Å; S71-D73 PolarHBondContact OG-OD2 3.18Å; D73-T75 PolarHBondContact O-N 3.09Å
74C63.1Low56.1Low43 Ų4392 Ų9229%0.29149%0.485SS..PPolyproline II helixtrans-61.4119.4168.3-47.60000108.8D72 I76 C546D72-C74 PolarHBondContact O-N 3.1Å; D72-C74 VanDerWaalsContact O-N 3.16Å; C74-I76 PolarHBondContact O-N 3.44Å; C74-C546 HydrophobicContact CB-CB 3.73Å; C74-C546 WeakPolarHBondContact CB-SG 3.39Å; C74-C546 VanDerWaalsContact SG-CA 3.53Å; C74-C546 WeakPolarHBondContact SG-CB 3.49Å; C74-C546 CovalentContact SG-SG 2.04Å; C74-C546 PolarHBondContact SG-SG 2.88Å
75T64.8Low58.9Low125 Ų12585.6 Ų85.677%0.76745%0.449SS*.PPolyproline II helixtrans-71.8117.7175.144.90000110.5D73 S77D73-T75 PolarHBondContact O-N 3.09Å; T75-S77 PolarHBondContact O-N 3.3Å
76I69.5Low61.8Low47 Ų4781.4 Ų81.424%0.24143%0.426CS..PPolyproline II helixtrans-57.2127.7173-62.1173.9000108.3C74 E80 F81 R140 Y144C74-I76 PolarHBondContact O-N 3.44Å; I76-E80 HydrophobicContact CG2-CB 4.29Å; I76-E80 HydrophobicContact CG2-CG 4.12Å; I76-F81 HydrophobicContact CG2-CB 4.27Å; I76-R140 HydrophobicContact CD1-CG 4.47Å; I76-Y144 PolarHBondContact O-OH 3.08Å; I76-Y144 VanDerWaalsContact O-OH 3.08Å
77S76Confident64.9Low27 Ų2776.3 Ų76.319%0.18941%0.406CS..PPolyproline II helixtrans-75.5150.7179.170.80000111.5T75 T79 E80 F81T75-S77 PolarHBondContact O-N 3.3Å; S77-T79 PolarHBondContact O-N 3.42Å; S77-E80 WeakPolarHBondContact O-CB 3.5Å; S77-E80 PolarHBondContact O-N 3.4Å; S77-E80 VanDerWaalsContact O-N 3.14Å; S77-E80 WeakPolarHBondContact OG-CB 3.48Å; S77-E80 PolarHBondContact OG-N 3.44Å; S77-E80 VanDerWaalsContact OG-N 3.11Å; S77-F81 PolarHBondContact O-N 3.32Å
78L79.8Confident68.1Low100 Ų10071 Ų7152%0.52438%0.377SS..Hα-helixtrans-59.7-33.9176.3178.8146.5000111.8F81 I82 Y144L78-F81 PolarHBondContact O-N 2.91Å; L78-I82 HydrophobicContact CD2-CD1 3.59Å; L78-I82 HydrophobicContact CD2-CG1 4.48Å; L78-I82 HydrophobicContact CG-CD1 4.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 3.17Å; L78-Y144 HydrophobicContact CD1-CE1 4.48Å; L78-Y144 PolarHBondContact N-OH 3.21Å
79T82.5Confident71.3Confident69 Ų6966.6 Ų66.642%0.42336%0.355SS..Hα-helixtrans-63-49.3173.3-50.80000112S77 F81 I82 I83S77-T79 PolarHBondContact O-N 3.42Å; T79-F81 VanDerWaalsContact C-N 3.34Å; T79-I82 PolarHBondContact O-N 2.95Å; T79-I83 HydrophobicContact CG2-CD1 3.98Å; T79-I83 WeakPolarHBondContact O-CB 3.49Å; T79-I83 VanDerWaalsContact O-CG1 3.29Å; T79-I83 WeakPolarHBondContact O-CG1 3.32Å; T79-I83 PolarHBondContact O-N 3.08Å
80E80.3Confident74.5Confident3 Ų364.9 Ų64.91%0.01435%0.345CS..Hα-helixtrans-61.9-41.3176.4177.9169.7-141.200111.8I76 S77 I83 Y84 R554I76-E80 HydrophobicContact CG2-CB 4.29Å; I76-E80 HydrophobicContact CG2-CG 4.12Å; S77-E80 WeakPolarHBondContact O-CB 3.5Å; S77-E80 PolarHBondContact O-N 3.4Å; S77-E80 VanDerWaalsContact O-N 3.14Å; S77-E80 WeakPolarHBondContact OG-CB 3.48Å; S77-E80 PolarHBondContact OG-N 3.44Å; S77-E80 VanDerWaalsContact OG-N 3.11Å; E80-I83 PolarHBondContact O-N 3.29Å; E80-Y84 HydrophobicContact CG-CD2 3.6Å; E80-Y84 HydrophobicContact CG-CE2 3.69Å; E80-Y84 VanDerWaalsContact O-CD2 3.28Å; E80-Y84 WeakPolarHBondContact O-CD2 3.33Å; E80-Y84 PolarHBondContact O-N 3.2Å; E80-R554 IonicContact OE1-CZ 3.65Å; E80-R554 IonicContact OE1-NH2 3.27Å; E80-R554 PolarHBondContact OE1-NH2 3.46Å
81F83.2Confident77.7Confident6 Ų657 Ų573%0.02631%0.312CS..Hα-helixtrans-59.9-51.4174.5176.1-111.3000111.9I76 S77 L78 T79 I83 Y84 F85 Y86 R140 Y144 F145I76-F81 HydrophobicContact CG2-CB 4.27Å; S77-F81 PolarHBondContact O-N 3.32Å; L78-F81 PolarHBondContact O-N 2.91Å; T79-F81 VanDerWaalsContact C-N 3.34Å; F81-I83 VanDerWaalsContact C-N 3.34Å; F81-I83 PolarHBondContact O-N 3.16Å; F81-Y84 PolarHBondContact O-N 3.25Å; F81-F85 HydrophobicContact CD2-CB 4.04Å; F81-F85 HydrophobicContact CE2-CB 3.64Å; F81-F85 HydrophobicContact CE2-CD1 4.26Å; F81-F85 AromaticContact CE2-CD2 3.9Å; F81-F85 HydrophobicContact CE2-CD2 3.9Å; F81-F85 AromaticContact CE2-CG 3.67Å; F81-F85 HydrophobicContact CE2-CG 3.67Å; F81-F85 HydrophobicContact CZ-CB 3.95Å; F81-F85 AromaticContact CZ-CD1 3.84Å; F81-F85 HydrophobicContact CZ-CD1 3.84Å; F81-F85 HydrophobicContact CZ-CD2 4.24Å; F81-F85 HydrophobicContact CZ-CE1 4.4Å; F81-F85 AromaticContact CZ-CG 3.75Å; F81-F85 HydrophobicContact CZ-CG 3.75Å; F81-F85 WeakPolarHBondContact O-CB 3.26Å; F81-F85 PolarHBondContact O-N 3.48Å; F81-Y86 HydrophobicContact CE1-CE2 4.48Å; F81-R140 VanDerWaalsContact CD2-O 3.25Å; F81-R140 WeakPolarHBondContact CD2-O 3.06Å; F81-R140 VanDerWaalsContact CE2-O 3.3Å; F81-R140 WeakPolarHBondContact CE2-O 3.36Å; F81-Y144 HydrophobicContact CB-CD2 4.09Å; F81-Y144 HydrophobicContact CB-CE2 3.84Å; F81-Y144 AromaticContact CD1-CD2 3.62Å; F81-Y144 HydrophobicContact CD1-CD2 3.62Å; F81-Y144 HydrophobicContact CD1-CE2 4.18Å; F81-Y144 HydrophobicContact CD1-CG 4.12Å; F81-Y144 HydrophobicContact CD2-CD2 4.02Å; F81-Y144 HydrophobicContact CE1-CD2 4.06Å; F81-Y144 HydrophobicContact CE1-CG 4.29Å; F81-Y144 HydrophobicContact CE2-CD2 4.43Å; F81-Y144 AromaticContact CG-CD2 3.6Å; F81-Y144 HydrophobicContact CG-CD2 3.6Å; F81-Y144 AromaticContact CG-CE2 3.9Å; F81-Y144 HydrophobicContact CG-CE2 3.9Å; F81-Y144 HydrophobicContact CZ-CD2 4.46Å; F81-F145 HydrophobicContact CE1-CD2 4.27Å; F81-F145 AromaticContact CE1-CE2 3.7Å; F81-F145 HydrophobicContact CE1-CE2 3.7Å; F81-F145 AromaticContact CZ-CD2 3.9Å; F81-F145 HydrophobicContact CZ-CD2 3.9Å; F81-F145 AromaticContact CZ-CE2 3.66Å; F81-F145 HydrophobicContact CZ-CE2 3.66Å
82I87Confident80.7Confident72 Ų7252.8 Ų52.837%0.36928%0.283SS..Hα-helixtrans-60.6-44.6178.9-71.2171.8000111.3L78 T79 Y86 I87L78-I82 HydrophobicContact CD2-CD1 3.59Å; L78-I82 HydrophobicContact CD2-CG1 4.48Å; L78-I82 HydrophobicContact CG-CD1 4.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 3.17Å; T79-I82 PolarHBondContact O-N 2.95Å; I82-Y86 PolarHBondContact O-N 2.97Å; I82-Y86 VanDerWaalsContact O-N 3.08Å; I82-I87 HydrophobicContact CG2-CD1 4.31Å; I82-I87 HydrophobicContact CG2-CG1 4.47Å; I82-I87 PolarHBondContact O-N 3.42Å
83I89.1Confident83.2Confident18 Ų1852.5 Ų52.59%0.09228%0.276CS..Iπ-helixtrans-56-55.8178.3-78.6168.7000110.9T79 E80 F81 I87 Q88 I556 M559T79-I83 HydrophobicContact CG2-CD1 3.98Å; T79-I83 WeakPolarHBondContact O-CB 3.49Å; T79-I83 VanDerWaalsContact O-CG1 3.29Å; T79-I83 WeakPolarHBondContact O-CG1 3.32Å; T79-I83 PolarHBondContact O-N 3.08Å; E80-I83 PolarHBondContact O-N 3.29Å; F81-I83 VanDerWaalsContact C-N 3.34Å; F81-I83 PolarHBondContact O-N 3.16Å; I83-I87 HydrophobicContact CG1-CD1 4.35Å; I83-I87 WeakPolarHBondContact O-CB 3.5Å; I83-I87 PolarHBondContact O-N 3.36Å; I83-Q88 PolarHBondContact O-N 2.88Å; I83-I556 HydrophobicContact CD1-CG1 4.43Å; I83-M559 HydrophobicContact CG2-CE 4.43Å; I83-M559 HydrophobicContact CG2-CG 3.37Å; I83-M559 HydrophobicContact CG2-SD 3.92Å
84Y86.5Confident85.4Confident0 Ų051.2 Ų51.20%027%0.268CS..Iπ-helixtrans-78.6-35-173.3-74.2-61.1000113.3E80 F81 Q88 P89 G137 R140 H558E80-Y84 HydrophobicContact CG-CD2 3.6Å; E80-Y84 HydrophobicContact CG-CE2 3.69Å; E80-Y84 VanDerWaalsContact O-CD2 3.28Å; E80-Y84 WeakPolarHBondContact O-CD2 3.33Å; E80-Y84 PolarHBondContact O-N 3.2Å; F81-Y84 PolarHBondContact O-N 3.25Å; Y84-Q88 VanDerWaalsContact CD1-OE1 3.27Å; Y84-P89 WeakPolarHBondContact O-CD 3.41Å; Y84-G137 WeakPolarHBondContact O-CA 3.41Å; Y84-R140 VanDerWaalsContact CD1-NH1 3.33Å; Y84-R140 VanDerWaalsContact CD2-CZ 3.47Å; Y84-R140 VanDerWaalsContact CD2-NH1 3.31Å; Y84-R140 VanDerWaalsContact CE2-CZ 3.46Å; Y84-R140 VanDerWaalsContact CG-NH1 3.27Å; Y84-H558 AromaticContact CE1-ND1 3.8Å
85F87.1Confident87Confident33 Ų3349.2 Ų49.215%0.14526%0.255CS..Iπ-helixtrans-81.4-38.9-175.4-170.2-99.5000113F81 L138 C141 F145F81-F85 HydrophobicContact CD2-CB 4.04Å; F81-F85 HydrophobicContact CE2-CB 3.64Å; F81-F85 HydrophobicContact CE2-CD1 4.26Å; F81-F85 AromaticContact CE2-CD2 3.9Å; F81-F85 HydrophobicContact CE2-CD2 3.9Å; F81-F85 AromaticContact CE2-CG 3.67Å; F81-F85 HydrophobicContact CE2-CG 3.67Å; F81-F85 HydrophobicContact CZ-CB 3.95Å; F81-F85 AromaticContact CZ-CD1 3.84Å; F81-F85 HydrophobicContact CZ-CD1 3.84Å; F81-F85 HydrophobicContact CZ-CD2 4.24Å; F81-F85 HydrophobicContact CZ-CE1 4.4Å; F81-F85 AromaticContact CZ-CG 3.75Å; F81-F85 HydrophobicContact CZ-CG 3.75Å; F81-F85 WeakPolarHBondContact O-CB 3.26Å; F81-F85 PolarHBondContact O-N 3.48Å; F85-L138 HydrophobicContact CD2-CD2 4.23Å; F85-L138 HydrophobicContact CE2-CD2 3.76Å; F85-L138 HydrophobicContact CZ-CD2 4.28Å; F85-C141 HydrophobicContact CD2-CB 4.31Å; F85-C141 HydrophobicContact CE2-CB 3.79Å; F85-F145 HydrophobicContact CE1-CE2 4.45Å
86Y89.6Confident88.5Confident106 Ų10645.6 Ų45.642%0.41623%0.228SC..Iπ-helixtrans-104.6-52.2-178.2-66.1-70000113.4F81 I82 I90 F145F81-Y86 HydrophobicContact CE1-CE2 4.48Å; I82-Y86 PolarHBondContact O-N 2.97Å; I82-Y86 VanDerWaalsContact O-N 3.08Å; Y86-I90 WeakPolarHBondContact O-CD1 3.45Å; Y86-I90 VanDerWaalsContact O-CG1 3.31Å; Y86-I90 WeakPolarHBondContact O-CG1 3.33Å; Y86-F145 WeakPolarHBondContact OH-CE2 3.21Å; Y86-F145 WeakPolarHBondContact OH-CZ 3.3Å
87I92.2Very high89.8Confident72 Ų7246.9 Ų46.937%0.36924%0.235SC..Iπ-helixtrans-74.9-41.8-167.3-48.4-179.3000110.9I82 I83 I90 I91 M559I82-I87 HydrophobicContact CG2-CD1 4.31Å; I82-I87 HydrophobicContact CG2-CG1 4.47Å; I82-I87 PolarHBondContact O-N 3.42Å; I83-I87 HydrophobicContact CG1-CD1 4.35Å; I83-I87 WeakPolarHBondContact O-CB 3.5Å; I83-I87 PolarHBondContact O-N 3.36Å; I87-I90 PolarHBondContact O-N 3.29Å; I87-I91 HydrophobicContact CG2-CD1 3.88Å; I87-I91 HydrophobicContact CG2-CG1 4.33Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 2.76Å; I87-M559 HydrophobicContact CB-CE 3.67Å; I87-M559 HydrophobicContact CG2-CE 3.4Å
88Q92.7Very high90.7Very high0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-59.4-53.8179.9173.7170.3-50.400113.2I83 Y84 I90 I91 C92 Y133 S136 H558 M559 L562I83-Q88 PolarHBondContact O-N 2.88Å; Y84-Q88 VanDerWaalsContact CD1-OE1 3.27Å; Q88-I90 VanDerWaalsContact C-N 3.26Å; Q88-I90 PolarHBondContact O-N 2.94Å; Q88-I91 PolarHBondContact O-N 3Å; Q88-C92 WeakPolarHBondContact O-CB 3.41Å; Q88-C92 PolarHBondContact O-N 3.34Å; Q88-C92 PolarHBondContact O-SG 3.36Å; Q88-Y133 PolarHBondContact NE2-O 2.69Å; Q88-S136 PolarHBondContact NE2-OG 3.4Å; Q88-H558 PolarHBondContact OE1-CE1 3.18Å; Q88-H558 VanDerWaalsContact OE1-CE1 3.24Å; Q88-M559 HydrophobicContact CB-CE 4.24Å; Q88-M559 HydrophobicContact CB-SD 3.74Å; Q88-M559 HydrophobicContact CG-SD 4.45Å; Q88-L562 HydrophobicContact CG-CD1 3.72Å
89P92.5Very high91.5Very high26 Ų2641.8 Ų41.817%0.16921%0.206CC..Hα-helixtrans-59.6-35.5-179.2-26.636.7000113.3Y84 F93Y84-P89 WeakPolarHBondContact O-CD 3.41Å; P89-F93 WeakPolarHBondContact O-CB 3.49Å; P89-F93 PolarHBondContact O-N 3.01Å
90I94.3Very high92.1Very high100 Ų10040.1 Ų40.151%0.51319%0.194SC..Hα-helixtrans-66.2-47.6177.1-65.5170.3000111.1Y86 I87 Q88 I94Y86-I90 WeakPolarHBondContact O-CD1 3.45Å; Y86-I90 VanDerWaalsContact O-CG1 3.31Å; Y86-I90 WeakPolarHBondContact O-CG1 3.33Å; I87-I90 PolarHBondContact O-N 3.29Å; Q88-I90 VanDerWaalsContact C-N 3.26Å; Q88-I90 PolarHBondContact O-N 2.94Å; I90-I94 HydrophobicContact CG2-CD1 3.81Å; I90-I94 WeakPolarHBondContact O-CB 3.44Å; I90-I94 WeakPolarHBondContact O-CG1 3.5Å; I90-I94 PolarHBondContact O-N 2.88Å; I90-I94 VanDerWaalsContact O-N 3.07Å
91I95.2Very high92.7Very high31 Ų3141.1 Ų41.116%0.15920%0.199CC..Hα-helixtrans-64.4-42177.9-69.6-177.2000111.1I87 Q88 G95 M559 L562 F563 S566I87-I91 HydrophobicContact CG2-CD1 3.88Å; I87-I91 HydrophobicContact CG2-CG1 4.33Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 2.76Å; Q88-I91 PolarHBondContact O-N 3Å; I91-G95 PolarHBondContact O-N 3.44Å; I91-M559 HydrophobicContact CD1-CE 3.78Å; I91-L562 HydrophobicContact CG2-CB 4.46Å; I91-F563 HydrophobicContact CD1-CB 4.47Å; I91-F563 HydrophobicContact CD1-CD2 4.24Å; I91-F563 HydrophobicContact CG2-CD2 4.48Å; I91-S566 PolarHBondContact O-OG 3.21Å; I91-S566 VanDerWaalsContact O-OG 3.11Å
92C95.6Very high93.3Very high0 Ų040.8 Ų40.80%020%0.198CC..Hα-helixtrans-61.5-50.2176.1-78.40000112.5Q88 G95 F96 L130 M134Q88-C92 WeakPolarHBondContact O-CB 3.41Å; Q88-C92 PolarHBondContact O-N 3.34Å; Q88-C92 PolarHBondContact O-SG 3.36Å; C92-G95 PolarHBondContact O-N 3.06Å; C92-F96 VanDerWaalsContact O-CB 3.28Å; C92-F96 WeakPolarHBondContact O-CB 3.29Å; C92-F96 PolarHBondContact O-N 3.5Å; C92-L130 VanDerWaalsContact CB-O 3.26Å; C92-L130 WeakPolarHBondContact CB-O 3.46Å; C92-L130 PolarHBondContact SG-O 3.31Å; C92-L130 VanDerWaalsContact SG-O 3.34Å; C92-M134 HydrophobicContact CB-CB 3.83Å; C92-M134 HydrophobicContact CB-CG 4.01Å
93F95.5Very high93.6Very high115 Ų11538 Ų3850%0.50418%0.184SC..Hα-helixtrans-63.6-47-178.3179.2-104.1000112.4P89 I97 M134P89-F93 WeakPolarHBondContact O-CB 3.49Å; P89-F93 PolarHBondContact O-N 3.01Å; F93-I97 HydrophobicContact CD1-CD1 4.12Å; F93-I97 HydrophobicContact CE1-CD1 3.65Å; F93-I97 HydrophobicContact CE2-CD1 4.15Å; F93-I97 HydrophobicContact CZ-CD1 3.68Å; F93-I97 WeakPolarHBondContact O-CG1 3.43Å; F93-I97 PolarHBondContact O-N 3.29Å; F93-M134 HydrophobicContact CB-SD 4.16Å; F93-M134 HydrophobicContact CD2-SD 4.13Å
94I96.5Very high93.7Very high83 Ų8339.5 Ų39.543%0.42619%0.192SC..Hα-helixtrans-64.1-48.2176.9-65.9172000109.9I90 F96 I97 L98I90-I94 HydrophobicContact CG2-CD1 3.81Å; I90-I94 WeakPolarHBondContact O-CB 3.44Å; I90-I94 WeakPolarHBondContact O-CG1 3.5Å; I90-I94 PolarHBondContact O-N 2.88Å; I90-I94 VanDerWaalsContact O-N 3.07Å; I94-F96 PolarHBondContact O-N 3.01Å; I94-I97 PolarHBondContact O-N 3.07Å; I94-L98 HydrophobicContact CG2-CD1 3.83Å; I94-L98 HydrophobicContact CG2-CG 4.16Å; I94-L98 WeakPolarHBondContact O-CB 3.37Å; I94-L98 VanDerWaalsContact O-CG 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 3.17Å
95G96.9Very high94Very high0 Ų039.6 Ų39.60%019%0.192CC..Hα-helixtrans-60.9-40-179.400000114I91 C92 L98 N99 S566I91-G95 PolarHBondContact O-N 3.44Å; C92-G95 PolarHBondContact O-N 3.06Å; G95-L98 PolarHBondContact O-N 3.35Å; G95-N99 WeakPolarHBondContact O-CB 3.44Å; G95-N99 PolarHBondContact O-N 3.36Å; G95-N99 PolarHBondContact O-ND2 3.39Å; G95-S566 VanDerWaalsContact CA-OG 3.26Å; G95-S566 WeakPolarHBondContact CA-OG 3.48Å
96F96.7Very high94.3Very high50 Ų5038 Ų3822%0.21919%0.186CC..Hα-helixtrans-58.1-51.7173.7174.4-105.2000111.1L3 C92 I94 L98 N99 I100 A127 I131L3-F96 HydrophobicContact CD2-CZ 4.44Å; C92-F96 VanDerWaalsContact O-CB 3.28Å; C92-F96 WeakPolarHBondContact O-CB 3.29Å; C92-F96 PolarHBondContact O-N 3.5Å; I94-F96 PolarHBondContact O-N 3.01Å; F96-L98 VanDerWaalsContact C-N 3.35Å; F96-L98 PolarHBondContact O-N 3.06Å; F96-N99 PolarHBondContact O-N 3.23Å; F96-I100 HydrophobicContact CD2-CG1 4.35Å; F96-I100 HydrophobicContact CE1-CG1 4.24Å; F96-I100 HydrophobicContact CE2-CD1 4.19Å; F96-I100 HydrophobicContact CE2-CG1 4Å; F96-I100 HydrophobicContact CZ-CD1 4.3Å; F96-I100 HydrophobicContact CZ-CG1 3.94Å; F96-I100 WeakPolarHBondContact O-CG1 3.38Å; F96-I100 PolarHBondContact O-N 3.43Å; F96-A127 HydrophobicContact CD2-CB 4.02Å; F96-A127 WeakPolarHBondContact CD2-O 3.46Å; F96-A127 HydrophobicContact CE2-CB 4.35Å; F96-I131 HydrophobicContact CD2-CB 3.81Å; F96-I131 HydrophobicContact CD2-CG1 4.44Å; F96-I131 HydrophobicContact CD2-CG2 4.44Å; F96-I131 HydrophobicContact CE2-CB 4.02Å; F96-I131 HydrophobicContact CE2-CG1 4.36Å; F96-I131 HydrophobicContact CE2-CG2 4.34Å; F96-I131 HydrophobicContact CG-CB 4.44Å; F96-I131 HydrophobicContact CG-CD1 4.45Å
97I96.1Very high94.2Very high73 Ų7333.8 Ų33.837%0.37417%0.171SC..Hα-helixtrans-58.7-47.6177.7-66.7169000110.6F93 I94 N99 I100 L101F93-I97 HydrophobicContact CD1-CD1 4.12Å; F93-I97 HydrophobicContact CE1-CD1 3.65Å; F93-I97 HydrophobicContact CE2-CD1 4.15Å; F93-I97 HydrophobicContact CZ-CD1 3.68Å; F93-I97 WeakPolarHBondContact O-CG1 3.43Å; F93-I97 PolarHBondContact O-N 3.29Å; I94-I97 PolarHBondContact O-N 3.07Å; I97-N99 VanDerWaalsContact C-N 3.33Å; I97-N99 PolarHBondContact O-N 3.29Å; I97-I100 PolarHBondContact O-N 3.09Å; I97-L101 HydrophobicContact CG2-CD1 4.47Å; I97-L101 WeakPolarHBondContact O-CG 3.37Å; I97-L101 PolarHBondContact O-N 3.08Å
98L96.5Very high94Very high20 Ų2033.1 Ų33.111%0.10516%0.164CC..Hα-helixtrans-63.1-35.7-179.2-69.5-174.8000113I94 G95 F96 L101 N102 F569 F570I94-L98 HydrophobicContact CG2-CD1 3.83Å; I94-L98 HydrophobicContact CG2-CG 4.16Å; I94-L98 WeakPolarHBondContact O-CB 3.37Å; I94-L98 VanDerWaalsContact O-CG 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 3.17Å; G95-L98 PolarHBondContact O-N 3.35Å; F96-L98 VanDerWaalsContact C-N 3.35Å; F96-L98 PolarHBondContact O-N 3.06Å; L98-L101 HydrophobicContact CD2-CD1 4.28Å; L98-L101 WeakPolarHBondContact O-CB 3.45Å; L98-L101 PolarHBondContact O-N 3.4Å; L98-N102 PolarHBondContact O-N 3.06Å; L98-N102 PolarHBondContact O-ND2 3.29Å; L98-F569 HydrophobicContact CB-CB 3.76Å; L98-F569 HydrophobicContact CB-CD2 4.49Å; L98-F569 HydrophobicContact CB-CG 4.11Å; L98-F569 HydrophobicContact CD1-CB 4.28Å; L98-F569 HydrophobicContact CD1-CD1 4.42Å; L98-F569 HydrophobicContact CD2-CB 4.36Å; L98-F569 HydrophobicContact CD2-CD1 3.72Å; L98-F569 HydrophobicContact CD2-CD2 4.22Å; L98-F569 HydrophobicContact CD2-CE1 3.99Å; L98-F569 HydrophobicContact CD2-CE2 4.47Å; L98-F569 HydrophobicContact CD2-CG 3.85Å; L98-F569 HydrophobicContact CD2-CZ 4.36Å; L98-F569 HydrophobicContact CG-CB 4.35Å; L98-F569 HydrophobicContact CG-CD1 4.49Å; L98-F569 HydrophobicContact CG-CG 4.38Å; L98-F570 HydrophobicContact CD1-CD2 4.22Å; L98-F570 HydrophobicContact CD1-CE2 3.43Å; L98-F570 VanDerWaalsContact CD1-CE2 3.43Å; L98-F570 HydrophobicContact CD1-CZ 3.86Å
99N95.7Very high93.3Very high0 Ų038.4 Ų38.40%020%0.198CC..Hα-helixtrans-77.5-34175.9-85.6-53.6000113.5G95 F96 I97 L101 N102 V103 S123 A127 Y565G95-N99 WeakPolarHBondContact O-CB 3.44Å; G95-N99 PolarHBondContact O-N 3.36Å; G95-N99 PolarHBondContact O-ND2 3.39Å; F96-N99 PolarHBondContact O-N 3.23Å; I97-N99 VanDerWaalsContact C-N 3.33Å; I97-N99 PolarHBondContact O-N 3.29Å; N99-L101 VanDerWaalsContact C-N 3.27Å; N99-L101 PolarHBondContact O-N 2.99Å; N99-N102 WeakPolarHBondContact O-CB 3.35Å; N99-N102 PolarHBondContact O-N 2.79Å; N99-N102 VanDerWaalsContact O-N 3.14Å; N99-N102 PolarHBondContact OD1-ND2 3.24Å; N99-V103 WeakPolarHBondContact O-CG2 3.43Å; N99-V103 PolarHBondContact O-N 3.48Å; N99-S123 WeakPolarHBondContact CB-O 3.46Å; N99-S123 WeakPolarHBondContact OD1-CB 3.46Å; N99-S123 PolarHBondContact OD1-OG 3.42Å; N99-A127 HydrophobicContact CB-CB 4.02Å; N99-Y565 PolarHBondContact ND2-O 3.48Å
100I94.9Very high92.7Very high35 Ų3543 Ų4318%0.17922%0.218CC..Hα-helixtrans-61.3-37.8167.8-66.6-60.6000110.8L3 F96 I97 V103 I104 A127L3-I100 HydrophobicContact CD1-CG2 4.35Å; L3-I100 HydrophobicContact CD2-CD1 4.18Å; F96-I100 HydrophobicContact CD2-CG1 4.35Å; F96-I100 HydrophobicContact CE1-CG1 4.24Å; F96-I100 HydrophobicContact CE2-CD1 4.19Å; F96-I100 HydrophobicContact CE2-CG1 4Å; F96-I100 HydrophobicContact CZ-CD1 4.3Å; F96-I100 HydrophobicContact CZ-CG1 3.94Å; F96-I100 WeakPolarHBondContact O-CG1 3.38Å; F96-I100 PolarHBondContact O-N 3.43Å; I97-I100 PolarHBondContact O-N 3.09Å; I100-V103 PolarHBondContact O-N 2.84Å; I100-I104 HydrophobicContact CG2-CD1 3.86Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.24Å; I100-I104 PolarHBondContact O-N 3.37Å; I100-A127 HydrophobicContact CD1-CB 4.4Å
101L93.8Very high92.2Very high23 Ų2338.8 Ų38.812%0.1220%0.196CC..Hα-helixtrans-62.2-43.9171.2-67.9178.3000112.2I97 L98 N99 V103 I104 I105 F569 W586I97-L101 HydrophobicContact CG2-CD1 4.47Å; I97-L101 WeakPolarHBondContact O-CG 3.37Å; I97-L101 PolarHBondContact O-N 3.08Å; L98-L101 HydrophobicContact CD2-CD1 4.28Å; L98-L101 WeakPolarHBondContact O-CB 3.45Å; L98-L101 PolarHBondContact O-N 3.4Å; N99-L101 VanDerWaalsContact C-N 3.27Å; N99-L101 PolarHBondContact O-N 2.99Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.49Å; L101-I104 PolarHBondContact O-N 3.22Å; L101-I105 HydrophobicContact CB-CD1 4.48Å; L101-I105 VanDerWaalsContact O-CD1 3.23Å; L101-I105 WeakPolarHBondContact O-CD1 3.43Å; L101-I105 WeakPolarHBondContact O-CG1 3.14Å; L101-I105 PolarHBondContact O-N 3.02Å; L101-F569 HydrophobicContact CB-CD2 4.13Å; L101-F569 HydrophobicContact CB-CE2 3.9Å; L101-F569 HydrophobicContact CD1-CE2 3.96Å; L101-F569 HydrophobicContact CD1-CZ 4.36Å; L101-W586 HydrophobicContact CD2-CE3 4.26Å; L101-W586 HydrophobicContact CD2-CH2 3.28Å; L101-W586 HydrophobicContact CD2-CZ2 4.36Å; L101-W586 HydrophobicContact CD2-CZ3 3.23Å
102N94.7Very high91.2Very high0 Ų040.8 Ų40.80%021%0.212CC..Hα-helixtrans-53.9-49175.1-69.3-28.2000111.2L98 N99 I105 F106 S123 F569 Y572 F579L98-N102 PolarHBondContact O-N 3.06Å; L98-N102 PolarHBondContact O-ND2 3.29Å; N99-N102 WeakPolarHBondContact O-CB 3.35Å; N99-N102 PolarHBondContact O-N 2.79Å; N99-N102 VanDerWaalsContact O-N 3.14Å; N99-N102 PolarHBondContact OD1-ND2 3.24Å; N102-I105 PolarHBondContact O-N 2.93Å; N102-F106 HydrophobicContact CB-CD2 4.31Å; N102-F106 HydrophobicContact CB-CE2 4.22Å; N102-F106 WeakPolarHBondContact O-CB 3.37Å; N102-F106 WeakPolarHBondContact O-CD2 3.37Å; N102-F106 WeakPolarHBondContact O-CG 3.19Å; N102-F106 PolarHBondContact O-N 3.18Å; N102-S123 WeakPolarHBondContact CB-OG 3.5Å; N102-S123 PolarHBondContact ND2-OG 3.18Å; N102-F569 WeakPolarHBondContact OD1-CA 3.22Å; N102-F569 WeakPolarHBondContact OD1-CD2 3.38Å; N102-Y572 HydrophobicContact CB-CE2 4.46Å; N102-Y572 WeakPolarHBondContact OD1-CD2 3.44Å; N102-F579 VanDerWaalsContact OD1-CZ 3.27Å; N102-F579 WeakPolarHBondContact OD1-CZ 3.45Å
103V94.6Very high90.5Very high13 Ų1342.5 Ų42.58%0.07923%0.23CC..Hα-helixtrans-61-48.1178.2175.20000111.8N99 I100 L101 I105 F106 C107 I120 L124N99-V103 WeakPolarHBondContact O-CG2 3.43Å; N99-V103 PolarHBondContact O-N 3.48Å; I100-V103 PolarHBondContact O-N 2.84Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.49Å; V103-I105 PolarHBondContact O-N 3.29Å; V103-F106 PolarHBondContact O-N 3.41Å; V103-C107 VanDerWaalsContact O-CB 3.3Å; V103-C107 WeakPolarHBondContact O-CB 3.44Å; V103-C107 PolarHBondContact O-N 2.91Å; V103-C107 PolarHBondContact O-SG 2.92Å; V103-C107 VanDerWaalsContact O-SG 3.35Å; V103-I120 HydrophobicContact CG1-CG2 4.43Å; V103-L124 HydrophobicContact CG1-CD2 4.28Å; V103-L124 HydrophobicContact CG2-CD2 3.93Å; V103-L124 HydrophobicContact CG2-CG 3.82Å
104I91.2Very high89.9Confident49 Ų4937.5 Ų37.525%0.25121%0.21SC..Hα-helixtrans-58.8-36.6179.2-70.5165.7000111.8I100 L101 W586I100-I104 HydrophobicContact CG2-CD1 3.86Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.24Å; I100-I104 PolarHBondContact O-N 3.37Å; L101-I104 PolarHBondContact O-N 3.22Å; I104-W586 HydrophobicContact CD1-CZ2 4.18Å; I104-W586 HydrophobicContact CG2-CD2 4.45Å; I104-W586 HydrophobicContact CG2-CZ2 3.95Å
105I92.3Very high89.4Confident2 Ų233.7 Ų33.71%0.0119%0.191CC..Hα-helixtrans-78.4-47.3-178.7-63.5157000110.7L101 N102 V103 C107 R108 F111 F569 F579 Q582 L583L101-I105 HydrophobicContact CB-CD1 4.48Å; L101-I105 VanDerWaalsContact O-CD1 3.23Å; L101-I105 WeakPolarHBondContact O-CD1 3.43Å; L101-I105 WeakPolarHBondContact O-CG1 3.14Å; L101-I105 PolarHBondContact O-N 3.02Å; N102-I105 PolarHBondContact O-N 2.93Å; V103-I105 PolarHBondContact O-N 3.29Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 2.88Å; I105-R108 VanDerWaalsContact O-CB 3.23Å; I105-R108 WeakPolarHBondContact O-CB 3.3Å; I105-R108 VanDerWaalsContact O-CG 3.23Å; I105-R108 WeakPolarHBondContact O-CG 3.48Å; I105-R108 PolarHBondContact O-N 2.89Å; I105-R108 VanDerWaalsContact O-N 3.09Å; I105-F111 HydrophobicContact CG2-CE2 3.84Å; I105-F111 HydrophobicContact CG2-CZ 4.32Å; I105-F111 WeakPolarHBondContact O-CD2 3.41Å; I105-F111 VanDerWaalsContact O-CE2 3.29Å; I105-F111 WeakPolarHBondContact O-CE2 3.41Å; I105-F569 HydrophobicContact CD1-CE2 4.46Å; I105-F579 HydrophobicContact CB-CD2 4.18Å; I105-F579 HydrophobicContact CB-CE2 3.8Å; I105-F579 HydrophobicContact CB-CZ 4.43Å; I105-F579 HydrophobicContact CD1-CD2 4.49Å; I105-F579 HydrophobicContact CD1-CE1 4.03Å; I105-F579 HydrophobicContact CD1-CE2 3.72Å; I105-F579 HydrophobicContact CD1-CZ 3.45Å; I105-F579 VanDerWaalsContact CD1-CZ 3.45Å; I105-F579 HydrophobicContact CG1-CE2 4.39Å; I105-F579 HydrophobicContact CG2-CD2 3.48Å; I105-F579 VanDerWaalsContact CG2-CD2 3.48Å; I105-F579 HydrophobicContact CG2-CE2 3.63Å; I105-F579 HydrophobicContact CG2-CG 4.16Å; I105-F579 HydrophobicContact CG2-CZ 4.4Å; I105-Q582 HydrophobicContact CG2-CB 3.98Å; I105-L583 HydrophobicContact CD1-CB 4.12Å; I105-L583 HydrophobicContact CD1-CD1 3.47Å; I105-L583 VanDerWaalsContact CD1-CD1 3.47Å; I105-L583 HydrophobicContact CD1-CG 4.37Å; I105-L583 HydrophobicContact CG1-CD1 4.49Å
106F91.8Very high89Confident1 Ų135.4 Ų35.40%0.00420%0.198CC..Hα-helixtrans-69.6-24.4179.6-68.4-50.8000113.6N102 V103 R108 F111 Y116 M119 I120 Y572 F579N102-F106 HydrophobicContact CB-CD2 4.31Å; N102-F106 HydrophobicContact CB-CE2 4.22Å; N102-F106 WeakPolarHBondContact O-CB 3.37Å; N102-F106 WeakPolarHBondContact O-CD2 3.37Å; N102-F106 WeakPolarHBondContact O-CG 3.19Å; N102-F106 PolarHBondContact O-N 3.18Å; V103-F106 PolarHBondContact O-N 3.41Å; F106-R108 PolarHBondContact O-N 3.29Å; F106-R108 VanDerWaalsContact O-N 3.14Å; F106-F111 HydrophobicContact CD1-CB 4.34Å; F106-F111 HydrophobicContact CD1-CD1 4.17Å; F106-F111 HydrophobicContact CD1-CD2 4.14Å; F106-F111 HydrophobicContact CD1-CE2 4.48Å; F106-F111 AromaticContact CD1-CG 3.96Å; F106-F111 HydrophobicContact CD1-CG 3.96Å; F106-F111 HydrophobicContact CE1-CD1 4.5Å; F106-Y116 AromaticContact CD1-CD1 3.9Å; F106-Y116 HydrophobicContact CD1-CD1 3.9Å; F106-Y116 HydrophobicContact CD1-CE1 4.33Å; F106-Y116 HydrophobicContact CE1-CD1 4.05Å; F106-Y116 HydrophobicContact CE1-CE1 4.15Å; F106-M119 HydrophobicContact CD2-CB 4.35Å; F106-M119 HydrophobicContact CE2-CB 4.17Å; F106-M119 HydrophobicContact CZ-SD 4.15Å; F106-I120 HydrophobicContact CB-CD1 3.88Å; F106-I120 HydrophobicContact CB-CG1 3.45Å; F106-I120 VanDerWaalsContact CB-CG1 3.45Å; F106-I120 HydrophobicContact CG-CG1 4.43Å; F106-Y572 HydrophobicContact CE2-CD1 4.32Å; F106-Y572 AromaticContact CE2-CD2 3.89Å; F106-Y572 HydrophobicContact CE2-CD2 3.89Å; F106-Y572 HydrophobicContact CE2-CE1 4.09Å; F106-Y572 AromaticContact CE2-CE2 3.67Å; F106-Y572 HydrophobicContact CE2-CE2 3.67Å; F106-Y572 HydrophobicContact CE2-CG 4.23Å; F106-Y572 AromaticContact CE2-CZ 3.78Å; F106-Y572 AromaticContact CZ-CD1 3.66Å; F106-Y572 HydrophobicContact CZ-CD1 3.66Å; F106-Y572 AromaticContact CZ-CD2 3.95Å; F106-Y572 HydrophobicContact CZ-CD2 3.95Å; F106-Y572 AromaticContact CZ-CE1 3.71Å; F106-Y572 HydrophobicContact CZ-CE1 3.71Å; F106-Y572 HydrophobicContact CZ-CE2 4.02Å; F106-Y572 AromaticContact CZ-CG 3.8Å; F106-Y572 HydrophobicContact CZ-CG 3.8Å; F106-Y572 AromaticContact CZ-CZ 3.9Å; F106-F579 HydrophobicContact CD1-CD2 4.37Å; F106-F579 AromaticContact CE1-CD2 3.72Å; F106-F579 HydrophobicContact CE1-CD2 3.72Å; F106-F579 HydrophobicContact CE1-CE2 4.25Å; F106-F579 HydrophobicContact CE2-CD2 4.34Å; F106-F579 HydrophobicContact CE2-CE2 4.07Å; F106-F579 AromaticContact CZ-CD2 3.7Å; F106-F579 HydrophobicContact CZ-CD2 3.7Å; F106-F579 AromaticContact CZ-CE2 3.88Å; F106-F579 HydrophobicContact CZ-CE2 3.88Å
107C88.6Confident88.7Confident17 Ų1733.4 Ų33.412%0.11519%0.191CC..THydrogen-bonded Turntrans-66.4-6.5169.7-79.10000114.1I12 V103 I105I12-C107 HydrophobicContact CD1-CB 4.3Å; V103-C107 VanDerWaalsContact O-CB 3.3Å; V103-C107 WeakPolarHBondContact O-CB 3.44Å; V103-C107 PolarHBondContact O-N 2.91Å; V103-C107 PolarHBondContact O-SG 2.92Å; V103-C107 VanDerWaalsContact O-SG 3.35Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 2.88Å
108R87.4Confident88.5Confident57 Ų5730.3 Ų30.322%0.21517%0.174CC..SBendtrans-70.4137.1172.6-63.8-73.7169.8162.3-4.8110.8Y10 I105 F106 Q110 F111Y10-R108 VanDerWaalsContact CE1-NH2 3.29Å; Y10-R108 PolarHBondContact OH-NH2 3.45Å; I105-R108 VanDerWaalsContact O-CB 3.23Å; I105-R108 WeakPolarHBondContact O-CB 3.3Å; I105-R108 VanDerWaalsContact O-CG 3.23Å; I105-R108 WeakPolarHBondContact O-CG 3.48Å; I105-R108 PolarHBondContact O-N 2.89Å; I105-R108 VanDerWaalsContact O-N 3.09Å; F106-R108 PolarHBondContact O-N 3.29Å; F106-R108 VanDerWaalsContact O-N 3.14Å; R108-Q110 PolarHBondContact O-N 3.09Å; R108-F111 HydrophobicContact CB-CD2 4.2Å; R108-F111 HydrophobicContact CB-CE2 4.44Å; R108-F111 PolarHBondContact O-N 3.2Å
109P79.4Confident88.3Confident111 Ų11129.3 Ų29.372%0.72117%0.169SC*.THydrogen-bonded Turntrans-65.9-2.5-171.326.5-36.3000115.8F111P109-F111 VanDerWaalsContact C-N 3.33Å
110Q80Confident88.2Confident124 Ų12429.5 Ų29.558%0.57917%0.17SC*.THydrogen-bonded Turntrans-72.1-27.5169.5-62-167.7-4.500112.2R108 S112R108-Q110 PolarHBondContact O-N 3.09Å; Q110-S112 VanDerWaalsContact C-N 3.35Å; Q110-S112 PolarHBondContact O-N 3.06Å
111F82.5Confident88.1Confident10 Ų1028.3 Ų28.34%0.04417%0.166CC..SBendtrans-93.257.1-177.4-58.3-66.4000111.9I105 F106 R108 P109 Y116 H578 Q582I105-F111 HydrophobicContact CG2-CE2 3.84Å; I105-F111 HydrophobicContact CG2-CZ 4.32Å; I105-F111 WeakPolarHBondContact O-CD2 3.41Å; I105-F111 VanDerWaalsContact O-CE2 3.29Å; I105-F111 WeakPolarHBondContact O-CE2 3.41Å; F106-F111 HydrophobicContact CD1-CB 4.34Å; F106-F111 HydrophobicContact CD1-CD1 4.17Å; F106-F111 HydrophobicContact CD1-CD2 4.14Å; F106-F111 HydrophobicContact CD1-CE2 4.48Å; F106-F111 AromaticContact CD1-CG 3.96Å; F106-F111 HydrophobicContact CD1-CG 3.96Å; F106-F111 HydrophobicContact CE1-CD1 4.5Å; R108-F111 HydrophobicContact CB-CD2 4.2Å; R108-F111 HydrophobicContact CB-CE2 4.44Å; R108-F111 PolarHBondContact O-N 3.2Å; P109-F111 VanDerWaalsContact C-N 3.33Å; F111-Y116 HydrophobicContact CB-CD1 3.79Å; F111-Y116 HydrophobicContact CB-CD2 4.2Å; F111-Y116 HydrophobicContact CB-CE1 4.19Å; F111-Y116 HydrophobicContact CB-CG 3.81Å; F111-Y116 AromaticContact CD1-CD1 3.93Å; F111-Y116 HydrophobicContact CD1-CD1 3.93Å; F111-Y116 AromaticContact CD1-CE1 3.46Å; F111-Y116 HydrophobicContact CD1-CE1 3.46Å; F111-Y116 VanDerWaalsContact CD1-CE1 3.46Å; F111-Y116 HydrophobicContact CD1-CE2 4.44Å; F111-Y116 AromaticContact CD1-CZ 3.74Å; F111-Y116 HydrophobicContact CE1-CE1 4.27Å; F111-Y116 HydrophobicContact CG-CD1 4.21Å; F111-Y116 HydrophobicContact CG-CE1 4.2Å; F111-Y116 VanDerWaalsContact O-CB 3.24Å; F111-Y116 WeakPolarHBondContact O-CB 3.35Å; F111-H578 HydrophobicContact CE1-CB 3.96Å; F111-H578 HydrophobicContact CZ-CB 4.34Å; F111-Q582 HydrophobicContact CE2-CB 4.1Å; F111-Q582 HydrophobicContact CE2-CG 3.79Å; F111-Q582 HydrophobicContact CZ-CB 4.28Å; F111-Q582 HydrophobicContact CZ-CG 3.93Å
112S74.7Confident88.1Confident73 Ų7327.4 Ų27.451%0.5116%0.161SC..  trans-90.7122.5178.981.30000112.3Q110 K278Q110-S112 VanDerWaalsContact C-N 3.35Å; Q110-S112 PolarHBondContact O-N 3.06Å; S112-K278 PolarHBondContact OG-NZ 3.35Å
113G80.1Confident88.2Confident36 Ų3627.4 Ų27.437%0.37116%0.161SC..SBendtrans150.2161.5171.700000112.9A115 Y116 A117G113-A115 PolarHBondContact O-N 3.25Å; G113-Y116 PolarHBondContact O-N 3.45Å; G113-A117 PolarHBondContact O-N 3.33Å; G113-A117 VanDerWaalsContact O-N 3.15Å
114A83.2Confident88.2Confident11 Ų1128 Ų289%0.09116%0.164CC..Hα-helixtrans-53.9-47.6-17300000113.6Y116 A117 Y118 E189 F339A114-Y116 VanDerWaalsContact C-N 3.26Å; A114-Y116 PolarHBondContact O-N 2.94Å; A114-A117 WeakPolarHBondContact O-CA 3.39Å; A114-A117 WeakPolarHBondContact O-CB 3.26Å; A114-A117 PolarHBondContact O-N 3.42Å; A114-Y118 HydrophobicContact CB-CE2 4.27Å; A114-Y118 VanDerWaalsContact O-CD2 3.24Å; A114-Y118 WeakPolarHBondContact O-CD2 3.44Å; A114-Y118 PolarHBondContact O-N 3Å; A114-E189 HydrophobicContact CB-CG 4.31Å; A114-F339 HydrophobicContact CB-CB 3.89Å; A114-F339 HydrophobicContact CB-CD1 4.12Å; A114-F339 HydrophobicContact CB-CG 3.92Å
115A86.2Confident88.4Confident3 Ų326 Ų263%0.02515%0.154CC..Hα-helixtrans-59.8-30.817700000114.1G113 M119 L186 L508G113-A115 PolarHBondContact O-N 3.25Å; A115-M119 HydrophobicContact CB-CE 4.41Å; A115-M119 WeakPolarHBondContact O-CB 3.44Å; A115-M119 VanDerWaalsContact O-CE 3.26Å; A115-M119 WeakPolarHBondContact O-CE 3.4Å; A115-M119 WeakPolarHBondContact O-CG 3.29Å; A115-M119 PolarHBondContact O-N 3.15Å; A115-L186 HydrophobicContact CB-CD1 3.7Å; A115-L508 HydrophobicContact CB-CD1 4.43Å
116Y88.9Confident88.6Confident36 Ų3626 Ų2614%0.14115%0.154CC..Hα-helixtrans-75.2-32.9173.9-68.5-67.5000112.2F106 F111 G113 A114 M119 I120 L504F106-Y116 AromaticContact CD1-CD1 3.9Å; F106-Y116 HydrophobicContact CD1-CD1 3.9Å; F106-Y116 HydrophobicContact CD1-CE1 4.33Å; F106-Y116 HydrophobicContact CE1-CD1 4.05Å; F106-Y116 HydrophobicContact CE1-CE1 4.15Å; F111-Y116 HydrophobicContact CB-CD1 3.79Å; F111-Y116 HydrophobicContact CB-CD2 4.2Å; F111-Y116 HydrophobicContact CB-CE1 4.19Å; F111-Y116 HydrophobicContact CB-CG 3.81Å; F111-Y116 AromaticContact CD1-CD1 3.93Å; F111-Y116 HydrophobicContact CD1-CD1 3.93Å; F111-Y116 AromaticContact CD1-CE1 3.46Å; F111-Y116 HydrophobicContact CD1-CE1 3.46Å; F111-Y116 VanDerWaalsContact CD1-CE1 3.46Å; F111-Y116 HydrophobicContact CD1-CE2 4.44Å; F111-Y116 AromaticContact CD1-CZ 3.74Å; F111-Y116 HydrophobicContact CE1-CE1 4.27Å; F111-Y116 HydrophobicContact CG-CD1 4.21Å; F111-Y116 HydrophobicContact CG-CE1 4.2Å; F111-Y116 VanDerWaalsContact O-CB 3.24Å; F111-Y116 WeakPolarHBondContact O-CB 3.35Å; G113-Y116 PolarHBondContact O-N 3.45Å; A114-Y116 VanDerWaalsContact C-N 3.26Å; A114-Y116 PolarHBondContact O-N 2.94Å; Y116-M119 HydrophobicContact CD1-CE 3.38Å; Y116-M119 HydrophobicContact CE1-CE 3.68Å; Y116-M119 HydrophobicContact CG-CE 4.07Å; Y116-M119 PolarHBondContact O-N 3.25Å; Y116-I120 WeakPolarHBondContact O-CD1 3.39Å; Y116-I120 VanDerWaalsContact O-CG1 3.29Å; Y116-I120 WeakPolarHBondContact O-CG1 3.3Å; Y116-I120 PolarHBondContact O-N 2.97Å; Y116-L504 HydrophobicContact CE1-CD1 4.37Å; Y116-L504 HydrophobicContact CE2-CD1 4.01Å; Y116-L504 WeakPolarHBondContact OH-CD1 3.42Å
117A90.2Very high88.8Confident8 Ų826.1 Ų26.17%0.06616%0.155CC..Hα-helixtrans-67-40.9171.300000111.8I18 G113 A114 I120 A121 F339 L343I18-A117 HydrophobicContact CD1-CB 4.26Å; G113-A117 PolarHBondContact O-N 3.33Å; G113-A117 VanDerWaalsContact O-N 3.15Å; A114-A117 WeakPolarHBondContact O-CA 3.39Å; A114-A117 WeakPolarHBondContact O-CB 3.26Å; A114-A117 PolarHBondContact O-N 3.42Å; A117-I120 PolarHBondContact O-N 3.42Å; A117-A121 WeakPolarHBondContact O-CB 3.29Å; A117-A121 PolarHBondContact O-N 2.94Å; A117-F339 HydrophobicContact CB-CD2 3.84Å; A117-F339 HydrophobicContact CB-CE2 3.42Å; A117-F339 VanDerWaalsContact CB-CE2 3.42Å; A117-F339 HydrophobicContact CB-CZ 4.34Å; A117-L343 HydrophobicContact CB-CD1 4.09Å
118Y91.7Very high89.1Confident7 Ų726.5 Ų26.53%0.02716%0.156CC..Hα-helixtrans-65.7-39.4172.2-65.9-57.4000112.4A114 I120 A121 M122 F182 V185 L186 E189 F339 S342 L343A114-Y118 HydrophobicContact CB-CE2 4.27Å; A114-Y118 VanDerWaalsContact O-CD2 3.24Å; A114-Y118 WeakPolarHBondContact O-CD2 3.44Å; A114-Y118 PolarHBondContact O-N 3Å; Y118-I120 VanDerWaalsContact C-N 3.34Å; Y118-I120 PolarHBondContact O-N 2.93Å; Y118-A121 PolarHBondContact O-N 3.03Å; Y118-A121 VanDerWaalsContact O-N 3.17Å; Y118-M122 WeakPolarHBondContact O-CG 3.29Å; Y118-M122 PolarHBondContact O-N 3.43Å; Y118-F182 HydrophobicContact CD1-CD1 4.35Å; Y118-V185 HydrophobicContact CE1-CG1 3.96Å; Y118-V185 HydrophobicContact CE2-CG1 4.12Å; Y118-V185 WeakPolarHBondContact OH-CG1 3.23Å; Y118-L186 HydrophobicContact CD2-CD1 4.48Å; Y118-E189 HydrophobicContact CE2-CB 4.38Å; Y118-E189 HydrophobicContact CE2-CG 4.32Å; Y118-F339 HydrophobicContact CE2-CB 4.27Å; Y118-S342 WeakPolarHBondContact OH-CB 3.42Å; Y118-S342 PolarHBondContact OH-OG 2.88Å; Y118-L343 HydrophobicContact CD1-CD2 3.49Å; Y118-L343 VanDerWaalsContact CD1-CD2 3.49Å; Y118-L343 HydrophobicContact CD1-CG 4.14Å; Y118-L343 HydrophobicContact CE1-CD2 3.66Å; Y118-L343 HydrophobicContact CE1-CG 3.86Å
119M91.6Very high89.4Confident0 Ų023.8 Ų23.80%015%0.146CC..Hα-helixtrans-63.3-35.5172.9-77.7-178.4-80.600113.4F106 A115 Y116 M122 S123 L186 L508 Y572F106-M119 HydrophobicContact CD2-CB 4.35Å; F106-M119 HydrophobicContact CE2-CB 4.17Å; F106-M119 HydrophobicContact CZ-SD 4.15Å; A115-M119 HydrophobicContact CB-CE 4.41Å; A115-M119 WeakPolarHBondContact O-CB 3.44Å; A115-M119 VanDerWaalsContact O-CE 3.26Å; A115-M119 WeakPolarHBondContact O-CE 3.4Å; A115-M119 WeakPolarHBondContact O-CG 3.29Å; A115-M119 PolarHBondContact O-N 3.15Å; Y116-M119 HydrophobicContact CD1-CE 3.38Å; Y116-M119 HydrophobicContact CE1-CE 3.68Å; Y116-M119 HydrophobicContact CG-CE 4.07Å; Y116-M119 PolarHBondContact O-N 3.25Å; M119-M122 HydrophobicContact CB-CE 4.43Å; M119-M122 HydrophobicContact CG-CE 3.87Å; M119-S123 PolarHBondContact O-N 3.16Å; M119-S123 VanDerWaalsContact O-N 3.1Å; M119-L186 HydrophobicContact CG-CD2 4.46Å; M119-L508 HydrophobicContact CE-CD2 4.13Å; M119-L508 HydrophobicContact CG-CD2 3.97Å; M119-L508 HydrophobicContact SD-CD2 3.53Å; M119-L508 VanDerWaalsContact SD-CD2 3.53Å; M119-Y572 HydrophobicContact CG-CE1 4.33Å; M119-Y572 WeakPolarHBondContact CG-OH 3.47Å; M119-Y572 HydrophobicContact SD-CD1 4.45Å; M119-Y572 HydrophobicContact SD-CE1 3.49Å; M119-Y572 WeakPolarHBondContact SD-CE1 3.41Å
120I93.9Very high90.2Very high3 Ų318.5 Ų18.52%0.01511%0.111CC..Hα-helixtrans-63.6-47.2170.2-69.8161.4000110.2I18 V103 F106 Y116 A117 Y118 S123 L124I18-I120 HydrophobicContact CG2-CG2 4.19Å; V103-I120 HydrophobicContact CG1-CG2 4.43Å; F106-I120 HydrophobicContact CB-CD1 3.88Å; F106-I120 HydrophobicContact CB-CG1 3.45Å; F106-I120 VanDerWaalsContact CB-CG1 3.45Å; F106-I120 HydrophobicContact CG-CG1 4.43Å; Y116-I120 WeakPolarHBondContact O-CD1 3.39Å; Y116-I120 VanDerWaalsContact O-CG1 3.29Å; Y116-I120 WeakPolarHBondContact O-CG1 3.3Å; Y116-I120 PolarHBondContact O-N 2.97Å; A117-I120 PolarHBondContact O-N 3.42Å; Y118-I120 VanDerWaalsContact C-N 3.34Å; Y118-I120 PolarHBondContact O-N 2.93Å; I120-S123 PolarHBondContact O-N 3.48Å; I120-L124 HydrophobicContact CG2-CD1 3.68Å; I120-L124 HydrophobicContact CG2-CG 4.44Å; I120-L124 WeakPolarHBondContact O-CD1 3.31Å; I120-L124 VanDerWaalsContact O-CG 3.23Å; I120-L124 WeakPolarHBondContact O-CG 3.24Å; I120-L124 PolarHBondContact O-N 3.47Å
121A94.3Very high90.9Very high11 Ų1115.4 Ų15.49%0.09110%0.098CC..Hα-helixtrans-63.1-42.3-179.200000113.3A117 Y118 L124 A125 F182 L343A117-A121 WeakPolarHBondContact O-CB 3.29Å; A117-A121 PolarHBondContact O-N 2.94Å; Y118-A121 PolarHBondContact O-N 3.03Å; Y118-A121 VanDerWaalsContact O-N 3.17Å; A121-L124 PolarHBondContact O-N 3.15Å; A121-A125 PolarHBondContact O-N 3.47Å; A121-F182 HydrophobicContact CB-CD1 4.03Å; A121-F182 HydrophobicContact CB-CD2 3.84Å; A121-F182 HydrophobicContact CB-CE1 3.97Å; A121-F182 HydrophobicContact CB-CE2 3.77Å; A121-F182 HydrophobicContact CB-CG 3.99Å; A121-F182 HydrophobicContact CB-CZ 3.86Å; A121-L343 HydrophobicContact CB-CD2 3.55Å
122M93.6Very high91.3Very high3 Ų315.3 Ų15.32%0.01510%0.099CC..Hα-helixtrans-60.8-54172.6-67.9-177.2-42.300110.9Y118 M119 L124 A125 D126 F182 T183 L186Y118-M122 WeakPolarHBondContact O-CG 3.29Å; Y118-M122 PolarHBondContact O-N 3.43Å; M119-M122 HydrophobicContact CB-CE 4.43Å; M119-M122 HydrophobicContact CG-CE 3.87Å; M122-L124 PolarHBondContact O-N 3.12Å; M122-L124 VanDerWaalsContact O-N 3.09Å; M122-A125 PolarHBondContact O-N 3.28Å; M122-D126 WeakPolarHBondContact O-CB 3.48Å; M122-D126 PolarHBondContact O-N 3.17Å; M122-F182 HydrophobicContact CG-CB 3.52Å; M122-F182 HydrophobicContact CG-CG 4.49Å; M122-F182 HydrophobicContact SD-CB 4.47Å; M122-T183 PolarHBondContact SD-OG1 3.1Å; M122-T183 VanDerWaalsContact SD-OG1 3.35Å; M122-L186 HydrophobicContact CE-CD2 3.33Å; M122-L186 HydrophobicContact SD-CD2 3.74Å
123S95.5Very high92.1Very high0 Ų012 Ų120%08%0.075CC..Hα-helixtrans-63.9-18.3179-740000114.2N99 N102 M119 I120 A127N99-S123 WeakPolarHBondContact CB-O 3.46Å; N99-S123 WeakPolarHBondContact OD1-CB 3.46Å; N99-S123 PolarHBondContact OD1-OG 3.42Å; N102-S123 WeakPolarHBondContact CB-OG 3.5Å; N102-S123 PolarHBondContact ND2-OG 3.18Å; M119-S123 PolarHBondContact O-N 3.16Å; M119-S123 VanDerWaalsContact O-N 3.1Å; I120-S123 PolarHBondContact O-N 3.48Å; S123-A127 VanDerWaalsContact O-CB 3.24Å; S123-A127 WeakPolarHBondContact O-CB 3.36Å; S123-A127 PolarHBondContact O-N 3.08Å
124L95.8Very high92.7Very high27 Ų2712.9 Ų12.914%0.1417%0.07CC..Hα-helixtrans-77.1-46.6168.3-71.3158.3000111.7I22 V103 I120 A121 M122 A127 I128I22-L124 HydrophobicContact CD1-CD1 3.89Å; I22-L124 HydrophobicContact CD1-CD2 4.3Å; I22-L124 HydrophobicContact CG1-CD1 3.42Å; I22-L124 VanDerWaalsContact CG1-CD1 3.42Å; I22-L124 HydrophobicContact CG1-CD2 3.9Å; I22-L124 HydrophobicContact CG1-CG 4.32Å; I22-L124 HydrophobicContact CG2-CD2 4.31Å; V103-L124 HydrophobicContact CG1-CD2 4.28Å; V103-L124 HydrophobicContact CG2-CD2 3.93Å; V103-L124 HydrophobicContact CG2-CG 3.82Å; I120-L124 HydrophobicContact CG2-CD1 3.68Å; I120-L124 HydrophobicContact CG2-CG 4.44Å; I120-L124 WeakPolarHBondContact O-CD1 3.31Å; I120-L124 VanDerWaalsContact O-CG 3.23Å; I120-L124 WeakPolarHBondContact O-CG 3.24Å; I120-L124 PolarHBondContact O-N 3.47Å; A121-L124 PolarHBondContact O-N 3.15Å; M122-L124 PolarHBondContact O-N 3.12Å; M122-L124 VanDerWaalsContact O-N 3.09Å; L124-A127 PolarHBondContact O-N 3.05Å; L124-I128 WeakPolarHBondContact O-CD1 3.43Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.22Å
125A95.4Very high92.9Very high6 Ų613.6 Ų13.65%0.057%0.074CC..Hα-helixtrans-61.4-47.2176.400000111.6A121 M122 A127 I128 T129 A178 F182A121-A125 PolarHBondContact O-N 3.47Å; M122-A125 PolarHBondContact O-N 3.28Å; A125-A127 VanDerWaalsContact C-N 3.31Å; A125-A127 PolarHBondContact O-N 3.25Å; A125-I128 PolarHBondContact O-N 3.1Å; A125-T129 PolarHBondContact O-N 3.04Å; A125-T129 PolarHBondContact O-OG1 3.14Å; A125-A178 HydrophobicContact CB-CB 4.28Å; A125-F182 HydrophobicContact CB-CD2 4.37Å; A125-F182 HydrophobicContact CB-CE2 4.37Å
126D95.6Very high92.8Very high1 Ų113.5 Ų13.51%0.0057%0.073CC..Hα-helixtrans-55.9-44.2173.7-62-5.2000110.9M122 T129 L130 S179 Y565 N568M122-D126 WeakPolarHBondContact O-CB 3.48Å; M122-D126 PolarHBondContact O-N 3.17Å; D126-T129 PolarHBondContact O-N 3.28Å; D126-L130 WeakPolarHBondContact O-CB 3.32Å; D126-L130 WeakPolarHBondContact O-CD1 3.37Å; D126-L130 WeakPolarHBondContact O-CG 3.41Å; D126-L130 PolarHBondContact O-N 3.47Å; D126-S179 PolarHBondContact OD1-OG 2.85Å; D126-Y565 HydrophobicContact CB-CD1 4.27Å; D126-Y565 WeakPolarHBondContact OD1-CD1 3.37Å; D126-N568 PolarHBondContact OD2-ND2 3.42Å
127A96.4Very high92.5Very high5 Ų511.8 Ų11.84%0.0417%0.066CC..Hα-helixtrans-67-38.3178.300000112.9F96 N99 I100 S123 L124 A125 I131F96-A127 HydrophobicContact CD2-CB 4.02Å; F96-A127 WeakPolarHBondContact CD2-O 3.46Å; F96-A127 HydrophobicContact CE2-CB 4.35Å; N99-A127 HydrophobicContact CB-CB 4.02Å; I100-A127 HydrophobicContact CD1-CB 4.4Å; S123-A127 VanDerWaalsContact O-CB 3.24Å; S123-A127 WeakPolarHBondContact O-CB 3.36Å; S123-A127 PolarHBondContact O-N 3.08Å; L124-A127 PolarHBondContact O-N 3.05Å; A125-A127 VanDerWaalsContact C-N 3.31Å; A125-A127 PolarHBondContact O-N 3.25Å; A127-I131 WeakPolarHBondContact O-CG2 3.32Å; A127-I131 PolarHBondContact O-N 3.16Å
128I95.5Very high92.1Very high24 Ų2413.7 Ų13.712%0.1238%0.075CC..Hα-helixtrans-66-46.1175.5-66.6159.8000110I25 L124 A125 L130 I131 S132 I171I25-I128 HydrophobicContact CG2-CD1 3.4Å; L124-I128 WeakPolarHBondContact O-CD1 3.43Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.22Å; A125-I128 PolarHBondContact O-N 3.1Å; I128-L130 PolarHBondContact O-N 3.46Å; I128-I131 WeakPolarHBondContact O-CG2 3.46Å; I128-I131 PolarHBondContact O-N 3Å; I128-S132 WeakPolarHBondContact O-CB 3.36Å; I128-S132 PolarHBondContact O-N 3.25Å; I128-S132 PolarHBondContact O-OG 3.48Å; I128-I171 HydrophobicContact CG2-CG2 3.88Å
129T93.9Very high91.4Very high0 Ų013.4 Ų13.40%07%0.074CC..Hα-helixtrans-54.2-54.5174.8-50.50000110.2A125 D126 I131 S132 Y133 S175 E176 Y565A125-T129 PolarHBondContact O-N 3.04Å; A125-T129 PolarHBondContact O-OG1 3.14Å; D126-T129 PolarHBondContact O-N 3.28Å; T129-I131 PolarHBondContact O-N 3.34Å; T129-S132 PolarHBondContact O-N 3.42Å; T129-Y133 HydrophobicContact CG2-CD2 3.83Å; T129-Y133 HydrophobicContact CG2-CE2 3.92Å; T129-Y133 WeakPolarHBondContact O-CD2 3.43Å; T129-Y133 PolarHBondContact O-N 2.86Å; T129-S175 WeakPolarHBondContact CA-OG 3.49Å; T129-S175 PolarHBondContact N-OG 3.02Å; T129-S175 WeakPolarHBondContact OG1-CB 3.47Å; T129-S175 PolarHBondContact OG1-OG 3.08Å; T129-S175 VanDerWaalsContact OG1-OG 3.14Å; T129-E176 HydrophobicContact CG2-CG 3.63Å; T129-Y565 HydrophobicContact CG2-CD2 4.03Å; T129-Y565 HydrophobicContact CG2-CE2 3.73Å
130L95Very high90.7Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-65-39-175.3-70163000113.1C92 D126 I128 M134 L562C92-L130 VanDerWaalsContact CB-O 3.26Å; C92-L130 WeakPolarHBondContact CB-O 3.46Å; C92-L130 PolarHBondContact SG-O 3.31Å; C92-L130 VanDerWaalsContact SG-O 3.34Å; D126-L130 WeakPolarHBondContact O-CB 3.32Å; D126-L130 WeakPolarHBondContact O-CD1 3.37Å; D126-L130 WeakPolarHBondContact O-CG 3.41Å; D126-L130 PolarHBondContact O-N 3.47Å; I128-L130 PolarHBondContact O-N 3.46Å; L130-M134 PolarHBondContact O-N 3.2Å; L130-L562 HydrophobicContact CD2-CD2 4.33Å
131I94.8Very high89.7Confident59 Ų5913.5 Ų13.530%0.3038%0.075SC..Hα-helixtrans-71.6-33.3176.1-164.361.4000112.1F96 A127 I128 T129 M134F96-I131 HydrophobicContact CD2-CB 3.81Å; F96-I131 HydrophobicContact CD2-CG1 4.44Å; F96-I131 HydrophobicContact CD2-CG2 4.44Å; F96-I131 HydrophobicContact CE2-CB 4.02Å; F96-I131 HydrophobicContact CE2-CG1 4.36Å; F96-I131 HydrophobicContact CE2-CG2 4.34Å; F96-I131 HydrophobicContact CG-CB 4.44Å; F96-I131 HydrophobicContact CG-CD1 4.45Å; A127-I131 WeakPolarHBondContact O-CG2 3.32Å; A127-I131 PolarHBondContact O-N 3.16Å; I128-I131 WeakPolarHBondContact O-CG2 3.46Å; I128-I131 PolarHBondContact O-N 3Å; T129-I131 PolarHBondContact O-N 3.34Å; I131-M134 HydrophobicContact CD1-CE 3.89Å; I131-M134 HydrophobicContact CD1-SD 3.97Å; I131-M134 WeakPolarHBondContact O-CB 3.47Å; I131-M134 PolarHBondContact O-N 3Å
132S91.2Very high88.4Confident8 Ų814.1 Ų14.16%0.0568%0.082CC..Hα-helixtrans-66.7-42.7174.7-710000112.2I128 T129 M134 P135 Y163I128-S132 WeakPolarHBondContact O-CB 3.36Å; I128-S132 PolarHBondContact O-N 3.25Å; I128-S132 PolarHBondContact O-OG 3.48Å; T129-S132 PolarHBondContact O-N 3.42Å; S132-M134 VanDerWaalsContact C-N 3.3Å; S132-M134 PolarHBondContact O-N 2.85Å; S132-P135 VanDerWaalsContact O-CD 3.26Å; S132-P135 WeakPolarHBondContact O-CD 3.34Å; S132-Y163 WeakPolarHBondContact CA-OH 3.23Å; S132-Y163 PolarHBondContact O-OH 3.31Å
133Y91.5Very high86.9Confident4 Ų423.9 Ų23.92%0.01612%0.124CC..Hα-helixtrans-76.1-13.1177.6-80.9-82000114Q88 T129 S136 L168 H558 L562Q88-Y133 PolarHBondContact NE2-O 2.69Å; T129-Y133 HydrophobicContact CG2-CD2 3.83Å; T129-Y133 HydrophobicContact CG2-CE2 3.92Å; T129-Y133 WeakPolarHBondContact O-CD2 3.43Å; T129-Y133 PolarHBondContact O-N 2.86Å; Y133-S136 PolarHBondContact O-N 3.34Å; Y133-S136 PolarHBondContact O-OG 2.91Å; Y133-L168 HydrophobicContact CD1-CD1 3.96Å; Y133-L168 HydrophobicContact CD1-CD2 4.23Å; Y133-L168 HydrophobicContact CD2-CD1 3.91Å; Y133-L168 HydrophobicContact CE1-CD1 4.04Å; Y133-L168 HydrophobicContact CE2-CD1 3.97Å; Y133-L168 HydrophobicContact CG-CD1 3.9Å; Y133-H558 AromaticContact CD1-CE1 3.75Å; Y133-H558 AromaticContact CD1-NE2 3.7Å; Y133-H558 AromaticContact CE1-CE1 3.75Å; Y133-H558 AromaticContact CE1-NE2 3.19Å; Y133-H558 WeakPolarHBondContact CE1-NE2 3.43Å; Y133-H558 AromaticContact CZ-NE2 3.94Å; Y133-L562 HydrophobicContact CD2-CD2 3.94Å; Y133-L562 HydrophobicContact CG-CD2 4Å
134M92.3Very high85.5Confident55 Ų5528.7 Ų28.727%0.27114%0.143SC..THydrogen-bonded Turntrans-58.4-43.9-176.5-166.5-17372.300114.4C92 F93 L130 I131 S132C92-M134 HydrophobicContact CB-CB 3.83Å; C92-M134 HydrophobicContact CB-CG 4.01Å; F93-M134 HydrophobicContact CB-SD 4.16Å; F93-M134 HydrophobicContact CD2-SD 4.13Å; L130-M134 PolarHBondContact O-N 3.2Å; I131-M134 HydrophobicContact CD1-CE 3.89Å; I131-M134 HydrophobicContact CD1-SD 3.97Å; I131-M134 WeakPolarHBondContact O-CB 3.47Å; I131-M134 PolarHBondContact O-N 3Å; S132-M134 VanDerWaalsContact C-N 3.3Å; S132-M134 PolarHBondContact O-N 2.85Å
135P86.8Confident84.2Confident26 Ų2631.4 Ų31.417%0.16915%0.154CC..THydrogen-bonded Turntrans-81.6-23.1-176.2-14.132.4000114.1S132 G137 L138 L160 Y163S132-P135 VanDerWaalsContact O-CD 3.26Å; S132-P135 WeakPolarHBondContact O-CD 3.34Å; P135-G137 VanDerWaalsContact C-N 3.26Å; P135-G137 PolarHBondContact O-N 3.17Å; P135-G137 VanDerWaalsContact O-N 3.17Å; P135-L138 WeakPolarHBondContact O-CB 3.44Å; P135-L138 PolarHBondContact O-N 2.91Å; P135-L160 HydrophobicContact CB-CD2 3.76Å; P135-Y163 HydrophobicContact CB-CD1 4.5Å; P135-Y163 HydrophobicContact CB-CE1 4.17Å; P135-Y163 HydrophobicContact CG-CE1 3.84Å
136S84.8Confident82.7Confident1 Ų136.6 Ų36.61%0.00719%0.185CC..G310 helixtrans-69-23.1-162.174.70000114.4Q88 Y133 L138 V139 N164Q88-S136 PolarHBondContact NE2-OG 3.4Å; Y133-S136 PolarHBondContact O-N 3.34Å; Y133-S136 PolarHBondContact O-OG 2.91Å; S136-L138 PolarHBondContact O-N 3.17Å; S136-V139 PolarHBondContact O-N 2.98Å; S136-N164 WeakPolarHBondContact CA-OD1 3.36Å; S136-N164 WeakPolarHBondContact CB-OD1 3.45Å
137G81.9Confident81.6Confident0 Ų043.8 Ų43.80%021%0.213CC..G310 helixtrans-59.1-32.6172.600000113.8Y84 P135 V139 R140Y84-G137 WeakPolarHBondContact O-CA 3.41Å; P135-G137 VanDerWaalsContact C-N 3.26Å; P135-G137 PolarHBondContact O-N 3.17Å; P135-G137 VanDerWaalsContact O-N 3.17Å; G137-V139 PolarHBondContact O-N 3.27Å; G137-R140 PolarHBondContact O-N 3.27Å; G137-R140 VanDerWaalsContact O-N 3.16Å
138L82.8Confident80.4Confident48 Ų4843.8 Ų43.825%0.25121%0.213SC..G310 helixtrans-68.5-21.1-177.4-59.8173000112.8F85 P135 S136 R140 C141 F156 L160F85-L138 HydrophobicContact CD2-CD2 4.23Å; F85-L138 HydrophobicContact CE2-CD2 3.76Å; F85-L138 HydrophobicContact CZ-CD2 4.28Å; P135-L138 WeakPolarHBondContact O-CB 3.44Å; P135-L138 PolarHBondContact O-N 2.91Å; S136-L138 PolarHBondContact O-N 3.17Å; L138-R140 VanDerWaalsContact C-N 3.26Å; L138-R140 PolarHBondContact O-N 3.13Å; L138-C141 VanDerWaalsContact O-CB 3.22Å; L138-C141 WeakPolarHBondContact O-CB 3.47Å; L138-C141 PolarHBondContact O-N 3.29Å; L138-F156 HydrophobicContact CD1-CE1 4.04Å; L138-F156 HydrophobicContact CD1-CZ 4.27Å; L138-L160 HydrophobicContact CB-CD1 3.63Å; L138-L160 HydrophobicContact CD1-CD1 4.46Å
139V77.6Confident79.1Confident0 Ų049 Ų490%024%0.237CC..G310 helixtrans-64.1-33.8174.8-174.90000111.3S136 G137 C141 R157 L160 L161 N164 I962S136-V139 PolarHBondContact O-N 2.98Å; G137-V139 PolarHBondContact O-N 3.27Å; V139-C141 PolarHBondContact O-N 3.41Å; V139-R157 PolarHBondContact O-NE 3.48Å; V139-R157 VanDerWaalsContact O-NE 3.15Å; V139-R157 PolarHBondContact O-NH2 3.4Å; V139-L160 HydrophobicContact CG2-CB 3.41Å; V139-L160 VanDerWaalsContact CG2-CB 3.41Å; V139-L160 HydrophobicContact CG2-CD1 4.24Å; V139-L160 HydrophobicContact CG2-CG 4.44Å; V139-L161 HydrophobicContact CG1-CD2 3.58Å; V139-L161 HydrophobicContact CG1-CG 4.02Å; V139-N164 WeakPolarHBondContact CG2-ND2 3.38Å; V139-I962 HydrophobicContact CB-CD1 4.16Å; V139-I962 HydrophobicContact CG1-CB 4.05Å; V139-I962 HydrophobicContact CG1-CD1 3.69Å; V139-I962 HydrophobicContact CG1-CG1 4.49Å; V139-I962 HydrophobicContact CG1-CG2 3.86Å; V139-I962 WeakPolarHBondContact O-CG2 3.37Å
140R76.2Confident78.3Confident2 Ų253.2 Ų53.21%0.00826%0.256CS..G310 helixtrans-74.26.7177.1-68.8-178.8168.9107.42.8113.8I76 F81 Y84 G137 L138 G142 D958 D960 I962I76-R140 HydrophobicContact CD1-CG 4.47Å; F81-R140 VanDerWaalsContact CD2-O 3.25Å; F81-R140 WeakPolarHBondContact CD2-O 3.06Å; F81-R140 VanDerWaalsContact CE2-O 3.3Å; F81-R140 WeakPolarHBondContact CE2-O 3.36Å; Y84-R140 VanDerWaalsContact CD1-NH1 3.33Å; Y84-R140 VanDerWaalsContact CD2-CZ 3.47Å; Y84-R140 VanDerWaalsContact CD2-NH1 3.31Å; Y84-R140 VanDerWaalsContact CE2-CZ 3.46Å; Y84-R140 VanDerWaalsContact CG-NH1 3.27Å; G137-R140 PolarHBondContact O-N 3.27Å; G137-R140 VanDerWaalsContact O-N 3.16Å; L138-R140 VanDerWaalsContact C-N 3.26Å; L138-R140 PolarHBondContact O-N 3.13Å; R140-G142 VanDerWaalsContact C-N 3.32Å; R140-G142 PolarHBondContact O-N 3.46Å; R140-D958 PolarHBondContact NH2-O 3.46Å; R140-D960 IonicContact CZ-OD2 3.36Å; R140-D960 IonicContact NE-OD2 2.72Å; R140-D960 IonicContact NH2-OD2 2.75Å; R140-D960 PolarHBondContact NH2-OD2 3.36Å; R140-I962 HydrophobicContact CG-CD1 3.51Å; R140-I962 HydrophobicContact CG-CG1 4.41Å
141C73.1Confident77.4Confident3 Ų356.6 Ų56.62%0.0228%0.278CS..  trans-62.488.5168.2-157.90000110.5F85 L138 V139 C148 F153 R157F85-C141 HydrophobicContact CD2-CB 4.31Å; F85-C141 HydrophobicContact CE2-CB 3.79Å; L138-C141 VanDerWaalsContact O-CB 3.22Å; L138-C141 WeakPolarHBondContact O-CB 3.47Å; L138-C141 PolarHBondContact O-N 3.29Å; V139-C141 PolarHBondContact O-N 3.41Å; C141-C148 WeakPolarHBondContact CA-SG 3.28Å; C141-C148 HydrophobicContact CB-CB 3.95Å; C141-C148 WeakPolarHBondContact CB-SG 3.39Å; C141-C148 WeakPolarHBondContact O-CB 3.38Å; C141-C148 WeakPolarHBondContact SG-CB 3.38Å; C141-C148 CovalentContact SG-SG 2.04Å; C141-C148 PolarHBondContact SG-SG 3.01Å; C141-F153 HydrophobicContact CB-CE1 3.6Å; C141-F153 HydrophobicContact CB-CZ 4.19Å; C141-F153 WeakPolarHBondContact SG-CE1 3.36Å; C141-R157 PolarHBondContact O-NE 3.04Å; C141-R157 VanDerWaalsContact O-NE 3.12Å; C141-R157 PolarHBondContact O-NH1 3.29Å
142G66.9Low76.7Confident24 Ų2456.8 Ų56.825%0.24729%0.289CS..  trans-104.6-150.8-175.900000113.7R140 Y144 C148R140-G142 VanDerWaalsContact C-N 3.32Å; R140-G142 PolarHBondContact O-N 3.46Å; G142-Y144 PolarHBondContact O-N 2.76Å; G142-C148 PolarHBondContact O-SG 3.43Å; G142-C148 VanDerWaalsContact O-SG 3.39Å
143K62.4Low76.1Confident208 Ų20857.8 Ų57.890%0.90429%0.292SS*.THydrogen-bonded Turntrans-61-2.2-174.6-59.9-177.7179.9-179.50115.6
144Y64.8Low75.4Confident102 Ų10260.4 Ų60.440%0.430%0.302SS..THydrogen-bonded Turntrans-77.3-21.6-178.8-64.1-63.6000114.6I76 L78 F81 G142I76-Y144 PolarHBondContact O-OH 3.08Å; I76-Y144 VanDerWaalsContact O-OH 3.08Å; L78-Y144 HydrophobicContact CD1-CE1 4.48Å; L78-Y144 PolarHBondContact N-OH 3.21Å; F81-Y144 HydrophobicContact CB-CD2 4.09Å; F81-Y144 HydrophobicContact CB-CE2 3.84Å; F81-Y144 AromaticContact CD1-CD2 3.62Å; F81-Y144 HydrophobicContact CD1-CD2 3.62Å; F81-Y144 HydrophobicContact CD1-CE2 4.18Å; F81-Y144 HydrophobicContact CD1-CG 4.12Å; F81-Y144 HydrophobicContact CD2-CD2 4.02Å; F81-Y144 HydrophobicContact CE1-CD2 4.06Å; F81-Y144 HydrophobicContact CE1-CG 4.29Å; F81-Y144 HydrophobicContact CE2-CD2 4.43Å; F81-Y144 AromaticContact CG-CD2 3.6Å; F81-Y144 HydrophobicContact CG-CD2 3.6Å; F81-Y144 AromaticContact CG-CE2 3.9Å; F81-Y144 HydrophobicContact CG-CE2 3.9Å; F81-Y144 HydrophobicContact CZ-CD2 4.46Å; G142-Y144 PolarHBondContact O-N 2.76Å
145F68.6Low74.8Confident84 Ų8464.1 Ų64.137%0.36831%0.313SS..  trans-134.8131.1177.3-64.3-64.5000111.9F81 F85 Y86 Y147 C148F81-F145 HydrophobicContact CE1-CD2 4.27Å; F81-F145 AromaticContact CE1-CE2 3.7Å; F81-F145 HydrophobicContact CE1-CE2 3.7Å; F81-F145 AromaticContact CZ-CD2 3.9Å; F81-F145 HydrophobicContact CZ-CD2 3.9Å; F81-F145 AromaticContact CZ-CE2 3.66Å; F81-F145 HydrophobicContact CZ-CE2 3.66Å; F85-F145 HydrophobicContact CE1-CE2 4.45Å; Y86-F145 WeakPolarHBondContact OH-CE2 3.21Å; Y86-F145 WeakPolarHBondContact OH-CZ 3.3Å; F145-Y147 PolarHBondContact O-N 3.18Å; F145-C148 WeakPolarHBondContact O-CB 3.42Å; F145-C148 PolarHBondContact O-N 2.94Å
146V65.7Low74.7Confident115 Ų11567 Ų6770%0.69732%0.323SS*.G310 helixtrans-56.4-34.1172.7-175.40000111.1C148 Q149V146-C148 PolarHBondContact O-N 3.15Å; V146-Q149 VanDerWaalsContact O-CB 3.31Å; V146-Q149 WeakPolarHBondContact O-CB 3.43Å; V146-Q149 PolarHBondContact O-N 3.08Å
147Y71Confident74.5Confident151 Ų15168 Ų6859%0.59233%0.327SS*.G310 helixtrans-62.1-26.9176.2-167.5-96.1000113.9F145 Q149 H150 F153F145-Y147 PolarHBondContact O-N 3.18Å; Y147-Q149 PolarHBondContact O-N 3.49Å; Y147-Q149 VanDerWaalsContact O-N 3.15Å; Y147-H150 HydrophobicContact CD2-CB 4.41Å; Y147-H150 HydrophobicContact CE2-CB 4.46Å; Y147-H150 WeakPolarHBondContact O-CB 3.42Å; Y147-H150 PolarHBondContact O-N 3.37Å; Y147-H150 VanDerWaalsContact O-N 3.11Å; Y147-F153 HydrophobicContact CD1-CD2 4.31Å; Y147-F153 HydrophobicContact CD1-CG 4.45Å; Y147-F153 HydrophobicContact CE1-CB 4.31Å; Y147-F153 AromaticContact CE1-CD2 3.76Å; Y147-F153 HydrophobicContact CE1-CD2 3.76Å; Y147-F153 HydrophobicContact CE1-CE2 4.45Å; Y147-F153 HydrophobicContact CE1-CG 4.19Å
148C71.6Confident74.5Confident5 Ų569.2 Ų69.23%0.03433%0.333CS..G310 helixtrans-64.7-15.7173.3-56.80000112.8C141 G142 F145 V146C141-C148 WeakPolarHBondContact CA-SG 3.28Å; C141-C148 HydrophobicContact CB-CB 3.95Å; C141-C148 WeakPolarHBondContact CB-SG 3.39Å; C141-C148 WeakPolarHBondContact O-CB 3.38Å; C141-C148 WeakPolarHBondContact SG-CB 3.38Å; C141-C148 CovalentContact SG-SG 2.04Å; C141-C148 PolarHBondContact SG-SG 3.01Å; G142-C148 PolarHBondContact O-SG 3.43Å; G142-C148 VanDerWaalsContact O-SG 3.39Å; F145-C148 WeakPolarHBondContact O-CB 3.42Å; F145-C148 PolarHBondContact O-N 2.94Å; V146-C148 PolarHBondContact O-N 3.15Å
149Q68Low74.7Confident135 Ų13575.3 Ų75.363%0.63135%0.353SS*.G310 helixtrans-92.9-11.6177.1-56.1177.2-46.200113V146 Y147V146-Q149 VanDerWaalsContact O-CB 3.31Å; V146-Q149 WeakPolarHBondContact O-CB 3.43Å; V146-Q149 PolarHBondContact O-N 3.08Å; Y147-Q149 PolarHBondContact O-N 3.49Å; Y147-Q149 VanDerWaalsContact O-N 3.15Å
150H77.9Confident75.1Confident88 Ų8875.8 Ų75.841%0.40736%0.356SS..SBendtrans-59.1132.2-179.6-174-93.7000110.6Y147 A152 F153 R154Y147-H150 HydrophobicContact CD2-CB 4.41Å; Y147-H150 HydrophobicContact CE2-CB 4.46Å; Y147-H150 WeakPolarHBondContact O-CB 3.42Å; Y147-H150 PolarHBondContact O-N 3.37Å; Y147-H150 VanDerWaalsContact O-N 3.11Å; H150-A152 VanDerWaalsContact C-N 3.32Å; H150-A152 PolarHBondContact O-N 3.06Å; H150-F153 HydrophobicContact CB-CB 4.4Å; H150-F153 CarbonylContact O-C 3.44Å; H150-F153 WeakPolarHBondContact O-CA 3.49Å; H150-F153 PolarHBondContact O-N 3.33Å; H150-R154 PolarHBondContact O-N 3.3Å
151P75.8Confident75.3Confident71 Ų7175.8 Ų75.846%0.46136%0.356SS..Hα-helixtrans-58.3-39-167.619.1-32.2000113.7F153 R154 R155P151-F153 VanDerWaalsContact C-N 3.34Å; P151-F153 PolarHBondContact O-N 3.32Å; P151-R154 WeakPolarHBondContact O-CB 3.49Å; P151-R154 PolarHBondContact O-N 3.42Å; P151-R155 WeakPolarHBondContact O-CG 3.5Å; P151-R155 PolarHBondContact O-N 3.07Å
152A79.3Confident76Confident63 Ų6379.6 Ų79.652%0.52137%0.371SS..Hα-helixtrans-63.2-38.2174.400000112.8H150 F156H150-A152 VanDerWaalsContact C-N 3.32Å; H150-A152 PolarHBondContact O-N 3.06Å; A152-F156 WeakPolarHBondContact O-CB 3.3Å; A152-F156 PolarHBondContact O-N 3.25Å
153F80Confident77.1Confident29 Ų2981 Ų8113%0.12737%0.369CS..Hα-helixtrans-74.9-33.1177.3-160.8-87.5000111.6C141 Y147 H150 P151 F156 R157C141-F153 HydrophobicContact CB-CE1 3.6Å; C141-F153 HydrophobicContact CB-CZ 4.19Å; C141-F153 WeakPolarHBondContact SG-CE1 3.36Å; Y147-F153 HydrophobicContact CD1-CD2 4.31Å; Y147-F153 HydrophobicContact CD1-CG 4.45Å; Y147-F153 HydrophobicContact CE1-CB 4.31Å; Y147-F153 AromaticContact CE1-CD2 3.76Å; Y147-F153 HydrophobicContact CE1-CD2 3.76Å; Y147-F153 HydrophobicContact CE1-CE2 4.45Å; Y147-F153 HydrophobicContact CE1-CG 4.19Å; H150-F153 HydrophobicContact CB-CB 4.4Å; H150-F153 CarbonylContact O-C 3.44Å; H150-F153 WeakPolarHBondContact O-CA 3.49Å; H150-F153 PolarHBondContact O-N 3.33Å; P151-F153 VanDerWaalsContact C-N 3.34Å; P151-F153 PolarHBondContact O-N 3.32Å; F153-F156 HydrophobicContact CD2-CD1 4.15Å; F153-F156 AromaticContact CE2-CD1 3.87Å; F153-F156 HydrophobicContact CE2-CD1 3.87Å; F153-F156 HydrophobicContact CE2-CE1 4.2Å; F153-F156 HydrophobicContact CZ-CD1 4.19Å; F153-F156 HydrophobicContact CZ-CE1 4.47Å; F153-F156 PolarHBondContact O-N 2.98Å; F153-R157 HydrophobicContact CD1-CG 3.79Å; F153-R157 HydrophobicContact CE1-CG 3.56Å; F153-R157 WeakPolarHBondContact O-CG 3.33Å; F153-R157 PolarHBondContact O-N 3.28Å
154R75.7Confident78.1Confident58 Ų5871.1 Ų71.122%0.21933%0.326CS..Hα-helixtrans-59-51.1171.2-169.1-172.8-164.3165.310.9111.3H150 P151 F156 R157 I158 V964 D965 E966 N967H150-R154 PolarHBondContact O-N 3.3Å; P151-R154 WeakPolarHBondContact O-CB 3.49Å; P151-R154 PolarHBondContact O-N 3.42Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.95Å; R154-R157 PolarHBondContact O-N 3.21Å; R154-I158 PolarHBondContact O-N 3Å; R154-V964 HydrophobicContact CG-CG1 4.08Å; R154-D965 PolarHBondContact NE-O 2.83Å; R154-D965 PolarHBondContact NH2-O 3.33Å; R154-E966 VanDerWaalsContact NH2-CA 3.34Å; R154-N967 PolarHBondContact NH1-OD1 3.29Å; R154-N967 VanDerWaalsContact NH2-N 3.18Å; R154-N967 PolarHBondContact NH2-OD1 3.43Å
155R81Confident78.9Confident134 Ų13466.3 Ų66.351%0.50631%0.307SS..Hα-helixtrans-58.4-44.4173.6-67.2-177.2-171.8-160.23.1110.9P151 R157 I158 Y159 E969P151-R155 WeakPolarHBondContact O-CG 3.5Å; P151-R155 PolarHBondContact O-N 3.07Å; R155-R157 PolarHBondContact O-N 3.3Å; R155-I158 WeakPolarHBondContact O-CB 3.35Å; R155-I158 PolarHBondContact O-N 3.23Å; R155-I158 VanDerWaalsContact O-N 3.15Å; R155-Y159 VanDerWaalsContact O-CD2 3.24Å; R155-Y159 WeakPolarHBondContact O-CD2 3.47Å; R155-Y159 PolarHBondContact O-N 2.98Å; R155-E969 IonicContact NH2-OE2 3.35Å; R155-E969 PolarHBondContact NH2-OE2 3.42Å
156F83.5Confident79.8Confident87 Ų8766.6 Ų66.638%0.38231%0.306SS..Hα-helixtrans-61.2-39.9175.4179.2-117.7000114L138 A152 F153 R154 I158 Y159 L160L138-F156 HydrophobicContact CD1-CE1 4.04Å; L138-F156 HydrophobicContact CD1-CZ 4.27Å; A152-F156 WeakPolarHBondContact O-CB 3.3Å; A152-F156 PolarHBondContact O-N 3.25Å; F153-F156 HydrophobicContact CD2-CD1 4.15Å; F153-F156 AromaticContact CE2-CD1 3.87Å; F153-F156 HydrophobicContact CE2-CD1 3.87Å; F153-F156 HydrophobicContact CE2-CE1 4.2Å; F153-F156 HydrophobicContact CZ-CD1 4.19Å; F153-F156 HydrophobicContact CZ-CE1 4.47Å; F153-F156 PolarHBondContact O-N 2.98Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.95Å; F156-I158 VanDerWaalsContact C-N 3.28Å; F156-I158 PolarHBondContact O-N 2.75Å; F156-Y159 PolarHBondContact O-N 3.43Å; F156-L160 HydrophobicContact CD1-CD1 3.87Å; F156-L160 HydrophobicContact CD2-CG 4.47Å; F156-L160 HydrophobicContact CE1-CD1 3.47Å; F156-L160 VanDerWaalsContact CE1-CD1 3.47Å; F156-L160 HydrophobicContact CE1-CG 4.19Å; F156-L160 HydrophobicContact CE2-CD1 4.3Å; F156-L160 HydrophobicContact CE2-CD2 4.28Å; F156-L160 HydrophobicContact CE2-CG 4.12Å; F156-L160 HydrophobicContact CG-CD1 4.45Å; F156-L160 HydrophobicContact CZ-CD1 3.7Å; F156-L160 HydrophobicContact CZ-CD2 4.07Å; F156-L160 HydrophobicContact CZ-CG 3.98Å; F156-L160 WeakPolarHBondContact O-CG 3.29Å; F156-L160 PolarHBondContact O-N 3.03Å
157R81.5Confident80.9Confident22 Ų2262.7 Ų62.78%0.08328%0.282CS..Hα-helixtrans-61.7-34.4173.6-74.418072.8-140.5-6.3112.4V139 C141 F153 R154 R155 L160 L161 S963 V964V139-R157 PolarHBondContact O-NE 3.48Å; V139-R157 VanDerWaalsContact O-NE 3.15Å; V139-R157 PolarHBondContact O-NH2 3.4Å; C141-R157 PolarHBondContact O-NE 3.04Å; C141-R157 VanDerWaalsContact O-NE 3.12Å; C141-R157 PolarHBondContact O-NH1 3.29Å; F153-R157 HydrophobicContact CD1-CG 3.79Å; F153-R157 HydrophobicContact CE1-CG 3.56Å; F153-R157 WeakPolarHBondContact O-CG 3.33Å; F153-R157 PolarHBondContact O-N 3.28Å; R154-R157 PolarHBondContact O-N 3.21Å; R155-R157 PolarHBondContact O-N 3.3Å; R157-L160 PolarHBondContact O-N 3.06Å; R157-L161 PolarHBondContact O-N 3.18Å; R157-S963 PolarHBondContact NH2-O 3.33Å; R157-V964 HydrophobicContact CB-CG2 3.93Å
158I81.9Confident81.7Confident25 Ų2555.5 Ų55.513%0.12825%0.253CS..Hα-helixtrans-64.9-50.8174-62.4172.3000109.9R154 R155 F156 L160 L161 Y162 V411 V964R154-I158 PolarHBondContact O-N 3Å; R155-I158 WeakPolarHBondContact O-CB 3.35Å; R155-I158 PolarHBondContact O-N 3.23Å; R155-I158 VanDerWaalsContact O-N 3.15Å; F156-I158 VanDerWaalsContact C-N 3.28Å; F156-I158 PolarHBondContact O-N 2.75Å; I158-L160 PolarHBondContact O-N 3.15Å; I158-L161 WeakPolarHBondContact O-CB 3.06Å; I158-L161 PolarHBondContact O-N 3.09Å; I158-Y162 HydrophobicContact CG2-CD2 4.12Å; I158-Y162 HydrophobicContact CG2-CE2 3.88Å; I158-Y162 WeakPolarHBondContact O-CD2 3.36Å; I158-Y162 PolarHBondContact O-N 3.11Å; I158-V411 HydrophobicContact CD1-CG2 4.5Å; I158-V964 HydrophobicContact CD1-CG1 4.39Å; I158-V964 HydrophobicContact CG1-CB 4.41Å; I158-V964 HydrophobicContact CG1-CG1 3.94Å
159Y86.8Confident82.3Confident175 Ų17555.5 Ų55.569%0.68625%0.253SS*.Hα-helixtrans-56.4-36.8175.3-70.9-67.4000113R155 F156 Y162 Y163R155-Y159 VanDerWaalsContact O-CD2 3.24Å; R155-Y159 WeakPolarHBondContact O-CD2 3.47Å; R155-Y159 PolarHBondContact O-N 2.98Å; F156-Y159 PolarHBondContact O-N 3.43Å; Y159-Y162 PolarHBondContact O-N 3.37Å; Y159-Y163 PolarHBondContact O-N 3.07Å
160L85Confident83.3Confident10 Ų1049.1 Ų49.15%0.05222%0.223CC..Hα-helixtrans-70.7-26.2174.7-69.1172.8000114P135 L138 V139 F156 R157 I158 N164P135-L160 HydrophobicContact CB-CD2 3.76Å; L138-L160 HydrophobicContact CB-CD1 3.63Å; L138-L160 HydrophobicContact CD1-CD1 4.46Å; V139-L160 HydrophobicContact CG2-CB 3.41Å; V139-L160 VanDerWaalsContact CG2-CB 3.41Å; V139-L160 HydrophobicContact CG2-CD1 4.24Å; V139-L160 HydrophobicContact CG2-CG 4.44Å; F156-L160 HydrophobicContact CD1-CD1 3.87Å; F156-L160 HydrophobicContact CD2-CG 4.47Å; F156-L160 HydrophobicContact CE1-CD1 3.47Å; F156-L160 VanDerWaalsContact CE1-CD1 3.47Å; F156-L160 HydrophobicContact CE1-CG 4.19Å; F156-L160 HydrophobicContact CE2-CD1 4.3Å; F156-L160 HydrophobicContact CE2-CD2 4.28Å; F156-L160 HydrophobicContact CE2-CG 4.12Å; F156-L160 HydrophobicContact CG-CD1 4.45Å; F156-L160 HydrophobicContact CZ-CD1 3.7Å; F156-L160 HydrophobicContact CZ-CD2 4.07Å; F156-L160 HydrophobicContact CZ-CG 3.98Å; F156-L160 WeakPolarHBondContact O-CG 3.29Å; F156-L160 PolarHBondContact O-N 3.03Å; R157-L160 PolarHBondContact O-N 3.06Å; I158-L160 PolarHBondContact O-N 3.15Å; L160-N164 WeakPolarHBondContact O-CB 3.19Å; L160-N164 PolarHBondContact O-N 3Å; L160-N164 PolarHBondContact O-OD1 3.1Å
161L82Confident83.9Confident2 Ų246 Ų461%0.0121%0.209CC..Hα-helixtrans-66.9-43.9170.1-76.1168.9000111.1V139 R157 I158 N164 A165 V411 T413 V964V139-L161 HydrophobicContact CG1-CD2 3.58Å; V139-L161 HydrophobicContact CG1-CG 4.02Å; R157-L161 PolarHBondContact O-N 3.18Å; I158-L161 WeakPolarHBondContact O-CB 3.06Å; I158-L161 PolarHBondContact O-N 3.09Å; L161-N164 PolarHBondContact O-N 3Å; L161-A165 WeakPolarHBondContact O-CB 3.41Å; L161-A165 PolarHBondContact O-N 3.09Å; L161-V411 HydrophobicContact CD1-CB 4.5Å; L161-V411 HydrophobicContact CD1-CG1 4.19Å; L161-T413 HydrophobicContact CD2-CG2 4.15Å; L161-V964 HydrophobicContact CD1-CB 4.31Å; L161-V964 HydrophobicContact CD1-CG2 3.68Å
162Y87.5Confident84.6Confident84 Ų8442.7 Ų42.733%0.32919%0.187SC..Hα-helixtrans-61.3-45.3172.7-78.4-94.8000111.1I158 Y159 N164 A165 Y166 V363I158-Y162 HydrophobicContact CG2-CD2 4.12Å; I158-Y162 HydrophobicContact CG2-CE2 3.88Å; I158-Y162 WeakPolarHBondContact O-CD2 3.36Å; I158-Y162 PolarHBondContact O-N 3.11Å; Y159-Y162 PolarHBondContact O-N 3.37Å; Y162-N164 PolarHBondContact O-N 3.25Å; Y162-A165 PolarHBondContact O-N 3.4Å; Y162-Y166 AromaticContact CD1-CD2 3.97Å; Y162-Y166 HydrophobicContact CD1-CD2 3.97Å; Y162-Y166 AromaticContact CD1-CE2 3.61Å; Y162-Y166 HydrophobicContact CD1-CE2 3.61Å; Y162-Y166 HydrophobicContact CE1-CE2 4.15Å; Y162-Y166 HydrophobicContact CG-CE2 4.47Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.36Å; Y162-Y166 PolarHBondContact O-N 3.25Å; Y162-V363 HydrophobicContact CD1-CB 4.42Å; Y162-V363 HydrophobicContact CD1-CG2 3.92Å; Y162-V363 HydrophobicContact CD2-CB 4.46Å; Y162-V363 HydrophobicContact CD2-CG1 4.38Å; Y162-V363 HydrophobicContact CD2-CG2 3.95Å; Y162-V363 HydrophobicContact CE1-CB 4.04Å; Y162-V363 HydrophobicContact CE1-CG2 4.06Å; Y162-V363 HydrophobicContact CE2-CB 4.08Å; Y162-V363 HydrophobicContact CE2-CG1 3.81Å; Y162-V363 HydrophobicContact CE2-CG2 4.09Å; Y162-V363 HydrophobicContact CG-CG2 3.85Å
163Y88.3Confident85.1Confident53 Ų5340 Ų4021%0.20817%0.165CC..Hα-helixtrans-56.6-47.1174.3179-92.3000112.6S132 P135 Y159 A165 I167 L168S132-Y163 WeakPolarHBondContact CA-OH 3.23Å; S132-Y163 PolarHBondContact O-OH 3.31Å; P135-Y163 HydrophobicContact CB-CD1 4.5Å; P135-Y163 HydrophobicContact CB-CE1 4.17Å; P135-Y163 HydrophobicContact CG-CE1 3.84Å; Y159-Y163 PolarHBondContact O-N 3.07Å; Y163-A165 PolarHBondContact O-N 3.1Å; Y163-I167 HydrophobicContact CD2-CB 4.02Å; Y163-I167 HydrophobicContact CD2-CD1 3.93Å; Y163-I167 HydrophobicContact CD2-CG2 4.1Å; Y163-I167 HydrophobicContact CE2-CB 4.15Å; Y163-I167 HydrophobicContact CE2-CD1 4.42Å; Y163-I167 HydrophobicContact CE2-CG2 3.73Å; Y163-I167 WeakPolarHBondContact O-CA 3.33Å; Y163-I167 WeakPolarHBondContact O-CB 3.29Å; Y163-I167 PolarHBondContact O-N 3.47Å; Y163-L168 HydrophobicContact CD1-CB 4.28Å; Y163-L168 HydrophobicContact CE1-CB 3.92Å; Y163-L168 HydrophobicContact CE1-CD2 4.43Å; Y163-L168 PolarHBondContact O-N 3Å
164N84.5Confident85.7Confident1 Ų140 Ų401%0.00517%0.165CC..Iπ-helixtrans-62.4-42.5179.5-80.64.1000112.1S136 V139 L160 L161 Y162 F169 F959S136-N164 WeakPolarHBondContact CA-OD1 3.36Å; S136-N164 WeakPolarHBondContact CB-OD1 3.45Å; V139-N164 WeakPolarHBondContact CG2-ND2 3.38Å; L160-N164 WeakPolarHBondContact O-CB 3.19Å; L160-N164 PolarHBondContact O-N 3Å; L160-N164 PolarHBondContact O-OD1 3.1Å; L161-N164 PolarHBondContact O-N 3Å; Y162-N164 PolarHBondContact O-N 3.25Å; N164-F169 WeakPolarHBondContact O-CB 3.3Å; N164-F169 PolarHBondContact O-N 2.85Å; N164-F169 VanDerWaalsContact O-N 3.12Å; N164-F959 HydrophobicContact CB-CD1 4.35Å; N164-F959 HydrophobicContact CB-CD2 4.06Å; N164-F959 HydrophobicContact CB-CE2 4.27Å; N164-F959 HydrophobicContact CB-CG 4.14Å; N164-F959 VanDerWaalsContact ND2-CD1 3.33Å; N164-F959 WeakPolarHBondContact ND2-CD1 3.39Å
165A81.6Confident86.5Confident1 Ų137.5 Ų37.51%0.00816%0.157CC..Iπ-helixtrans-72.1-48.5-177.300000113.3L161 Y162 Y163 Q361 V363 T413L161-A165 WeakPolarHBondContact O-CB 3.41Å; L161-A165 PolarHBondContact O-N 3.09Å; Y162-A165 PolarHBondContact O-N 3.4Å; Y163-A165 PolarHBondContact O-N 3.1Å; A165-Q361 HydrophobicContact CB-CB 4Å; A165-V363 HydrophobicContact CB-CG2 4.36Å; A165-T413 HydrophobicContact CB-CG2 4.4Å
166Y87.4Confident87Confident89 Ų8931.6 Ų31.635%0.34914%0.135SC..Iπ-helixtrans-102.2-21.1-167.4-61-70.7000114.6Y162 P170 K362 V363Y162-Y166 AromaticContact CD1-CD2 3.97Å; Y162-Y166 HydrophobicContact CD1-CD2 3.97Å; Y162-Y166 AromaticContact CD1-CE2 3.61Å; Y162-Y166 HydrophobicContact CD1-CE2 3.61Å; Y162-Y166 HydrophobicContact CE1-CE2 4.15Å; Y162-Y166 HydrophobicContact CG-CE2 4.47Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.36Å; Y162-Y166 PolarHBondContact O-N 3.25Å; Y166-P170 WeakPolarHBondContact O-CG 3.32Å; Y166-K362 WeakPolarHBondContact OH-CA 3.46Å; Y166-V363 HydrophobicContact CE2-CG2 4.08Å; Y166-V363 PolarHBondContact OH-N 3.03Å
167I88.3Confident87.4Confident34 Ų3427.5 Ų27.517%0.17412%0.117CC..Iπ-helixtrans-113.3-59.5-175.2-60.1177.7000110.7Y163 P170 I171Y163-I167 HydrophobicContact CD2-CB 4.02Å; Y163-I167 HydrophobicContact CD2-CD1 3.93Å; Y163-I167 HydrophobicContact CD2-CG2 4.1Å; Y163-I167 HydrophobicContact CE2-CB 4.15Å; Y163-I167 HydrophobicContact CE2-CD1 4.42Å; Y163-I167 HydrophobicContact CE2-CG2 3.73Å; Y163-I167 WeakPolarHBondContact O-CA 3.33Å; Y163-I167 WeakPolarHBondContact O-CB 3.29Å; Y163-I167 PolarHBondContact O-N 3.47Å; I167-P170 WeakPolarHBondContact O-CD 3.49Å; I167-I171 HydrophobicContact CG2-CD1 3.93Å; I167-I171 VanDerWaalsContact O-CB 3.23Å; I167-I171 WeakPolarHBondContact O-CB 2.99Å; I167-I171 VanDerWaalsContact O-CG1 3.31Å; I167-I171 WeakPolarHBondContact O-CG1 3.44Å; I167-I171 PolarHBondContact O-N 2.8Å
168L87.9Confident88Confident0 Ų026.9 Ų26.90%012%0.117CC..Iπ-helixtrans-66.9-47.3-177167.954.3000112.4Y133 Y163 I171 G172 F959Y133-L168 HydrophobicContact CD1-CD1 3.96Å; Y133-L168 HydrophobicContact CD1-CD2 4.23Å; Y133-L168 HydrophobicContact CD2-CD1 3.91Å; Y133-L168 HydrophobicContact CE1-CD1 4.04Å; Y133-L168 HydrophobicContact CE2-CD1 3.97Å; Y133-L168 HydrophobicContact CG-CD1 3.9Å; Y163-L168 HydrophobicContact CD1-CB 4.28Å; Y163-L168 HydrophobicContact CE1-CB 3.92Å; Y163-L168 HydrophobicContact CE1-CD2 4.43Å; Y163-L168 PolarHBondContact O-N 3Å; L168-I171 PolarHBondContact O-N 3.34Å; L168-G172 WeakPolarHBondContact O-CA 3.48Å; L168-G172 PolarHBondContact O-N 3.33Å; L168-F959 HydrophobicContact CD2-CE1 4.05Å; L168-F959 HydrophobicContact CD2-CE2 4.05Å; L168-F959 HydrophobicContact CD2-CZ 3.33Å; L168-F959 HydrophobicContact CG-CE2 4.1Å; L168-F959 HydrophobicContact CG-CZ 3.81Å
169F84.4Confident88.6Confident5 Ų525.8 Ų25.82%0.02211%0.111CC..Hα-helixtrans-54.7-51-178-175.4-118.3000113.5N164 N173 L357 V360 Q361 E956N164-F169 WeakPolarHBondContact O-CB 3.3Å; N164-F169 PolarHBondContact O-N 2.85Å; N164-F169 VanDerWaalsContact O-N 3.12Å; F169-N173 PolarHBondContact O-ND2 3.3Å; F169-L357 HydrophobicContact CD1-CB 4.02Å; F169-L357 HydrophobicContact CE1-CB 3.8Å; F169-L357 HydrophobicContact CE1-CD2 3.78Å; F169-L357 HydrophobicContact CE1-CG 4.23Å; F169-L357 HydrophobicContact CZ-CD2 3.88Å; F169-V360 HydrophobicContact CE1-CB 3.95Å; F169-V360 HydrophobicContact CE1-CG1 3.99Å; F169-V360 HydrophobicContact CE1-CG2 4.44Å; F169-V360 HydrophobicContact CZ-CG1 4.45Å; F169-Q361 HydrophobicContact CD1-CG 4.05Å; F169-Q361 HydrophobicContact CE1-CG 4.23Å; F169-E956 HydrophobicContact CZ-CB 4.34Å
170P89.6Confident88.9Confident0 Ų017.6 Ų17.60%08%0.08CC..Hα-helixtrans-72.1-50.717425.8-32.1000113.6Y166 I167 G172 N173 I174 L357 F358Y166-P170 WeakPolarHBondContact O-CG 3.32Å; I167-P170 WeakPolarHBondContact O-CD 3.49Å; P170-G172 PolarHBondContact O-N 3.17Å; P170-N173 PolarHBondContact O-N 3.42Å; P170-I174 WeakPolarHBondContact O-CB 3.31Å; P170-I174 WeakPolarHBondContact O-CD1 3.45Å; P170-I174 WeakPolarHBondContact O-CG1 3.33Å; P170-I174 PolarHBondContact O-N 3.44Å; P170-L357 HydrophobicContact CB-CB 4.43Å; P170-F358 HydrophobicContact CB-CD1 3.8Å; P170-F358 HydrophobicContact CB-CD2 3.68Å; P170-F358 HydrophobicContact CB-CE1 3.7Å; P170-F358 HydrophobicContact CB-CE2 3.6Å; P170-F358 HydrophobicContact CB-CG 3.79Å; P170-F358 HydrophobicContact CB-CZ 3.61Å; P170-F358 HydrophobicContact CG-CD1 3.54Å; P170-F358 HydrophobicContact CG-CD2 4.36Å; P170-F358 HydrophobicContact CG-CE1 3.49Å; P170-F358 VanDerWaalsContact CG-CE1 3.49Å; P170-F358 HydrophobicContact CG-CE2 4.33Å; P170-F358 HydrophobicContact CG-CG 4Å; P170-F358 HydrophobicContact CG-CZ 3.91Å
171I90.6Very high89.2Confident24 Ų2419.3 Ų19.312%0.1239%0.085CC..Hα-helixtrans-70.2-35-171.4-59.6-178.7000112.2I128 I167 L168 I174 S175I128-I171 HydrophobicContact CG2-CG2 3.88Å; I167-I171 HydrophobicContact CG2-CD1 3.93Å; I167-I171 VanDerWaalsContact O-CB 3.23Å; I167-I171 WeakPolarHBondContact O-CB 2.99Å; I167-I171 VanDerWaalsContact O-CG1 3.31Å; I167-I171 WeakPolarHBondContact O-CG1 3.44Å; I167-I171 PolarHBondContact O-N 2.8Å; L168-I171 PolarHBondContact O-N 3.34Å; I171-I174 PolarHBondContact O-N 2.91Å; I171-S175 WeakPolarHBondContact O-CB 3.04Å; I171-S175 PolarHBondContact O-N 3.47Å; I171-S175 PolarHBondContact O-OG 3.42Å
172G90.2Very high89.8Confident0 Ų019.7 Ų19.70%09%0.087CC..Hα-helixtrans-57-59.9170.400000110.5L168 P170 I174 S175 E176L168-G172 WeakPolarHBondContact O-CA 3.48Å; L168-G172 PolarHBondContact O-N 3.33Å; P170-G172 PolarHBondContact O-N 3.17Å; G172-I174 VanDerWaalsContact C-N 3.31Å; G172-I174 PolarHBondContact O-N 3.49Å; G172-S175 PolarHBondContact O-N 3.33Å; G172-S175 PolarHBondContact O-OG 2.79Å; G172-E176 WeakPolarHBondContact O-CG 3.49Å; G172-E176 PolarHBondContact O-N 2.93Å
173N90Very high90Very high8 Ų815.8 Ų15.84%0.0437%0.072CC..Hα-helixtrans-58.8-37.6179.6-79.5-92.2000113F169 P170 T177 L357 R431F169-N173 PolarHBondContact O-ND2 3.3Å; P170-N173 PolarHBondContact O-N 3.42Å; N173-T177 WeakPolarHBondContact O-CB 3.46Å; N173-T177 PolarHBondContact O-N 3.15Å; N173-T177 PolarHBondContact O-OG1 2.87Å; N173-L357 HydrophobicContact CB-CD1 3.52Å; N173-R431 PolarHBondContact OD1-NH1 2.89Å
174I92Very high90.2Very high27 Ų2713.5 Ų13.514%0.1386%0.063CC..Hα-helixtrans-61.3-46.1174.1-70.9165.2000111.4P170 I171 G172 A178 I351 N354 F358P170-I174 WeakPolarHBondContact O-CB 3.31Å; P170-I174 WeakPolarHBondContact O-CD1 3.45Å; P170-I174 WeakPolarHBondContact O-CG1 3.33Å; P170-I174 PolarHBondContact O-N 3.44Å; I171-I174 PolarHBondContact O-N 2.91Å; G172-I174 VanDerWaalsContact C-N 3.31Å; G172-I174 PolarHBondContact O-N 3.49Å; I174-A178 WeakPolarHBondContact O-CB 3.5Å; I174-A178 PolarHBondContact O-N 2.96Å; I174-I351 HydrophobicContact CG2-CG1 3.83Å; I174-N354 HydrophobicContact CG1-CB 3.6Å; I174-F358 HydrophobicContact CD1-CE2 3.99Å; I174-F358 HydrophobicContact CD1-CZ 4.36Å
175S93.3Very high90.5Very high6 Ų615.1 Ų15.14%0.0427%0.073CC..Hα-helixtrans-74.4-38.2-176.853.10000112.9T129 I171 G172 A178 S179T129-S175 WeakPolarHBondContact CA-OG 3.49Å; T129-S175 PolarHBondContact N-OG 3.02Å; T129-S175 WeakPolarHBondContact OG1-CB 3.47Å; T129-S175 PolarHBondContact OG1-OG 3.08Å; T129-S175 VanDerWaalsContact OG1-OG 3.14Å; I171-S175 WeakPolarHBondContact O-CB 3.04Å; I171-S175 PolarHBondContact O-N 3.47Å; I171-S175 PolarHBondContact O-OG 3.42Å; G172-S175 PolarHBondContact O-N 3.33Å; G172-S175 PolarHBondContact O-OG 2.79Å; S175-A178 PolarHBondContact O-N 3.18Å; S175-S179 PolarHBondContact O-N 3.49Å
176E91.3Very high90.9Very high10 Ų1015.1 Ų15.15%0.0477%0.073CC..Hα-helixtrans-59.1-49.1169.3-67.8-169.9135.700111.1T129 G172 A178 S179 V180 Q522 Y565T129-E176 HydrophobicContact CG2-CG 3.63Å; G172-E176 WeakPolarHBondContact O-CG 3.49Å; G172-E176 PolarHBondContact O-N 2.93Å; E176-A178 VanDerWaalsContact C-N 3.31Å; E176-A178 PolarHBondContact O-N 3.43Å; E176-S179 PolarHBondContact O-N 2.89Å; E176-S179 VanDerWaalsContact O-N 3.09Å; E176-V180 WeakPolarHBondContact O-CG2 3.43Å; E176-V180 PolarHBondContact O-N 3.08Å; E176-Q522 PolarHBondContact OE1-NE2 2.88Å; E176-Y565 HydrophobicContact CG-CE2 4.42Å; E176-Y565 WeakPolarHBondContact CG-OH 3.29Å
177T92.2Very high91Very high2 Ų210.9 Ų10.91%0.0126%0.056CC..Hα-helixtrans-55.4-45.8176.8-61.10000111.3N173 S179 V180 W181 N354 I435N173-T177 WeakPolarHBondContact O-CB 3.46Å; N173-T177 PolarHBondContact O-N 3.15Å; N173-T177 PolarHBondContact O-OG1 2.87Å; T177-S179 PolarHBondContact O-N 2.88Å; T177-V180 PolarHBondContact O-N 3.36Å; T177-W181 VanDerWaalsContact O-CD1 3.23Å; T177-W181 PolarHBondContact O-N 3.21Å; T177-N354 PolarHBondContact OG1-ND2 3.37Å; T177-I435 HydrophobicContact CG2-CD1 3.96Å; T177-I435 HydrophobicContact CG2-CG1 4.16Å; T177-I435 HydrophobicContact CG2-CG2 3.96Å; T177-I435 WeakPolarHBondContact OG1-CG2 3.19Å
178A93.6Very high91Very high9 Ų911.1 Ų11.17%0.0746%0.059CC..Hα-helixtrans-62.6-41.9177.400000112A125 I174 S175 E176 W181 F182 S350A125-A178 HydrophobicContact CB-CB 4.28Å; I174-A178 WeakPolarHBondContact O-CB 3.5Å; I174-A178 PolarHBondContact O-N 2.96Å; S175-A178 PolarHBondContact O-N 3.18Å; E176-A178 VanDerWaalsContact C-N 3.31Å; E176-A178 PolarHBondContact O-N 3.43Å; A178-W181 PolarHBondContact O-N 3.22Å; A178-F182 HydrophobicContact CB-CD2 4.29Å; A178-F182 HydrophobicContact CB-CE2 3.85Å; A178-F182 WeakPolarHBondContact O-CB 3.31Å; A178-F182 WeakPolarHBondContact O-CD2 3.25Å; A178-F182 VanDerWaalsContact O-CG 3.24Å; A178-F182 WeakPolarHBondContact O-CG 3.26Å; A178-F182 PolarHBondContact O-N 3.24Å; A178-S350 WeakPolarHBondContact CA-OG 3.23Å; A178-S350 PolarHBondContact N-OG 2.72Å
179S93.8Very high91Very high1 Ų112.1 Ų12.11%0.0076%0.064CC..Hα-helixtrans-63.1-41176.9-167.50000112D126 S175 E176 T177 T183D126-S179 PolarHBondContact OD1-OG 2.85Å; S175-S179 PolarHBondContact O-N 3.49Å; E176-S179 PolarHBondContact O-N 2.89Å; E176-S179 VanDerWaalsContact O-N 3.09Å; T177-S179 PolarHBondContact O-N 2.88Å; S179-T183 VanDerWaalsContact O-CB 3.26Å; S179-T183 WeakPolarHBondContact O-CB 3.21Å; S179-T183 PolarHBondContact O-N 3.48Å; S179-T183 PolarHBondContact O-OG1 3.42Å
180V92.6Very high91.1Very high4 Ų412.6 Ų12.62%0.0247%0.065CC..Hα-helixtrans-57.8-52.3172.3177.40000111.5E176 T177 T183 L184 P439 F515E176-V180 WeakPolarHBondContact O-CG2 3.43Å; E176-V180 PolarHBondContact O-N 3.08Å; T177-V180 PolarHBondContact O-N 3.36Å; V180-T183 PolarHBondContact O-N 3.15Å; V180-L184 WeakPolarHBondContact O-CB 3.42Å; V180-L184 PolarHBondContact O-N 2.92Å; V180-P439 HydrophobicContact CG1-CB 3.49Å; V180-P439 VanDerWaalsContact CG1-CB 3.49Å; V180-P439 HydrophobicContact CG1-CG 4.26Å; V180-F515 HydrophobicContact CB-CZ 4.19Å; V180-F515 HydrophobicContact CG2-CE1 4.13Å; V180-F515 HydrophobicContact CG2-CZ 3.68Å
181W92.8Very high90.9Very high46 Ų4616.9 Ų16.917%0.1748%0.082CC..Hα-helixtrans-69.4-36.5-176.7-77.4107.3000113.3T177 A178 L184 V185 I346 F349 L434 P439T177-W181 VanDerWaalsContact O-CD1 3.23Å; T177-W181 PolarHBondContact O-N 3.21Å; A178-W181 PolarHBondContact O-N 3.22Å; W181-L184 HydrophobicContact CE3-CD2 3.84Å; W181-L184 HydrophobicContact CH2-CD2 4.49Å; W181-L184 HydrophobicContact CZ3-CD2 3.66Å; W181-L184 PolarHBondContact O-N 3.36Å; W181-V185 PolarHBondContact O-N 3.47Å; W181-I346 HydrophobicContact CB-CB 4.5Å; W181-I346 HydrophobicContact CB-CG1 4.28Å; W181-I346 HydrophobicContact CB-CG2 3.52Å; W181-F349 AromaticContact CE2-CE1 3.81Å; W181-F349 HydrophobicContact CH2-CE1 4.44Å; W181-F349 AromaticContact CZ2-CE1 3.77Å; W181-F349 HydrophobicContact CZ2-CE1 3.77Å; W181-F349 AromaticContact NE1-CE1 3.95Å; W181-L434 WeakPolarHBondContact CZ2-O 3.37Å; W181-P439 HydrophobicContact CH2-CG 4.19Å; W181-P439 HydrophobicContact CZ2-CG 3.85Å
182F93.6Very high90.6Very high9 Ų919.7 Ų19.74%0.03910%0.097CC..Hα-helixtrans-64.5-42.9172.1-66.7-43.8000111.7Y118 A121 M122 A125 A178 L184 V185 L186 L343 I346Y118-F182 HydrophobicContact CD1-CD1 4.35Å; A121-F182 HydrophobicContact CB-CD1 4.03Å; A121-F182 HydrophobicContact CB-CD2 3.84Å; A121-F182 HydrophobicContact CB-CE1 3.97Å; A121-F182 HydrophobicContact CB-CE2 3.77Å; A121-F182 HydrophobicContact CB-CG 3.99Å; A121-F182 HydrophobicContact CB-CZ 3.86Å; M122-F182 HydrophobicContact CG-CB 3.52Å; M122-F182 HydrophobicContact CG-CG 4.49Å; M122-F182 HydrophobicContact SD-CB 4.47Å; A125-F182 HydrophobicContact CB-CD2 4.37Å; A125-F182 HydrophobicContact CB-CE2 4.37Å; A178-F182 HydrophobicContact CB-CD2 4.29Å; A178-F182 HydrophobicContact CB-CE2 3.85Å; A178-F182 WeakPolarHBondContact O-CB 3.31Å; A178-F182 WeakPolarHBondContact O-CD2 3.25Å; A178-F182 VanDerWaalsContact O-CG 3.24Å; A178-F182 WeakPolarHBondContact O-CG 3.26Å; A178-F182 PolarHBondContact O-N 3.24Å; F182-L184 VanDerWaalsContact C-N 3.31Å; F182-L184 PolarHBondContact O-N 2.63Å; F182-V185 PolarHBondContact O-N 3.1Å; F182-L186 WeakPolarHBondContact O-CB 3.4Å; F182-L186 PolarHBondContact O-N 3.24Å; F182-L343 HydrophobicContact CD1-CD2 3.83Å; F182-L343 HydrophobicContact CE1-CD2 3.53Å; F182-L343 HydrophobicContact CZ-CD2 4.36Å; F182-I346 HydrophobicContact CD1-CB 4.08Å; F182-I346 HydrophobicContact CD1-CD1 3.63Å; F182-I346 HydrophobicContact CD1-CG1 4.46Å; F182-I346 HydrophobicContact CD1-CG2 3.62Å; F182-I346 HydrophobicContact CE1-CB 3.66Å; F182-I346 HydrophobicContact CE1-CD1 3.96Å; F182-I346 HydrophobicContact CE1-CG1 4.44Å; F182-I346 HydrophobicContact CE1-CG2 3.4Å; F182-I346 VanDerWaalsContact CE1-CG2 3.4Å; F182-I346 HydrophobicContact CE2-CG2 4.45Å; F182-I346 HydrophobicContact CG-CG2 4.21Å; F182-I346 HydrophobicContact CZ-CB 4.38Å; F182-I346 HydrophobicContact CZ-CG2 3.85Å
183T92.8Very high90.2Very high3 Ų320.1 Ų20.12%0.01810%0.1CC..Hα-helixtrans-60.1-42.4175.5-59.60000111M122 S179 V180 S187 L443 I512 F515M122-T183 PolarHBondContact SD-OG1 3.1Å; M122-T183 VanDerWaalsContact SD-OG1 3.35Å; S179-T183 VanDerWaalsContact O-CB 3.26Å; S179-T183 WeakPolarHBondContact O-CB 3.21Å; S179-T183 PolarHBondContact O-N 3.48Å; S179-T183 PolarHBondContact O-OG1 3.42Å; V180-T183 PolarHBondContact O-N 3.15Å; T183-S187 PolarHBondContact O-N 3.22Å; T183-L443 HydrophobicContact CG2-CD2 3.99Å; T183-I512 HydrophobicContact CG2-CB 4.4Å; T183-I512 HydrophobicContact CG2-CG1 3.83Å; T183-I512 HydrophobicContact CG2-CG2 4.08Å; T183-F515 HydrophobicContact CG2-CD1 3.94Å; T183-F515 HydrophobicContact CG2-CE1 4.25Å; T183-F515 HydrophobicContact CG2-CG 4.12Å
184L91.8Very high89.7Confident5 Ų520.2 Ų20.23%0.02610%0.1CC..Hα-helixtrans-65.8-51.9177.9176.360.4000112.4V180 W181 F182 L186 S187 V188 P439 F442 L443V180-L184 WeakPolarHBondContact O-CB 3.42Å; V180-L184 PolarHBondContact O-N 2.92Å; W181-L184 HydrophobicContact CE3-CD2 3.84Å; W181-L184 HydrophobicContact CH2-CD2 4.49Å; W181-L184 HydrophobicContact CZ3-CD2 3.66Å; W181-L184 PolarHBondContact O-N 3.36Å; F182-L184 VanDerWaalsContact C-N 3.31Å; F182-L184 PolarHBondContact O-N 2.63Å; L184-L186 VanDerWaalsContact C-N 3.27Å; L184-L186 PolarHBondContact O-N 2.72Å; L184-S187 WeakPolarHBondContact O-CB 3.17Å; L184-S187 PolarHBondContact O-N 2.71Å; L184-S187 PolarHBondContact O-OG 3.03Å; L184-V188 HydrophobicContact CD1-CG2 4.49Å; L184-V188 PolarHBondContact O-N 3.22Å; L184-P439 HydrophobicContact CD2-CB 4.31Å; L184-F442 HydrophobicContact CD1-CB 4.33Å; L184-F442 HydrophobicContact CD1-CD1 3.42Å; L184-F442 VanDerWaalsContact CD1-CD1 3.42Å; L184-F442 HydrophobicContact CD1-CE1 3.94Å; L184-F442 HydrophobicContact CD1-CG 4.11Å; L184-F442 HydrophobicContact CD2-CD1 3.89Å; L184-F442 HydrophobicContact CG-CD1 4.13Å; L184-L443 HydrophobicContact CB-CD2 4.1Å; L184-L443 HydrophobicContact CB-CG 4.16Å; L184-L443 HydrophobicContact CD1-CD2 4.07Å; L184-L443 HydrophobicContact CD1-CG 3.91Å
185V90.9Very high89Confident35 Ų3520.7 Ų20.721%0.21211%0.106CC..Hα-helixtrans-65.8-32.1-179.5173.80000111.8Y118 W181 F182 V188 E189 I346Y118-V185 HydrophobicContact CE1-CG1 3.96Å; Y118-V185 HydrophobicContact CE2-CG1 4.12Å; Y118-V185 WeakPolarHBondContact OH-CG1 3.23Å; W181-V185 PolarHBondContact O-N 3.47Å; F182-V185 PolarHBondContact O-N 3.1Å; V185-V188 PolarHBondContact O-N 3.46Å; V185-E189 VanDerWaalsContact O-CB 3.31Å; V185-E189 WeakPolarHBondContact O-CB 3.25Å; V185-E189 PolarHBondContact O-N 2.94Å; V185-I346 HydrophobicContact CB-CD1 4.11Å; V185-I346 HydrophobicContact CG2-CD1 3.86Å
186L90.5Very high88Confident0 Ų023.6 Ų23.60%012%0.119CC..Hα-helixtrans-60.8-43.8169.3175.561.7000112.2A115 Y118 M119 M122 F182 L184 V188 E189 R190 L508A115-L186 HydrophobicContact CB-CD1 3.7Å; Y118-L186 HydrophobicContact CD2-CD1 4.48Å; M119-L186 HydrophobicContact CG-CD2 4.46Å; M122-L186 HydrophobicContact CE-CD2 3.33Å; M122-L186 HydrophobicContact SD-CD2 3.74Å; F182-L186 WeakPolarHBondContact O-CB 3.4Å; F182-L186 PolarHBondContact O-N 3.24Å; L184-L186 VanDerWaalsContact C-N 3.27Å; L184-L186 PolarHBondContact O-N 2.72Å; L186-V188 VanDerWaalsContact C-N 3.35Å; L186-V188 PolarHBondContact O-N 3.42Å; L186-E189 PolarHBondContact O-N 3.29Å; L186-R190 HydrophobicContact CD1-CG 4.3Å; L186-R190 WeakPolarHBondContact O-CB 3.39Å; L186-R190 WeakPolarHBondContact O-CG 3.26Å; L186-R190 PolarHBondContact O-N 2.91Å; L186-L508 HydrophobicContact CD1-CD1 4.08Å; L186-L508 HydrophobicContact CD1-CD2 4.46Å; L186-L508 HydrophobicContact CD2-CD2 3.8Å; L186-L508 HydrophobicContact CG-CD2 4.48Å
187S89.3Confident87.1Confident0 Ų024.8 Ų24.80%013%0.125CC..Hα-helixtrans-62-42.1177.182.10000111.8T183 L184 R190 Y191 V446T183-S187 PolarHBondContact O-N 3.22Å; L184-S187 WeakPolarHBondContact O-CB 3.17Å; L184-S187 PolarHBondContact O-N 2.71Å; L184-S187 PolarHBondContact O-OG 3.03Å; S187-R190 PolarHBondContact O-N 3.46Å; S187-Y191 WeakPolarHBondContact O-CB 3.43Å; S187-Y191 PolarHBondContact O-N 3.17Å; S187-V446 WeakPolarHBondContact OG-CG1 3.38Å
188V88.3Confident85.8Confident40 Ų4025.3 Ų25.324%0.24213%0.131CC..Hα-helixtrans-66.3-45.5175.9175.20000111.2L184 V185 L186 R190 Y191 L192 F442 V446L184-V188 HydrophobicContact CD1-CG2 4.49Å; L184-V188 PolarHBondContact O-N 3.22Å; V185-V188 PolarHBondContact O-N 3.46Å; L186-V188 VanDerWaalsContact C-N 3.35Å; L186-V188 PolarHBondContact O-N 3.42Å; V188-R190 VanDerWaalsContact C-N 3.29Å; V188-R190 PolarHBondContact O-N 2.86Å; V188-Y191 PolarHBondContact O-N 3.3Å; V188-Y191 VanDerWaalsContact O-N 3.15Å; V188-L192 HydrophobicContact CG1-CD1 3.92Å; V188-L192 HydrophobicContact CG1-CG 4.3Å; V188-L192 WeakPolarHBondContact O-CB 3.18Å; V188-L192 VanDerWaalsContact O-CG 3.32Å; V188-L192 WeakPolarHBondContact O-CG 3.24Å; V188-L192 PolarHBondContact O-N 3.41Å; V188-F442 HydrophobicContact CG2-CE1 3.92Å; V188-F442 HydrophobicContact CG2-CZ 4.14Å; V188-V446 HydrophobicContact CG2-CG2 4.41Å
189E86.9Confident84.3Confident20 Ų2027.4 Ų27.49%0.09315%0.145CC..Hα-helixtrans-61.4-38.1177.6-168.3-82.9159.700111.4A114 Y118 V185 L186 T193 R335A114-E189 HydrophobicContact CB-CG 4.31Å; Y118-E189 HydrophobicContact CE2-CB 4.38Å; Y118-E189 HydrophobicContact CE2-CG 4.32Å; V185-E189 VanDerWaalsContact O-CB 3.31Å; V185-E189 WeakPolarHBondContact O-CB 3.25Å; V185-E189 PolarHBondContact O-N 2.94Å; L186-E189 PolarHBondContact O-N 3.29Å; E189-T193 WeakPolarHBondContact O-CB 3.5Å; E189-T193 PolarHBondContact O-N 2.92Å; E189-T193 PolarHBondContact O-OG1 2.94Å; E189-R335 IonicContact OE1-CZ 3.02Å; E189-R335 IonicContact OE1-NE 3.82Å; E189-R335 IonicContact OE1-NH2 2.83Å; E189-R335 PolarHBondContact OE1-NH2 2.95Å
190R87.2Confident82.6Confident15 Ų1532 Ų326%0.05717%0.173CC..Hα-helixtrans-67.4-43.7171.7-74-58.497.1-171.72.5112.7L186 S187 V188 T193 M194 L450 Q501 T505 L508L186-R190 HydrophobicContact CD1-CG 4.3Å; L186-R190 WeakPolarHBondContact O-CB 3.39Å; L186-R190 WeakPolarHBondContact O-CG 3.26Å; L186-R190 PolarHBondContact O-N 2.91Å; S187-R190 PolarHBondContact O-N 3.46Å; V188-R190 VanDerWaalsContact C-N 3.29Å; V188-R190 PolarHBondContact O-N 2.86Å; R190-T193 PolarHBondContact NH2-OG1 3.41Å; R190-T193 WeakPolarHBondContact O-CB 3.49Å; R190-T193 PolarHBondContact O-N 3.44Å; R190-M194 WeakPolarHBondContact O-CG 3.37Å; R190-M194 PolarHBondContact O-N 3.34Å; R190-L450 HydrophobicContact CB-CD1 4.46Å; R190-L450 HydrophobicContact CB-CD2 4.43Å; R190-Q501 VanDerWaalsContact NH1-OE1 3.13Å; R190-T505 HydrophobicContact CB-CG2 4.38Å; R190-L508 HydrophobicContact CG-CD1 3.68Å
191Y85.4Confident80.5Confident90 Ų9034 Ų3435%0.35319%0.187SC..Hα-helixtrans-60.6-47.6177.1179.6-108.2000111.8S187 V188 T193 M194 S195 C449 L450S187-Y191 WeakPolarHBondContact O-CB 3.43Å; S187-Y191 PolarHBondContact O-N 3.17Å; V188-Y191 PolarHBondContact O-N 3.3Å; V188-Y191 VanDerWaalsContact O-N 3.15Å; Y191-T193 VanDerWaalsContact C-N 3.31Å; Y191-T193 PolarHBondContact O-N 2.89Å; Y191-M194 PolarHBondContact O-N 2.98Å; Y191-S195 WeakPolarHBondContact O-CB 3.48Å; Y191-S195 PolarHBondContact O-N 3.44Å; Y191-S195 PolarHBondContact O-OG 3.27Å; Y191-S195 VanDerWaalsContact O-OG 3.14Å; Y191-C449 HydrophobicContact CD2-CB 4.3Å; Y191-C449 HydrophobicContact CE2-CB 3.88Å; Y191-L450 HydrophobicContact CD2-CD2 4.33Å; Y191-L450 HydrophobicContact CD2-CG 4.27Å
192L84.4Confident78.3Confident83 Ų8336.8 Ų36.844%0.43520%0.202SC..Hα-helixtrans-62-35.3174.2-66.4174.4000112.4V188 S195 Q196V188-L192 HydrophobicContact CG1-CD1 3.92Å; V188-L192 HydrophobicContact CG1-CG 4.3Å; V188-L192 WeakPolarHBondContact O-CB 3.18Å; V188-L192 VanDerWaalsContact O-CG 3.32Å; V188-L192 WeakPolarHBondContact O-CG 3.24Å; V188-L192 PolarHBondContact O-N 3.41Å; L192-S195 PolarHBondContact O-OG 3.41Å; L192-Q196 WeakPolarHBondContact O-CB 3.36Å; L192-Q196 VanDerWaalsContact O-CD 3.28Å; L192-Q196 WeakPolarHBondContact O-CG 3.5Å; L192-Q196 PolarHBondContact O-N 3.3Å; L192-Q196 PolarHBondContact O-OE1 2.82Å
193T81.8Confident75.9Confident10 Ų1041.3 Ų41.36%0.06123%0.226CC..Hα-helixtrans-62.3-49.6171.7-51.80000111.4E189 R190 Y191 I197 R335E189-T193 WeakPolarHBondContact O-CB 3.5Å; E189-T193 PolarHBondContact O-N 2.92Å; E189-T193 PolarHBondContact O-OG1 2.94Å; R190-T193 PolarHBondContact NH2-OG1 3.41Å; R190-T193 WeakPolarHBondContact O-CB 3.49Å; R190-T193 PolarHBondContact O-N 3.44Å; Y191-T193 VanDerWaalsContact C-N 3.31Å; Y191-T193 PolarHBondContact O-N 2.89Å; T193-I197 HydrophobicContact CG2-CD1 3.91Å; T193-I197 WeakPolarHBondContact O-CD1 3.32Å; T193-I197 VanDerWaalsContact O-CG1 3.24Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 3.44Å; T193-I197 VanDerWaalsContact O-N 3.17Å; T193-R335 PolarHBondContact OG1-NH2 2.88Å
194M78.9Confident73.2Confident9 Ų948.9 Ų48.94%0.04426%0.259CS..Hα-helixtrans-68.6-43.3-174.3-70.1-56.9104.100111.8R190 Y191 I197 G198 L450 F453 Q501 T505R190-M194 WeakPolarHBondContact O-CG 3.37Å; R190-M194 PolarHBondContact O-N 3.34Å; Y191-M194 PolarHBondContact O-N 2.98Å; M194-I197 HydrophobicContact CE-CD1 3.96Å; M194-I197 PolarHBondContact O-N 3.45Å; M194-G198 PolarHBondContact O-N 2.92Å; M194-L450 HydrophobicContact CG-CD2 4.14Å; M194-F453 HydrophobicContact CB-CD1 3.81Å; M194-F453 HydrophobicContact CB-CE1 3.71Å; M194-F453 HydrophobicContact CB-CZ 4.35Å; M194-F453 HydrophobicContact CG-CD1 4.49Å; M194-F453 WeakPolarHBondContact O-CE1 3.33Å; M194-F453 WeakPolarHBondContact O-CZ 3.29Å; M194-Q501 HydrophobicContact CE-CB 4.21Å; M194-T505 WeakPolarHBondContact CE-OG1 3.46Å; M194-T505 HydrophobicContact CG-CG2 4Å; M194-T505 HydrophobicContact SD-CG2 4.27Å
195S76.5Confident70.6Confident38 Ų3853.7 Ų53.727%0.26628%0.28SS..Hα-helixtrans-63.9-42.6179.362.80000112.4Y191 L192 I197 G198 S199Y191-S195 WeakPolarHBondContact O-CB 3.48Å; Y191-S195 PolarHBondContact O-N 3.44Å; Y191-S195 PolarHBondContact O-OG 3.27Å; Y191-S195 VanDerWaalsContact O-OG 3.14Å; L192-S195 PolarHBondContact O-OG 3.41Å; S195-I197 PolarHBondContact O-N 2.88Å; S195-G198 WeakPolarHBondContact O-CA 3.47Å; S195-G198 PolarHBondContact O-N 3.44Å; S195-G198 VanDerWaalsContact O-N 3.08Å; S195-S199 PolarHBondContact O-N 2.97Å; S195-S199 PolarHBondContact O-OG 3.22Å
196Q73.8Confident67.9Low67 Ų6762.8 Ų62.831%0.31331%0.31SS..Hα-helixtrans-60.4-41.9173.5-73170.9-3.200112.3L192 G198 S199 V200L192-Q196 WeakPolarHBondContact O-CB 3.36Å; L192-Q196 VanDerWaalsContact O-CD 3.28Å; L192-Q196 WeakPolarHBondContact O-CG 3.5Å; L192-Q196 PolarHBondContact O-N 3.3Å; L192-Q196 PolarHBondContact O-OE1 2.82Å; Q196-G198 VanDerWaalsContact C-N 3.28Å; Q196-G198 PolarHBondContact O-N 3.02Å; Q196-S199 PolarHBondContact O-OG 3.05Å; Q196-V200 WeakPolarHBondContact O-CB 3.29Å; Q196-V200 VanDerWaalsContact O-CG2 3.3Å; Q196-V200 WeakPolarHBondContact O-CG2 3.38Å; Q196-V200 PolarHBondContact O-N 3.44Å
197I72Confident65.2Low34 Ų3469.7 Ų69.717%0.17434%0.344CS..Hα-helixtrans-65.4-35174.5-66.2168.3000110.9T193 M194 S195 C201 W497 Q498 Q501T193-I197 HydrophobicContact CG2-CD1 3.91Å; T193-I197 WeakPolarHBondContact O-CD1 3.32Å; T193-I197 VanDerWaalsContact O-CG1 3.24Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 3.44Å; T193-I197 VanDerWaalsContact O-N 3.17Å; M194-I197 HydrophobicContact CE-CD1 3.96Å; M194-I197 PolarHBondContact O-N 3.45Å; S195-I197 PolarHBondContact O-N 2.88Å; I197-C201 WeakPolarHBondContact O-CB 3.45Å; I197-C201 PolarHBondContact O-N 3.43Å; I197-W497 HydrophobicContact CD1-CH2 3.57Å; I197-W497 HydrophobicContact CD1-CZ3 3.5Å; I197-W497 VanDerWaalsContact CD1-CZ3 3.5Å; I197-W497 HydrophobicContact CG1-CH2 3.96Å; I197-W497 HydrophobicContact CG1-CZ3 3.8Å; I197-Q498 HydrophobicContact CG2-CG 4.06Å; I197-Q501 HydrophobicContact CD1-CB 4.37Å; I197-Q501 HydrophobicContact CD1-CG 4.43Å
198G65.3Low62.3Low13 Ų1375.8 Ų75.813%0.13437%0.373CS..Hα-helixtrans-63.7-51.5175.600000113.5M194 S195 Q196 C201 Q202M194-G198 PolarHBondContact O-N 2.92Å; S195-G198 WeakPolarHBondContact O-CA 3.47Å; S195-G198 PolarHBondContact O-N 3.44Å; S195-G198 VanDerWaalsContact O-N 3.08Å; Q196-G198 VanDerWaalsContact C-N 3.28Å; Q196-G198 PolarHBondContact O-N 3.02Å; G198-C201 WeakPolarHBondContact O-CB 3.49Å; G198-C201 PolarHBondContact O-N 2.86Å; G198-Q202 PolarHBondContact O-N 3.17Å
199S61.7Low59.4Low54 Ų5478.4 Ų78.438%0.37839%0.39SS..Hα-helixtrans-67.7-41.6-177.261.50000112.5S195 Q196 C201 Q202 N203S195-S199 PolarHBondContact O-N 2.97Å; S195-S199 PolarHBondContact O-OG 3.22Å; Q196-S199 PolarHBondContact O-OG 3.05Å; S199-C201 PolarHBondContact O-N 3.17Å; S199-Q202 PolarHBondContact O-N 3.36Å; S199-N203 PolarHBondContact O-N 2.97Å
200V57.5Low56.5Low98 Ų9881.6 Ų81.659%0.59442%0.415SS*.Hα-helixtrans-57.9-37.6172.1170.70000111.1Q196 K204Q196-V200 WeakPolarHBondContact O-CB 3.29Å; Q196-V200 VanDerWaalsContact O-CG2 3.3Å; Q196-V200 WeakPolarHBondContact O-CG2 3.38Å; Q196-V200 PolarHBondContact O-N 3.44Å; V200-K204 VanDerWaalsContact O-CB 3.25Å; V200-K204 WeakPolarHBondContact O-CB 3.24Å; V200-K204 PolarHBondContact O-N 3.2Å
201C48.3Very low53.7Low45 Ų4586.7 Ų86.730%0.30444%0.443SS..Hα-helixtrans-68.5-46.9175.8-155.10000111.5I197 G198 S199 K204 F205I197-C201 WeakPolarHBondContact O-CB 3.45Å; I197-C201 PolarHBondContact O-N 3.43Å; G198-C201 WeakPolarHBondContact O-CB 3.49Å; G198-C201 PolarHBondContact O-N 2.86Å; S199-C201 PolarHBondContact O-N 3.17Å; C201-K204 PolarHBondContact O-N 2.72Å; C201-F205 VanDerWaalsContact O-CD2 3.29Å; C201-F205 WeakPolarHBondContact O-CD2 3.49Å; C201-F205 PolarHBondContact O-N 2.83Å; C201-F205 VanDerWaalsContact O-N 3.08Å
202Q48.4Very low51.1Low105 Ų10588.7 Ų88.749%0.49147%0.465SS..Hα-helixtrans-61.2-45.7178.8-73.6178.1-82.700112.6G198 S199 K204 F205 R206G198-Q202 PolarHBondContact O-N 3.17Å; S199-Q202 PolarHBondContact O-N 3.36Å; Q202-K204 VanDerWaalsContact C-N 3.31Å; Q202-K204 PolarHBondContact O-N 2.99Å; Q202-F205 PolarHBondContact O-N 3.41Å; Q202-R206 WeakPolarHBondContact O-CB 3.27Å; Q202-R206 PolarHBondContact O-N 3.3Å
203N41.7Very low48.6Very low103 Ų10388 Ų8855%0.55147%0.468SS*.Hα-helixtrans-64.4-36.9178.5-69.8-3.8000111.6S199 F205 R206 M207S199-N203 PolarHBondContact O-N 2.97Å; N203-F205 VanDerWaalsContact C-N 3.31Å; N203-F205 PolarHBondContact O-N 3.48Å; N203-R206 PolarHBondContact O-N 3.22Å; N203-M207 PolarHBondContact O-N 3.47Å
204K37.5Very low46.1Very low163 Ų16392.8 Ų92.871%0.70949%0.492SS*.Hα-helixtrans-72.7-20.1178-160166.4-167.7167.90114V200 C201 Q202V200-K204 VanDerWaalsContact O-CB 3.25Å; V200-K204 WeakPolarHBondContact O-CB 3.24Å; V200-K204 PolarHBondContact O-N 3.2Å; C201-K204 PolarHBondContact O-N 2.72Å; Q202-K204 VanDerWaalsContact C-N 3.31Å; Q202-K204 PolarHBondContact O-N 2.99Å
205F37.1Very low43.9Very low105 Ų10599.3 Ų99.346%0.46153%0.526SS..Hα-helixtrans-86.9-36.9167.6-81.7-68.4000112.6C201 Q202 N203 M207 Q208C201-F205 VanDerWaalsContact O-CD2 3.29Å; C201-F205 WeakPolarHBondContact O-CD2 3.49Å; C201-F205 PolarHBondContact O-N 2.83Å; C201-F205 VanDerWaalsContact O-N 3.08Å; Q202-F205 PolarHBondContact O-N 3.41Å; N203-F205 VanDerWaalsContact C-N 3.31Å; N203-F205 PolarHBondContact O-N 3.48Å; F205-M207 PolarHBondContact O-N 2.86Å; F205-Q208 PolarHBondContact O-N 3.15Å
206R33Very low41.8Very low226 Ų226105.2 Ų105.285%0.85355%0.547SS*.Hα-helixtrans-69.4-17.3177.3-160.2175-174-177.71.9113.3Q202 N203Q202-R206 WeakPolarHBondContact O-CB 3.27Å; Q202-R206 PolarHBondContact O-N 3.3Å; N203-R206 PolarHBondContact O-N 3.22Å
207M33.2Very low39.8Very low146 Ų146108 Ų10872%0.71956%0.56SS**THydrogen-bonded Turntrans-101.122.4171.9-70.4-169.6163.300114.3N203 F205 P209N203-M207 PolarHBondContact O-N 3.47Å; F205-M207 PolarHBondContact O-N 2.86Å; M207-P209 WeakPolarHBondContact O-CD 3.5Å
208Q28.9Very low37.9Very low128 Ų128114.6 Ų114.660%0.59859%0.588SS**SBendtrans-82.3113.6152.9-80.2-167.9-114.100108.3F205F205-Q208 PolarHBondContact O-N 3.15Å
209P27.5Very low36.4Very low94 Ų94117.8 Ų117.861%0.6161%0.608SS**  trans-62.8149.3169.827.1-33.6000110.1M207 N211M207-P209 WeakPolarHBondContact O-CD 3.5Å; P209-N211 WeakPolarHBondContact CG-OD1 3.26Å; P209-N211 PolarHBondContact O-N 2.98Å
210S26.5Very low35.1Very low88 Ų88122.1 Ų122.162%0.61562%0.622SS**  trans-7076.4170.942.30000110.3T212 S213S210-T212 PolarHBondContact O-N 3.38Å; S210-S213 PolarHBondContact O-N 2.86Å; S210-S213 PolarHBondContact O-OG 3.06Å
211N29.1Very low34Very low121 Ų121123.9 Ų123.965%0.64763%0.627SS**THydrogen-bonded Turntrans-70.141.1173.3-73.910.3000112.6P209P209-N211 WeakPolarHBondContact CG-OD1 3.26Å; P209-N211 PolarHBondContact O-N 2.98Å
212T30.9Very low33.2Very low132 Ų132129.2 Ų129.281%0.8165%0.651SS**THydrogen-bonded Turntrans-122.1-11.1173.8-31.20000110.6S210S210-T212 PolarHBondContact O-N 3.38Å
213S30.6Very low32.2Very low70 Ų70133.7 Ų133.749%0.4967%0.665SS.*THydrogen-bonded Turntrans-97.8-35.4170.655.40000113.7S210 L215 K216S210-S213 PolarHBondContact O-N 2.86Å; S210-S213 PolarHBondContact O-OG 3.06Å; S213-L215 PolarHBondContact O-N 2.84Å; S213-K216 PolarHBondContact O-N 3.2Å
214L30.7Very low31.8Very low110 Ų110136.7 Ų136.758%0.57668%0.681SS**THydrogen-bonded Turntrans-66-4.9-175.3-150.180.5000114.9
215L30.9Very low31.4Very low145 Ų145134.3 Ų134.376%0.75968%0.681SS**THydrogen-bonded Turntrans-93.1-13.3171.7-97.9164.2000113.9S213S213-L215 PolarHBondContact O-N 2.84Å
216K33Very low31Very low163 Ų163135.8 Ų135.871%0.70969%0.693SS**THydrogen-bonded Turntrans-82.8-41.3166.6-87.6-163.9165.7-161.30111.7S213 K218 S219S213-K216 PolarHBondContact O-N 3.2Å; K216-K218 PolarHBondContact O-N 2.93Å; K216-K218 VanDerWaalsContact O-N 3.09Å; K216-S219 PolarHBondContact O-N 3.42Å; K216-S219 PolarHBondContact O-OG 3.3Å
217Q32.9Very low30.9Very low126 Ų126133.6 Ų133.659%0.58969%0.693SS**THydrogen-bonded Turntrans-73.9-1.6-177-151.7171.716.200114.1I221Q217-I221 WeakPolarHBondContact O-CD1 3.43Å
218K31.5Very low30.7Very low172 Ų172132.1 Ų132.175%0.74870%0.696SS**THydrogen-bonded Turntrans-104.9-3.7176-119.6-170.7178.8-163.20114.6K216K216-K218 PolarHBondContact O-N 2.93Å; K216-K218 VanDerWaalsContact O-N 3.09Å
219S32.6Very low30.6Very low80 Ų80133.5 Ų133.556%0.55971%0.705SS**THydrogen-bonded Turntrans-92.4-23.2170.238.70000113.2K216K216-S219 PolarHBondContact O-N 3.42Å; K216-S219 PolarHBondContact O-OG 3.3Å
220E34.3Very low30.6Very low145 Ų145139.1 Ų139.168%0.67872%0.715SS**G310 helixtrans-86-13.9-176.9-68.1164.2156.200113.4L222E220-L222 VanDerWaalsContact C-N 3.31Å
221I34.6Very low30.8Very low134 Ų134140.3 Ų140.369%0.68772%0.723SS**G310 helixtrans-83.8-7179.3-61.5174.5000111.8Q217 Y223Q217-I221 WeakPolarHBondContact O-CD1 3.43Å; I221-Y223 VanDerWaalsContact C-N 3.33Å; I221-Y223 PolarHBondContact O-N 3.47Å
222L31.5Very low30.7Very low157 Ų157141.9 Ų141.982%0.82273%0.73SS**G310 helixtrans-89.914.3-177.1-149.778.3000114.2E220E220-L222 VanDerWaalsContact C-N 3.31Å
223Y29.1Very low30.6Very low200 Ų200144.1 Ų144.178%0.78473%0.732SS**  trans-126-5.3-172-121.8-84.7000116.2I221 T225I221-Y223 VanDerWaalsContact C-N 3.33Å; I221-Y223 PolarHBondContact O-N 3.47Å; Y223-T225 PolarHBondContact O-N 2.89Å
224N32.7Very low30.3Very low165 Ų165151 Ų15188%0.88275%0.748SS**  trans-94.295.4172.6-82.216.5000110.6
225T29.7Very low30.2Very low114 Ų114154.8 Ų154.870%0.69976%0.763SS**  trans-65.4155.8175.639.50000114.4Y223Y223-T225 PolarHBondContact O-N 2.89Å
226N27.5Very low30Very low136 Ų136156.4 Ų156.473%0.72777%0.767SS**  trans57.3106.4149.8-52.8-9.4000118.5
227H30.3Very low29.8Very low180 Ų180156 Ų15683%0.83378%0.778SS**  -174.6144.9101.5-111.7-94.8000113.6
228S30.7Very low29.5Very low114 Ų114154.5 Ų154.580%0.79778%0.781SS**  trans66.4151161.668.20000121
229M27Very low29.3Very low157 Ų157153 Ų15377%0.77378%0.782SS**  cis-177.9119-47.5163.1171.3168.300110.6
230Y27.5Very low29.4Very low213 Ų213156 Ų15684%0.83580%0.796SS**  trans56.7162.7169.7-67.1-59.1000118.3
231S30.4Very low29Very low112 Ų112156 Ų15678%0.78380%0.801SS**  cis-139.2172-1.920.50000111.8
232I26.6Very low28.9Very low154 Ų154161.5 Ų161.579%0.7981%0.813SS**  trans-124.6146.2-178.9-63.2162.7000108.2
233E28.1Very low28.8Very low180 Ų180163.7 Ų163.784%0.84182%0.816SS**  trans-157.8163.9141.8-147.694.7-10900110.5
234Y25.4Very low28.9Very low213 Ų213160.9 Ų160.984%0.83581%0.813SS**  trans-160.4128.1-168-138.8-77.6000108.6
235Q28.9Very low28.9Very low191 Ų191159 Ų15989%0.89381%0.81SS**  trans-161.8151.8164.6-123.3151.9-200115.7
236E26.5Very low28.8Very low178 Ų178164 Ų16483%0.83282%0.816SS**  trans-117146.8175.4-59.6171.7112.100109.6
237T28.8Very low28.9Very low155 Ų155163.5 Ų163.595%0.95181%0.814SS**  trans-154.6158.315739.70000110
238S26.2Very low28.8Very low94 Ų94161.5 Ų161.566%0.65781%0.809SS**  trans-122174.5-167.258.60000114.9
239D27.3Very low28.7Very low142 Ų142160.8 Ų160.876%0.75980%0.804SS**  trans70.4132155.6-52.4-51.5000121.4
240V34Very low28.7Very low141 Ų141161.5 Ų161.586%0.85581%0.809SS**  168.1142.4116.2157.50000110.8
241D26.7Very low28.8Very low145 Ų145154.2 Ų154.278%0.77580%0.799SS**  trans-64.6155.8-176.1-58.1-93.1000116.7
242R31.5Very low28.7Very low250 Ų250152.6 Ų152.694%0.94379%0.792SS**  -159.6153.8126.4-107.5156.2-159.1-153.34.4115.8
243K30.9Very low28.8Very low204 Ų204148 Ų14889%0.88778%0.778SS**  trans-73161.7-158.5-65.8170.8176.7175.10116.8
244L31.1Very low28.9Very low140 Ų140147 Ų14773%0.73377%0.773SS**  trans-61.5165.7170.3-146.682.6000114R246L244-R246 HydrophobicContact CD2-CG 3.82Å
245P32Very low29.1Very low125 Ų125144 Ų14481%0.81277%0.767SS**  -131.6163.6111.438.6-32.6000114.7
246R28.2Very low29.2Very low219 Ų219137.6 Ų137.683%0.82674%0.743SS**  trans-87.7151.5174.3-59.4175.8178.8158.8-2.3110.6L244L244-R246 HydrophobicContact CD2-CG 3.82Å
247N28.7Very low29.6Very low126 Ų126134 Ų13467%0.67473%0.728SS**  -174158104.9-108.336.7000111.9
248D27.2Very low29.7Very low138 Ų138132.9 Ų132.974%0.73871%0.714SS**  trans45.5132.6148.6-47.4-30.1000119.9
249S29Very low30Very low100 Ų100134.8 Ų134.870%0.69971%0.712SS**  cis-161.3137.31345.60000113.1G251S249-G251 VanDerWaalsContact C-N 3.26Å; S249-G251 PolarHBondContact O-N 3.06Å
250I28.6Very low30.3Very low171 Ų171133.7 Ų133.788%0.87770%0.703SS**  trans43.3-23.2135.2-60.2177.2000122.3
251G28.5Very low30.3Very low60 Ų60133 Ų13362%0.61969%0.69SS**THydrogen-bonded Turntrans-78.5-31.7-170.700000117.5S249 A253S249-G251 VanDerWaalsContact C-N 3.26Å; S249-G251 PolarHBondContact O-N 3.06Å; G251-A253 VanDerWaalsContact C-N 3.29Å; G251-A253 PolarHBondContact O-N 3.09Å
252A28.2Very low30.7Very low78 Ų78132.1 Ų132.165%0.64568%0.681SS**Hα-helixtrans-79.1-0.8-166.300000116.1S256A252-S256 PolarHBondContact O-OG 3.05Å
253A29Very low30.8Very low58 Ų58125.9 Ų125.948%0.47966%0.663SS.*Hα-helixtrans-82.5-32.3-172.700000113.9G251 S256 I257G251-A253 VanDerWaalsContact C-N 3.29Å; G251-A253 PolarHBondContact O-N 3.09Å; A253-S256 PolarHBondContact O-OG 3.23Å; A253-I257 WeakPolarHBondContact O-CD1 3.27Å; A253-I257 VanDerWaalsContact O-CG1 3.29Å; A253-I257 WeakPolarHBondContact O-CG1 3.32Å
254E30.2Very low30.9Very low159 Ų159122.5 Ų122.574%0.74364%0.644SS**Hα-helixtrans-82.1-37.1-177.3-64.3-170.2118.300112.3S256 I257 M258E254-S256 PolarHBondContact O-N 3.32Å; E254-I257 PolarHBondContact O-N 2.56Å; E254-I257 VanDerWaalsContact O-N 3.17Å; E254-M258 WeakPolarHBondContact O-CG 3.14Å; E254-M258 PolarHBondContact O-N 3.05Å
255E30.7Very low31Very low150 Ų150121.1 Ų121.170%0.70163%0.634SS**Hα-helixtrans-64.6-41-180-163.1164.1-133.200111.8I257 M258 E259E255-I257 VanDerWaalsContact C-N 3.31Å; E255-I257 PolarHBondContact O-N 3.05Å; E255-M258 WeakPolarHBondContact O-CB 3.5Å; E255-M258 PolarHBondContact O-N 3.41Å; E255-E259 PolarHBondContact O-N 3.11Å
256S29.2Very low31.1Very low56 Ų56118.5 Ų118.539%0.39261%0.611SS.*Hα-helixtrans-72.1-19.7175.255.70000114.2A252 A253 E254 Q260A252-S256 PolarHBondContact O-OG 3.05Å; A253-S256 PolarHBondContact O-OG 3.23Å; E254-S256 PolarHBondContact O-N 3.32Å; S256-Q260 WeakPolarHBondContact O-CG 3.5Å; S256-Q260 PolarHBondContact O-N 3.49Å
257I35.5Very low31.4Very low102 Ų102114 Ų11452%0.52360%0.6SS.*Hα-helixtrans-79.3-42.6169.4-70.1170000110.3A253 E254 E255 E259 Q260 E261A253-I257 WeakPolarHBondContact O-CD1 3.27Å; A253-I257 VanDerWaalsContact O-CG1 3.29Å; A253-I257 WeakPolarHBondContact O-CG1 3.32Å; E254-I257 PolarHBondContact O-N 2.56Å; E254-I257 VanDerWaalsContact O-N 3.17Å; E255-I257 VanDerWaalsContact C-N 3.31Å; E255-I257 PolarHBondContact O-N 3.05Å; I257-E259 PolarHBondContact O-N 3.23Å; I257-Q260 PolarHBondContact O-N 3.11Å; I257-Q260 VanDerWaalsContact O-N 3.17Å; I257-E261 PolarHBondContact O-N 3.5Å
258M30.8Very low31.7Very low132 Ų132110.4 Ų110.465%0.6558%0.582SS**Hα-helixtrans-57.2-47.2174.9-78.7-77.4-74.800112E254 E255 Q260 E261 Q262E254-M258 WeakPolarHBondContact O-CG 3.14Å; E254-M258 PolarHBondContact O-N 3.05Å; E255-M258 WeakPolarHBondContact O-CB 3.5Å; E255-M258 PolarHBondContact O-N 3.41Å; M258-Q260 VanDerWaalsContact C-N 3.34Å; M258-Q260 PolarHBondContact O-N 3.43Å; M258-E261 PolarHBondContact O-N 3.45Å; M258-Q262 WeakPolarHBondContact O-CB 3.35Å; M258-Q262 PolarHBondContact O-N 3.2Å
259E33.2Very low32.2Very low134 Ų134107.7 Ų107.763%0.62657%0.571SS**Hα-helixtrans-61.4-40.2175.2-72.7-159.2131.500112.4E255 I257 Q262 H263E255-E259 PolarHBondContact O-N 3.11Å; I257-E259 PolarHBondContact O-N 3.23Å; E259-Q262 PolarHBondContact O-N 3.05Å; E259-H263 WeakPolarHBondContact O-CB 3.4Å; E259-H263 PolarHBondContact O-N 2.84Å
260Q33.3Very low32.7Very low120 Ų120105.9 Ų105.956%0.56156%0.555SS**Hα-helixtrans-68.5-37.5178-76.9-17340.200113.1S256 I257 M258 H263 R264S256-Q260 WeakPolarHBondContact O-CG 3.5Å; S256-Q260 PolarHBondContact O-N 3.49Å; I257-Q260 PolarHBondContact O-N 3.11Å; I257-Q260 VanDerWaalsContact O-N 3.17Å; M258-Q260 VanDerWaalsContact C-N 3.34Å; M258-Q260 PolarHBondContact O-N 3.43Å; Q260-H263 PolarHBondContact O-N 2.96Å; Q260-R264 VanDerWaalsContact O-CG 3.3Å; Q260-R264 WeakPolarHBondContact O-CG 3.22Å; Q260-R264 PolarHBondContact O-N 2.91Å
261E34.9Very low33.2Very low125 Ų125103.6 Ų103.658%0.58455%0.545SS*.Hα-helixtrans-69.1-40.3173.6-70.2-144.1115.400111.7I257 M258 H263 R264 E265I257-E261 PolarHBondContact O-N 3.5Å; M258-E261 PolarHBondContact O-N 3.45Å; E261-H263 VanDerWaalsContact C-N 3.31Å; E261-H263 PolarHBondContact O-N 3.46Å; E261-R264 WeakPolarHBondContact O-CA 3.44Å; E261-R264 WeakPolarHBondContact O-CB 3.5Å; E261-R264 PolarHBondContact O-N 3.44Å; E261-E265 PolarHBondContact O-N 3.01Å
262Q33.4Very low33.7Very low127 Ų127107 Ų10759%0.59355%0.549SS*.Hα-helixtrans-62.2-39.8174.4-163172.811.800111.3M258 E259 E265 Q266M258-Q262 WeakPolarHBondContact O-CB 3.35Å; M258-Q262 PolarHBondContact O-N 3.2Å; E259-Q262 PolarHBondContact O-N 3.05Å; Q262-E265 PolarHBondContact O-N 3.15Å; Q262-Q266 WeakPolarHBondContact O-CG 3.23Å; Q262-Q266 PolarHBondContact O-N 3.06Å
263H34.3Very low34.7Very low119 Ų119106.5 Ų106.555%0.55154%0.535SS*.Hα-helixtrans-64-36.7171.1-115.3-67.4000112.8E259 Q260 E261 Q266 Q267E259-H263 WeakPolarHBondContact O-CB 3.4Å; E259-H263 PolarHBondContact O-N 2.84Å; Q260-H263 PolarHBondContact O-N 2.96Å; E261-H263 VanDerWaalsContact C-N 3.31Å; E261-H263 PolarHBondContact O-N 3.46Å; H263-Q266 PolarHBondContact O-N 3.36Å; H263-Q267 WeakPolarHBondContact O-CB 3.3Å; H263-Q267 PolarHBondContact O-N 3.38Å
264R32.2Very low35.2Very low134 Ų134110.7 Ų110.751%0.50654%0.542SS..Hα-helixtrans-68.8-39.9175.6-74.3172.8-176.5-135.31.3112.7Q260 E261 Q266 Q267 T268 S660Q260-R264 VanDerWaalsContact O-CG 3.3Å; Q260-R264 WeakPolarHBondContact O-CG 3.22Å; Q260-R264 PolarHBondContact O-N 2.91Å; E261-R264 WeakPolarHBondContact O-CA 3.44Å; E261-R264 WeakPolarHBondContact O-CB 3.5Å; E261-R264 PolarHBondContact O-N 3.44Å; R264-Q266 VanDerWaalsContact C-N 3.35Å; R264-Q267 PolarHBondContact O-N 3.23Å; R264-T268 WeakPolarHBondContact O-CB 3.23Å; R264-T268 WeakPolarHBondContact O-CG2 3.23Å; R264-T268 PolarHBondContact O-N 3.5Å; R264-T268 PolarHBondContact O-OG1 2.81Å; R264-S660 PolarHBondContact NH1-OG 3.44Å
265E33.3Very low36Very low110 Ų110108.6 Ų108.651%0.51453%0.528SS..Hα-helixtrans-67-35.1173.8-66.7-146.1141.300111.6E261 Q262 T268 T269 K656E261-E265 PolarHBondContact O-N 3.01Å; Q262-E265 PolarHBondContact O-N 3.15Å; E265-T268 WeakPolarHBondContact CA-OG1 3.47Å; E265-T268 PolarHBondContact O-OG1 3.43Å; E265-T268 VanDerWaalsContact O-OG1 3.14Å; E265-T269 WeakPolarHBondContact O-CG2 3.27Å; E265-T269 PolarHBondContact O-N 2.83Å; E265-T269 VanDerWaalsContact O-N 3.1Å; E265-T269 PolarHBondContact O-OG1 3.04Å; E265-K656 IonicContact OE1-NZ 3.6Å; E265-K656 PolarHBondContact OE1-NZ 3.48Å; E265-K656 IonicContact OE2-NZ 3.63Å; E265-K656 PolarHBondContact OE2-NZ 3.38Å
266Q33.8Very low36.5Very low70 Ų70103.6 Ų103.633%0.32750%0.503SS..Hα-helixtrans-66.9-41.6170.6-69.7179.424.100112.8Q262 H263 R264 T268 T269 V270Q262-Q266 WeakPolarHBondContact O-CG 3.23Å; Q262-Q266 PolarHBondContact O-N 3.06Å; H263-Q266 PolarHBondContact O-N 3.36Å; R264-Q266 VanDerWaalsContact C-N 3.35Å; Q266-T268 VanDerWaalsContact C-N 3.32Å; Q266-T268 PolarHBondContact O-N 3.18Å; Q266-T269 PolarHBondContact O-OG1 3.41Å; Q266-V270 PolarHBondContact O-N 2.8Å
267Q35.6Very low37.1Very low126 Ų126107.1 Ų107.159%0.58951%0.511SS*.Hα-helixtrans-66.1-34.3179.1-145.589.3-38.200112.3H263 R264 N271H263-Q267 WeakPolarHBondContact O-CB 3.3Å; H263-Q267 PolarHBondContact O-N 3.38Å; R264-Q267 PolarHBondContact O-N 3.23Å; Q267-N271 PolarHBondContact O-ND2 2.84Å
268T35.7Very low37.5Very low50 Ų50106.6 Ų106.631%0.30751%0.505SS..Hα-helixtrans-81.7-34.5-17850.20000113.1R264 E265 Q266 N271 N272 L658R264-T268 WeakPolarHBondContact O-CB 3.23Å; R264-T268 WeakPolarHBondContact O-CG2 3.23Å; R264-T268 PolarHBondContact O-N 3.5Å; R264-T268 PolarHBondContact O-OG1 2.81Å; E265-T268 WeakPolarHBondContact CA-OG1 3.47Å; E265-T268 PolarHBondContact O-OG1 3.43Å; E265-T268 VanDerWaalsContact O-OG1 3.14Å; Q266-T268 VanDerWaalsContact C-N 3.32Å; Q266-T268 PolarHBondContact O-N 3.18Å; T268-N271 PolarHBondContact O-N 3.04Å; T268-N272 PolarHBondContact O-N 2.93Å; T268-N272 VanDerWaalsContact O-N 3.12Å; T268-N272 PolarHBondContact O-ND2 3.06Å; T268-N272 VanDerWaalsContact O-ND2 3.12Å; T268-L658 HydrophobicContact CG2-CD2 3.91Å
269T36.8Very low38Very low81 Ų81100.6 Ų100.650%0.49748%0.475SS..Hα-helixtrans-60.2-47.3172.945.10000111.6E265 Q266 N271 N272 L273E265-T269 WeakPolarHBondContact O-CG2 3.27Å; E265-T269 PolarHBondContact O-N 2.83Å; E265-T269 VanDerWaalsContact O-N 3.1Å; E265-T269 PolarHBondContact O-OG1 3.04Å; Q266-T269 PolarHBondContact O-OG1 3.41Å; T269-N271 VanDerWaalsContact C-N 3.29Å; T269-N271 PolarHBondContact O-N 3.28Å; T269-N272 PolarHBondContact O-N 2.68Å; T269-N272 VanDerWaalsContact O-N 3.14Å; T269-L273 WeakPolarHBondContact O-CD1 3.47Å
270V40.5Very low38.5Very low62 Ų6296 Ų9638%0.37646%0.458SS..Hα-helixtrans-57.9-38.6176.61760000112.5Q266 L273 Y276Q266-V270 PolarHBondContact O-N 2.8Å; V270-L273 PolarHBondContact O-N 3.35Å; V270-Y276 HydrophobicContact CG1-CD1 4.32Å; V270-Y276 HydrophobicContact CG1-CE1 3.99Å
271N38.8Very low39Very low123 Ų12396.7 Ų96.766%0.65847%0.465SS*.Hα-helixtrans-72.8-27.8179.1-82.1-57000113.8Q267 T268 T269 L273Q267-N271 PolarHBondContact O-ND2 2.84Å; T268-N271 PolarHBondContact O-N 3.04Å; T269-N271 VanDerWaalsContact C-N 3.29Å; T269-N271 PolarHBondContact O-N 3.28Å; N271-L273 VanDerWaalsContact C-N 3.26Å; N271-L273 PolarHBondContact O-N 3.38Å
272N39Very low39.2Very low131 Ų13195 Ų9570%0.70147%0.466SS*.Hα-helixtrans-73.3-14.9176.5-81.5-47.5000113.6T268 T269 K274T268-N272 PolarHBondContact O-N 2.93Å; T268-N272 VanDerWaalsContact O-N 3.12Å; T268-N272 PolarHBondContact O-ND2 3.06Å; T268-N272 VanDerWaalsContact O-ND2 3.12Å; T269-N272 PolarHBondContact O-N 2.68Å; T269-N272 VanDerWaalsContact O-N 3.14Å; N272-K274 VanDerWaalsContact C-N 3.31Å; N272-K274 PolarHBondContact O-N 3.41Å
273L48.1Very low39.5Very low67 Ų6789.7 Ų89.735%0.35144%0.443SS..  trans-71.784.6175-90.655.6000111.2T269 V270 N271 W275 Y276T269-L273 WeakPolarHBondContact O-CD1 3.47Å; V270-L273 PolarHBondContact O-N 3.35Å; N271-L273 VanDerWaalsContact C-N 3.26Å; N271-L273 PolarHBondContact O-N 3.38Å; L273-W275 HydrophobicContact CD2-CH2 4.48Å; L273-W275 HydrophobicContact CD2-CZ2 3.55Å; L273-W275 HydrophobicContact CG-CZ2 4.34Å; L273-W275 PolarHBondContact O-N 3.19Å; L273-Y276 VanDerWaalsContact O-CB 3.28Å; L273-Y276 WeakPolarHBondContact O-CB 3.29Å; L273-Y276 PolarHBondContact O-N 3.3Å
274K40.6Very low39.8Very low146 Ų14689.3 Ų89.364%0.63545%0.445SS*.THydrogen-bonded Turntrans-54.3-16176.6-149.1172-171.6174.60114.4H14 N272H14-K274 PolarHBondContact NE2-NZ 3.2Å; N272-K274 VanDerWaalsContact C-N 3.31Å; N272-K274 PolarHBondContact O-N 3.41Å
275W47Very low40.5Very low116 Ų11687.2 Ų87.244%0.43944%0.444SS..THydrogen-bonded Turntrans-86.1-33.1171.567.3-101.1000113.5L273 K277 K278 L279L273-W275 HydrophobicContact CD2-CH2 4.48Å; L273-W275 HydrophobicContact CD2-CZ2 3.55Å; L273-W275 HydrophobicContact CG-CZ2 4.34Å; L273-W275 PolarHBondContact O-N 3.19Å; W275-K277 VanDerWaalsContact C-N 3.33Å; W275-K277 PolarHBondContact O-N 3.26Å; W275-K278 CarbonylContact O-C 3.53Å; W275-K278 WeakPolarHBondContact O-CA 3.27Å; W275-K278 WeakPolarHBondContact O-CB 3.41Å; W275-K278 PolarHBondContact O-N 2.97Å; W275-L279 HydrophobicContact CE3-CB 4.45Å; W275-L279 HydrophobicContact CE3-CD1 4.07Å; W275-L279 HydrophobicContact CZ3-CD1 4.21Å; W275-L279 PolarHBondContact O-N 2.94Å
276Y40.9Very low40.8Very low45 Ų4585.1 Ų85.118%0.17644%0.441CS..Hα-helixtrans-61.7-42.9178.8-169.8-100.6000110.8V270 L273 K278 L279 S280 L288V270-Y276 HydrophobicContact CG1-CD1 4.32Å; V270-Y276 HydrophobicContact CG1-CE1 3.99Å; L273-Y276 VanDerWaalsContact O-CB 3.28Å; L273-Y276 WeakPolarHBondContact O-CB 3.29Å; L273-Y276 PolarHBondContact O-N 3.3Å; Y276-K278 PolarHBondContact O-N 3.14Å; Y276-L279 PolarHBondContact O-N 3.48Å; Y276-S280 PolarHBondContact O-N 2.92Å; Y276-L288 HydrophobicContact CD1-CD2 4.14Å; Y276-L288 HydrophobicContact CD2-CD2 4.17Å; Y276-L288 HydrophobicContact CD2-CG 4.39Å; Y276-L288 HydrophobicContact CE1-CD2 3.73Å; Y276-L288 HydrophobicContact CE1-CG 4.36Å; Y276-L288 HydrophobicContact CE2-CD1 4.19Å; Y276-L288 HydrophobicContact CE2-CD2 3.76Å; Y276-L288 HydrophobicContact CE2-CG 3.65Å; Y276-L288 HydrophobicContact CG-CD2 4.35Å; Y276-L288 PolarHBondContact OH-O 3.02Å
277K42.3Very low41.3Very low129 Ų12985.2 Ų85.256%0.56145%0.446SS*.Hα-helixtrans-70.9-9.9173.3-153.6168-172.9170.90114.3W275 S280 N281W275-K277 VanDerWaalsContact C-N 3.33Å; W275-K277 PolarHBondContact O-N 3.26Å; K277-S280 PolarHBondContact O-OG 3.49Å; K277-N281 PolarHBondContact O-ND2 3.24Å
278K43Very low41.7Very low91 Ų9179.4 Ų79.440%0.39642%0.419SS..Hα-helixtrans-87.8-39163.4-76.3-171.8171.4-171.80111.1S112 W275 Y276 N281 Y332S112-K278 PolarHBondContact OG-NZ 3.35Å; W275-K278 CarbonylContact O-C 3.53Å; W275-K278 WeakPolarHBondContact O-CA 3.27Å; W275-K278 WeakPolarHBondContact O-CB 3.41Å; W275-K278 PolarHBondContact O-N 2.97Å; Y276-K278 PolarHBondContact O-N 3.14Å; K278-N281 WeakPolarHBondContact O-CB 3.41Å; K278-N281 PolarHBondContact O-N 3.02Å; K278-N281 PolarHBondContact O-ND2 3.15Å; K278-Y332 WeakPolarHBondContact CD-OH 3.39Å
279L41.8Very low42.1Very low6 Ų683.2 Ų83.23%0.03143%0.432CS..Hα-helixtrans-71-28.6-175.4-141115.4000113.5W275 Y276 N281 C282 C283 L288 L325 I329W275-L279 HydrophobicContact CE3-CB 4.45Å; W275-L279 HydrophobicContact CE3-CD1 4.07Å; W275-L279 HydrophobicContact CZ3-CD1 4.21Å; W275-L279 PolarHBondContact O-N 2.94Å; Y276-L279 PolarHBondContact O-N 3.48Å; L279-N281 PolarHBondContact O-N 3.31Å; L279-N281 VanDerWaalsContact O-N 3.15Å; L279-C282 PolarHBondContact O-N 2.99Å; L279-C283 PolarHBondContact O-N 3.14Å; L279-L288 HydrophobicContact CD2-CD1 3.85Å; L279-L325 HydrophobicContact CD2-CD1 3.42Å; L279-L325 VanDerWaalsContact CD2-CD1 3.42Å; L279-I329 HydrophobicContact CD1-CG1 3.92Å; L279-I329 HydrophobicContact CD2-CD1 4.24Å; L279-I329 HydrophobicContact CD2-CG1 3.61Å; L279-I329 HydrophobicContact CG-CG1 4.42Å
280S42.7Very low42.5Very low38 Ų3885.4 Ų85.427%0.26644%0.436SS..THydrogen-bonded Turntrans-59.8-15.9169.958.40000114.6Y276 K277 C282Y276-S280 PolarHBondContact O-N 2.92Å; K277-S280 PolarHBondContact O-OG 3.49Å; S280-C282 VanDerWaalsContact C-N 3.34Å
281N43.9Very low42.7Very low134 Ų13486 Ų8672%0.71744%0.435SS*.THydrogen-bonded Turntrans-82.9-12.6172.5-58.1-70.4000113.1K277 K278 L279K277-N281 PolarHBondContact O-ND2 3.24Å; K278-N281 WeakPolarHBondContact O-CB 3.41Å; K278-N281 PolarHBondContact O-N 3.02Å; K278-N281 PolarHBondContact O-ND2 3.15Å; L279-N281 PolarHBondContact O-N 3.31Å; L279-N281 VanDerWaalsContact O-N 3.15Å
282C39Very low43Very low89 Ų8982.1 Ų82.160%0.60142%0.42SS*.THydrogen-bonded Turntrans-106.8-29.3-178.6-62.20000112.9L279 S280L279-C282 PolarHBondContact O-N 2.99Å; S280-C282 VanDerWaalsContact C-N 3.34Å
283C39.3Very low43.1Very low17 Ų1785.6 Ų85.612%0.11542%0.423CS..SBendtrans-122.4151-177.1-71.90000112L279 L285 L325L279-C283 PolarHBondContact O-N 3.14Å; C283-L285 PolarHBondContact O-N 3.48Å; C283-L325 HydrophobicContact CB-CD1 3.95Å; C283-L325 VanDerWaalsContact SG-CD1 3.59Å
284N42.3Very low42.9Very low111 Ų11188.4 Ų88.459%0.59444%0.438SS*.  trans-64131.5178.1-169.93.6000110.6S286 V287 L288N284-S286 PolarHBondContact ND2-OG 3.42Å; N284-S286 PolarHBondContact O-N 3.29Å; N284-V287 HydrophobicContact CB-CG2 4.23Å; N284-V287 PolarHBondContact O-N 2.97Å; N284-L288 PolarHBondContact O-N 3.05Å; N284-L288 VanDerWaalsContact O-N 3.09Å
285L45.4Very low43.2Very low89 Ų8984.5 Ų84.547%0.46643%0.429SS..Hα-helixtrans-62.9-28.8-171-172.169.7000112.9C283 L288 K289C283-L285 PolarHBondContact O-N 3.48Å; L285-L288 HydrophobicContact CD1-CD2 4.31Å; L285-L288 PolarHBondContact O-N 2.73Å; L285-K289 WeakPolarHBondContact O-CG 3.21Å; L285-K289 PolarHBondContact O-N 3.46Å
286S40.7Very low42.8Very low66 Ų6684.7 Ų84.746%0.46244%0.438SS..Hα-helixtrans-63.3-47.2172.753.50000112.3N284 L288 K289 Q290N284-S286 PolarHBondContact ND2-OG 3.42Å; N284-S286 PolarHBondContact O-N 3.29Å; S286-L288 VanDerWaalsContact C-N 3.31Å; S286-L288 PolarHBondContact O-N 3.48Å; S286-K289 PolarHBondContact O-N 3.02Å; S286-Q290 WeakPolarHBondContact O-CB 3.43Å; S286-Q290 PolarHBondContact O-N 3.41Å
287V43.5Very low42.7Very low72 Ų7288.3 Ų88.344%0.43647%0.466SS..Hα-helixtrans-63.8-39.3177.5-177.80000110.7N284 Q290 H291N284-V287 HydrophobicContact CB-CG2 4.23Å; N284-V287 PolarHBondContact O-N 2.97Å; V287-Q290 PolarHBondContact O-N 3.29Å; V287-H291 WeakPolarHBondContact O-CB 3.15Å; V287-H291 PolarHBondContact O-N 3.38Å
288L45Very low42.6Very low5 Ų589.6 Ų89.63%0.02648%0.479CS..Hα-helixtrans-62.4-47176.9-158.376.7000111.5Y276 L279 N284 L285 S286 A292 L325Y276-L288 HydrophobicContact CD1-CD2 4.14Å; Y276-L288 HydrophobicContact CD2-CD2 4.17Å; Y276-L288 HydrophobicContact CD2-CG 4.39Å; Y276-L288 HydrophobicContact CE1-CD2 3.73Å; Y276-L288 HydrophobicContact CE1-CG 4.36Å; Y276-L288 HydrophobicContact CE2-CD1 4.19Å; Y276-L288 HydrophobicContact CE2-CD2 3.76Å; Y276-L288 HydrophobicContact CE2-CG 3.65Å; Y276-L288 HydrophobicContact CG-CD2 4.35Å; Y276-L288 PolarHBondContact OH-O 3.02Å; L279-L288 HydrophobicContact CD2-CD1 3.85Å; N284-L288 PolarHBondContact O-N 3.05Å; N284-L288 VanDerWaalsContact O-N 3.09Å; L285-L288 HydrophobicContact CD1-CD2 4.31Å; L285-L288 PolarHBondContact O-N 2.73Å; S286-L288 VanDerWaalsContact C-N 3.31Å; S286-L288 PolarHBondContact O-N 3.48Å; L288-A292 WeakPolarHBondContact O-CB 3.23Å; L288-A292 PolarHBondContact O-N 2.85Å; L288-L325 HydrophobicContact CD1-CD1 3.62Å; L288-L325 HydrophobicContact CD1-CD2 4.01Å; L288-L325 HydrophobicContact CD1-CG 4.49Å
289K44.1Very low42.4Very low129 Ų12993.5 Ų93.556%0.56150%0.502SS*.Hα-helixtrans-63.7-40.2175.5-75.9-175.1175.4-170.30112.7L285 S286 A292 R293L285-K289 WeakPolarHBondContact O-CG 3.21Å; L285-K289 PolarHBondContact O-N 3.46Å; S286-K289 PolarHBondContact O-N 3.02Å; K289-A292 PolarHBondContact O-N 3.44Å; K289-R293 PolarHBondContact O-N 2.98Å
290Q44.8Very low42.4Very low128 Ų12896.5 Ų96.560%0.59852%0.522SS*.Hα-helixtrans-73.7-38.4-176.4-164.5163.17.600112.2S286 V287 A292 R293 N294S286-Q290 WeakPolarHBondContact O-CB 3.43Å; S286-Q290 PolarHBondContact O-N 3.41Å; V287-Q290 PolarHBondContact O-N 3.29Å; Q290-A292 VanDerWaalsContact C-N 3.31Å; Q290-A292 PolarHBondContact O-N 3.05Å; Q290-R293 PolarHBondContact O-N 3.47Å; Q290-N294 PolarHBondContact O-N 3.36Å; Q290-N294 PolarHBondContact O-OD1 3.12Å; Q290-N294 VanDerWaalsContact O-OD1 3.13Å
291H45Very low42.4Very low74 Ų7498.2 Ų98.234%0.34353%0.531SS..Hα-helixtrans-69.1-30.3174.9-150.8-30.9000112.5V287 N294 S295 L325V287-H291 WeakPolarHBondContact O-CB 3.15Å; V287-H291 PolarHBondContact O-N 3.38Å; H291-N294 PolarHBondContact O-N 2.84Å; H291-S295 PolarHBondContact O-OG 3.14Å; H291-L325 HydrophobicContact CB-CD2 3.76Å
292A44.3Very low42.2Very low41 Ų4196.8 Ų96.834%0.33953%0.529SS..Hα-helixtrans-68.8-36.4175.300000113.3L288 K289 Q290L288-A292 WeakPolarHBondContact O-CB 3.23Å; L288-A292 PolarHBondContact O-N 2.85Å; K289-A292 PolarHBondContact O-N 3.44Å; Q290-A292 VanDerWaalsContact C-N 3.31Å; Q290-A292 PolarHBondContact O-N 3.05Å
293R40.7Very low42.2Very low205 Ų205100.8 Ų100.877%0.77454%0.536SS*.Hα-helixtrans-65.1-40.3173.2-72.8-179.1178.6-175.8-3.2112K289 Q290 S295K289-R293 PolarHBondContact O-N 2.98Å; Q290-R293 PolarHBondContact O-N 3.47Å; R293-S295 PolarHBondContact O-N 3.12Å
294N44.8Very low42.4Very low125 Ų125102.3 Ų102.367%0.66855%0.547SS*.THydrogen-bonded Turntrans-8519-173.4-66.434.8000114Q290 H291Q290-N294 PolarHBondContact O-N 3.36Å; Q290-N294 PolarHBondContact O-OD1 3.12Å; Q290-N294 VanDerWaalsContact O-OD1 3.13Å; H291-N294 PolarHBondContact O-N 2.84Å
295S47.3Very low42.4Very low64 Ų64100.2 Ų100.245%0.44854%0.535SS..THydrogen-bonded Turntrans-14330.5-177.8-580000112.1H291 R293 T297H291-S295 PolarHBondContact O-OG 3.14Å; R293-S295 PolarHBondContact O-N 3.12Å; S295-T297 VanDerWaalsContact C-N 3.29Å; S295-T297 PolarHBondContact O-N 3.1Å
296L38Very low42Very low120 Ų12099.6 Ų99.663%0.62854%0.537SS*.  trans-91.232.7-170.6-146.574.2000114.1
297T38.5Very low41.8Very low122 Ų122101.7 Ų101.775%0.74854%0.542SS*.SBendtrans-129.6119.1170.748.40000109.6S295S295-T297 VanDerWaalsContact C-N 3.29Å; S295-T297 PolarHBondContact O-N 3.1Å
298N40.2Very low41.6Very low156 Ų156103.9 Ų103.983%0.83455%0.551SS**SBendtrans62.9128.2-175.3-60.3-38.2000116.3P300N298-P300 WeakPolarHBondContact O-CD 3.21Å
299I40.2Very low41.4Very low172 Ų172106 Ų10688%0.88256%0.561SS**  trans-71113.3-178.8-58.9172.3000110
300P40.1Very low41.1Very low70 Ų70108.8 Ų108.846%0.45557%0.573SS.*  trans-87.7125.5-176.733.3-30000111.2N298 L305N298-P300 WeakPolarHBondContact O-CD 3.21Å; P300-L305 HydrophobicContact CB-CD1 3.95Å; P300-L305 HydrophobicContact CB-CG 3.96Å; P300-L305 HydrophobicContact CG-CD1 3.93Å; P300-L305 HydrophobicContact CG-CG 4.33Å
301T43.2Very low40.9Very low74 Ų74108.8 Ų108.845%0.45458%0.576SS.*  trans-69.7155.9168.868.90000110.2K303 S304 L305T301-K303 PolarHBondContact O-N 2.93Å; T301-K303 PolarHBondContact OG1-N 3.15Å; T301-S304 PolarHBondContact N-OG 2.89Å; T301-S304 PolarHBondContact O-N 3.36Å; T301-S304 VanDerWaalsContact O-N 3.09Å; T301-S304 PolarHBondContact O-OG 2.89Å; T301-S304 PolarHBondContact OG1-N 3.06Å; T301-S304 PolarHBondContact OG1-OG 2.93Å; T301-L305 PolarHBondContact O-N 3.37Å
302P40.6Very low40.7Very low104 Ų104112.8 Ų112.868%0.67560%0.595SS**THydrogen-bonded Turntrans-61.5-14.8172.324.7-34.4000113.6
303K37.6Very low40.6Very low172 Ų172117.1 Ų117.175%0.74861%0.608SS**THydrogen-bonded Turntrans-79.9-47.9168.9-74.1-172.7174.7-1760112T301 L305 C306 I307T301-K303 PolarHBondContact O-N 2.93Å; T301-K303 PolarHBondContact OG1-N 3.15Å; K303-L305 VanDerWaalsContact C-N 3.35Å; K303-L305 PolarHBondContact O-N 3.36Å; K303-C306 VanDerWaalsContact O-CB 3.27Å; K303-C306 WeakPolarHBondContact O-CB 3.21Å; K303-C306 PolarHBondContact O-N 2.94Å; K303-I307 PolarHBondContact O-N 3.3Å
304S43.9Very low40.3Very low49 Ų49111.9 Ų111.934%0.34360%0.603SS.*Hα-helixtrans-67.2-34.3-179.758.50000112.7T301 C306 I307 L308T301-S304 PolarHBondContact N-OG 2.89Å; T301-S304 PolarHBondContact O-N 3.36Å; T301-S304 VanDerWaalsContact O-N 3.09Å; T301-S304 PolarHBondContact O-OG 2.89Å; T301-S304 PolarHBondContact OG1-N 3.06Å; T301-S304 PolarHBondContact OG1-OG 2.93Å; S304-C306 PolarHBondContact O-N 3.45Å; S304-I307 PolarHBondContact O-N 2.91Å; S304-L308 WeakPolarHBondContact O-CB 3.12Å; S304-L308 PolarHBondContact O-N 2.92Å
305L42Very low39.7Very low68 Ų68113.5 Ų113.536%0.35661%0.606SS.*Hα-helixtrans-58.6-26.6168.7-97.2154.8000114P300 T301 K303 H309P300-L305 HydrophobicContact CB-CD1 3.95Å; P300-L305 HydrophobicContact CB-CG 3.96Å; P300-L305 HydrophobicContact CG-CD1 3.93Å; P300-L305 HydrophobicContact CG-CG 4.33Å; T301-L305 PolarHBondContact O-N 3.37Å; K303-L305 VanDerWaalsContact C-N 3.35Å; K303-L305 PolarHBondContact O-N 3.36Å; L305-H309 WeakPolarHBondContact O-CB 3.41Å
306C36.6Very low39.2Very low75 Ų75119 Ų11951%0.50763%0.63SS.*Hα-helixtrans-79.5-39.7175.6-165.10000111.6K303 S304 K310K303-C306 VanDerWaalsContact O-CB 3.27Å; K303-C306 WeakPolarHBondContact O-CB 3.21Å; K303-C306 PolarHBondContact O-N 2.94Å; S304-C306 PolarHBondContact O-N 3.45Å; C306-K310 PolarHBondContact O-N 3.44Å
307I38.4Very low38.8Very low110 Ų110121.7 Ų121.756%0.56464%0.638SS**Hα-helixtrans-70.6-46.9179.8-63.1169000110.8K303 S304 H309 K310 L311K303-I307 PolarHBondContact O-N 3.3Å; S304-I307 PolarHBondContact O-N 2.91Å; I307-H309 PolarHBondContact O-N 3.41Å; I307-K310 WeakPolarHBondContact O-CB 3.27Å; I307-K310 PolarHBondContact O-N 3.04Å; I307-L311 HydrophobicContact CG2-CD1 4.46Å; I307-L311 PolarHBondContact O-N 3.27Å
308L38Very low38.6Very low118 Ų118127.2 Ų127.262%0.61865%0.645SS**Hα-helixtrans-60-36.2178.7-157.774.1000111.8S304 K310 L311 H312S304-L308 WeakPolarHBondContact O-CB 3.12Å; S304-L308 PolarHBondContact O-N 2.92Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 3.14Å; L308-L311 PolarHBondContact O-N 3.02Å; L308-H312 PolarHBondContact O-N 3.09Å; L308-H312 VanDerWaalsContact O-N 3.11Å
309H40.3Very low38.3Very low51 Ų51125.5 Ų125.524%0.23664%0.643CS.*Hα-helixtrans-71.7-19.4176.4-168.6-68.6000113.8L305 I307 H313 Q330L305-H309 WeakPolarHBondContact O-CB 3.41Å; I307-H309 PolarHBondContact O-N 3.41Å; H309-H313 AromaticContact CE1-CD2 3.5Å; H309-H313 PolarHBondContact CE1-CD2 3.4Å; H309-H313 VanDerWaalsContact CE1-CD2 3.5Å; H309-H313 AromaticContact CE1-NE2 3.89Å; H309-H313 AromaticContact ND1-CD2 3.77Å; H309-H313 AromaticContact NE2-CD2 3.84Å; H309-H313 AromaticContact NE2-NE2 3.88Å; H309-Q330 PolarHBondContact CD2-NE2 3.14Å; H309-Q330 VanDerWaalsContact CG-NE2 3.3Å; H309-Q330 PolarHBondContact NE2-NE2 2.96Å
310K39.5Very low38Very low186 Ų186124.3 Ų124.381%0.80964%0.637SS**Hα-helixtrans-77.3-33.3169.4-91.1-166170.4-168.60112.3C306 I307 L308C306-K310 PolarHBondContact O-N 3.44Å; I307-K310 WeakPolarHBondContact O-CB 3.27Å; I307-K310 PolarHBondContact O-N 3.04Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 3.14Å
311L39Very low37.7Very low129 Ų129124.2 Ų124.268%0.67565%0.649SS**Hα-helixtrans-79.7-35.5-178-73.8160.7000112.9I307 L308 H313I307-L311 HydrophobicContact CG2-CD1 4.46Å; I307-L311 PolarHBondContact O-N 3.27Å; L308-L311 PolarHBondContact O-N 3.02Å; L311-H313 PolarHBondContact O-N 3.45Å
312H40.5Very low37.4Very low157 Ų157131.2 Ų131.273%0.72767%0.667SS**THydrogen-bonded Turntrans-90.810.9-170.7-150-57.2000115.2L308L308-H312 PolarHBondContact O-N 3.09Å; L308-H312 VanDerWaalsContact O-N 3.11Å
313H42.7Very low37.3Very low132 Ų132131.5 Ų131.561%0.61167%0.67SS**THydrogen-bonded Turntrans-120.58.8-173.4-102.8-62000115.6H309 L311H309-H313 AromaticContact CE1-CD2 3.5Å; H309-H313 PolarHBondContact CE1-CD2 3.4Å; H309-H313 VanDerWaalsContact CE1-CD2 3.5Å; H309-H313 AromaticContact CE1-NE2 3.89Å; H309-H313 AromaticContact ND1-CD2 3.77Å; H309-H313 AromaticContact NE2-CD2 3.84Å; H309-H313 AromaticContact NE2-NE2 3.88Å; L311-H313 PolarHBondContact O-N 3.45Å
314S34.6Very low37.7Very low96 Ų96125.6 Ų125.667%0.67165%0.65SS**SBendtrans-70-26.6173.345.80000113.8
315H32.4Very low37.9Very low158 Ų158124 Ų12473%0.73164%0.638SS**SBendtrans-125.5105.5179.1-67.9-96.8000111.9
316L36.6Very low38Very low181 Ų181122.9 Ų122.995%0.94863%0.632SS**  trans164131.8134.8-90.6160.2000111.1
317H30.8Very low38.5Very low176 Ų176122.4 Ų122.482%0.81563%0.627SS**  trans-128.193.8-163.3-170-89.5000112.2
318R34Very low38.6Very low237 Ų237118.3 Ų118.389%0.89461%0.608SS**  trans178.1158.4150.6-100.5158.9-172.2-1572.8112.9
319P33Very low39.1Very low120 Ų120114.7 Ų114.778%0.77959%0.589SS**  trans-99.4130.5-167.835.9-31.9000114.6
320I35.2Very low39.4Very low148 Ų148115.5 Ų115.576%0.75959%0.593SS**  trans-130.6130.7164.4-62-179.3000108.9R322I320-R322 PolarHBondContact O-N 3.02Å
321G32.6Very low39.9Very low68 Ų68111.1 Ų111.170%0.70158%0.576SS**  trans-72.250.1-168.700000117
322R36.6Very low40.2Very low221 Ų221109.3 Ų109.383%0.83456%0.561SS**  trans-94.5126168.9-66.6-177.6-179.6-179.31.6109.3I320 S324I320-R322 PolarHBondContact O-N 3.02Å; R322-S324 PolarHBondContact O-N 3.32Å
323C38.5Very low40.1Very low110 Ų110103.5 Ų103.574%0.74354%0.54SS*.  trans-65.6109.2173.2-168.60000108.6L325C323-L325 PolarHBondContact O-N 3.44Å
324S46.8Very low40Very low48 Ų48101 Ų10134%0.33654%0.536SS..  trans-60.1123.3-178.7166.50000110.3R322 N326 T327 C328R322-S324 PolarHBondContact O-N 3.32Å; S324-N326 PolarHBondContact O-N 3.11Å; S324-N326 PolarHBondContact OG-N 3.44Å; S324-T327 VanDerWaalsContact CB-OG1 3.29Å; S324-T327 WeakPolarHBondContact CB-OG1 3.41Å; S324-T327 PolarHBondContact O-N 3.26Å; S324-T327 VanDerWaalsContact O-N 3.16Å; S324-T327 PolarHBondContact OG-N 2.9Å; S324-T327 VanDerWaalsContact OG-N 3.17Å; S324-T327 PolarHBondContact OG-OG1 3.17Å; S324-C328 PolarHBondContact O-N 3.35Å
325L47.1Very low41.2Very low14 Ų14100.5 Ų100.57%0.07352%0.52CS..Hα-helixtrans-58.1-38174.5175.258.6000110.3L279 C283 L288 H291 C323 C328 I329L279-L325 HydrophobicContact CD2-CD1 3.42Å; L279-L325 VanDerWaalsContact CD2-CD1 3.42Å; C283-L325 HydrophobicContact CB-CD1 3.95Å; C283-L325 VanDerWaalsContact SG-CD1 3.59Å; L288-L325 HydrophobicContact CD1-CD1 3.62Å; L288-L325 HydrophobicContact CD1-CD2 4.01Å; L288-L325 HydrophobicContact CD1-CG 4.49Å; H291-L325 HydrophobicContact CB-CD2 3.76Å; C323-L325 PolarHBondContact O-N 3.44Å; L325-C328 WeakPolarHBondContact O-CB 3.45Å; L325-C328 PolarHBondContact O-N 3.22Å; L325-C328 VanDerWaalsContact O-N 3.15Å; L325-I329 HydrophobicContact CD1-CD1 4.08Å; L325-I329 HydrophobicContact CD1-CG1 4.24Å; L325-I329 HydrophobicContact CG-CD1 3.93Å; L325-I329 WeakPolarHBondContact O-CG1 3.45Å; L325-I329 PolarHBondContact O-N 3.02Å
326N45.5Very low42.4Very low46 Ų4696.3 Ų96.325%0.24650%0.503CS..Hα-helixtrans-66-40.4176.9-66.3-18000111.8S324 C328 I329 Q330S324-N326 PolarHBondContact O-N 3.11Å; S324-N326 PolarHBondContact OG-N 3.44Å; N326-C328 VanDerWaalsContact C-N 3.3Å; N326-C328 PolarHBondContact O-N 2.99Å; N326-I329 PolarHBondContact O-N 3.37Å; N326-Q330 VanDerWaalsContact O-CB 3.29Å; N326-Q330 WeakPolarHBondContact O-CB 3.37Å; N326-Q330 VanDerWaalsContact O-CG 3.29Å; N326-Q330 WeakPolarHBondContact O-CG 3.26Å; N326-Q330 PolarHBondContact O-N 3.27Å
327T46.2Very low43.2Very low64 Ų6491.2 Ų91.239%0.39348%0.482SS..Hα-helixtrans-62.7-37.9171.5-51.80000111.3S324 M331S324-T327 VanDerWaalsContact CB-OG1 3.29Å; S324-T327 WeakPolarHBondContact CB-OG1 3.41Å; S324-T327 PolarHBondContact O-N 3.26Å; S324-T327 VanDerWaalsContact O-N 3.16Å; S324-T327 PolarHBondContact OG-N 2.9Å; S324-T327 VanDerWaalsContact OG-N 3.17Å; S324-T327 PolarHBondContact OG-OG1 3.17Å; T327-M331 HydrophobicContact CG2-CG 4.4Å; T327-M331 HydrophobicContact CG2-SD 4.3Å; T327-M331 VanDerWaalsContact O-CB 3.31Å; T327-M331 WeakPolarHBondContact O-CB 3.3Å; T327-M331 VanDerWaalsContact O-CG 3.24Å; T327-M331 WeakPolarHBondContact O-CG 3.2Å; T327-M331 PolarHBondContact O-N 2.97Å
328C41.7Very low45.3Very low25 Ų2587.4 Ų87.417%0.16947%0.467CS..Hα-helixtrans-69.6-37.9177.3-158.60000112.8S324 L325 N326 Y332S324-C328 PolarHBondContact O-N 3.35Å; L325-C328 WeakPolarHBondContact O-CB 3.45Å; L325-C328 PolarHBondContact O-N 3.22Å; L325-C328 VanDerWaalsContact O-N 3.15Å; N326-C328 VanDerWaalsContact C-N 3.3Å; N326-C328 PolarHBondContact O-N 2.99Å; C328-Y332 WeakPolarHBondContact O-CB 3.41Å; C328-Y332 PolarHBondContact O-N 3.23Å; C328-Y332 VanDerWaalsContact O-N 3.08Å
329I48.5Very low47.6Very low41 Ų4177 Ų7721%0.2143%0.429CS..Hα-helixtrans-66.8-48.6173.4-68.3168.2000110.3L279 L325 N326 M331 Y332 A333L279-I329 HydrophobicContact CD1-CG1 3.92Å; L279-I329 HydrophobicContact CD2-CD1 4.24Å; L279-I329 HydrophobicContact CD2-CG1 3.61Å; L279-I329 HydrophobicContact CG-CG1 4.42Å; L325-I329 HydrophobicContact CD1-CD1 4.08Å; L325-I329 HydrophobicContact CD1-CG1 4.24Å; L325-I329 HydrophobicContact CG-CD1 3.93Å; L325-I329 WeakPolarHBondContact O-CG1 3.45Å; L325-I329 PolarHBondContact O-N 3.02Å; N326-I329 PolarHBondContact O-N 3.37Å; I329-M331 PolarHBondContact O-N 3.4Å; I329-Y332 PolarHBondContact O-N 2.92Å; I329-A333 VanDerWaalsContact O-CB 3.31Å; I329-A333 WeakPolarHBondContact O-CB 3.21Å; I329-A333 PolarHBondContact O-N 3.45Å
330Q45.4Very low50.1Low68 Ų6875.4 Ų75.432%0.31841%0.409SS..Hα-helixtrans-57.9-48.6175.8-77.2174.1-8.400111.2H309 N326 Y332 A333 C334H309-Q330 PolarHBondContact CD2-NE2 3.14Å; H309-Q330 VanDerWaalsContact CG-NE2 3.3Å; H309-Q330 PolarHBondContact NE2-NE2 2.96Å; N326-Q330 VanDerWaalsContact O-CB 3.29Å; N326-Q330 WeakPolarHBondContact O-CB 3.37Å; N326-Q330 VanDerWaalsContact O-CG 3.29Å; N326-Q330 WeakPolarHBondContact O-CG 3.26Å; N326-Q330 PolarHBondContact O-N 3.27Å; Q330-Y332 VanDerWaalsContact C-N 3.33Å; Q330-Y332 PolarHBondContact O-N 3.41Å; Q330-A333 PolarHBondContact O-N 3.01Å; Q330-C334 WeakPolarHBondContact O-CA 3.46Å; Q330-C334 WeakPolarHBondContact O-CB 3.27Å; Q330-C334 PolarHBondContact O-N 3.01Å
331M50.9Low52.6Low94 Ų9475 Ų7546%0.46340%0.404SS..Hα-helixtrans-59.9-40.7177-76.3-176.778.500112.3T327 I329 R335T327-M331 HydrophobicContact CG2-CG 4.4Å; T327-M331 HydrophobicContact CG2-SD 4.3Å; T327-M331 VanDerWaalsContact O-CB 3.31Å; T327-M331 WeakPolarHBondContact O-CB 3.3Å; T327-M331 VanDerWaalsContact O-CG 3.24Å; T327-M331 WeakPolarHBondContact O-CG 3.2Å; T327-M331 PolarHBondContact O-N 2.97Å; I329-M331 PolarHBondContact O-N 3.4Å; M331-R335 WeakPolarHBondContact O-CB 3.29Å; M331-R335 PolarHBondContact O-N 3.09Å
332Y45.8Very low55.3Low92 Ų9272.7 Ų72.736%0.36138%0.377SS..Hα-helixtrans-71.1-46.7178.8-170.6-88.4000112.1K278 C328 I329 Q330 N336K278-Y332 WeakPolarHBondContact CD-OH 3.39Å; C328-Y332 WeakPolarHBondContact O-CB 3.41Å; C328-Y332 PolarHBondContact O-N 3.23Å; C328-Y332 VanDerWaalsContact O-N 3.08Å; I329-Y332 PolarHBondContact O-N 2.92Å; Q330-Y332 VanDerWaalsContact C-N 3.33Å; Q330-Y332 PolarHBondContact O-N 3.41Å; Y332-N336 VanDerWaalsContact O-CB 3.26Å; Y332-N336 WeakPolarHBondContact O-CB 3.43Å; Y332-N336 PolarHBondContact O-N 3.21Å
333A36.7Very low57.9Low35 Ų3563.3 Ų63.329%0.28934%0.343SS..Hα-helixtrans-67.7-50.1-179.600000112I329 Q330 R335 N336 C337I329-A333 VanDerWaalsContact O-CB 3.31Å; I329-A333 WeakPolarHBondContact O-CB 3.21Å; I329-A333 PolarHBondContact O-N 3.45Å; Q330-A333 PolarHBondContact O-N 3.01Å; A333-R335 PolarHBondContact O-N 3.06Å; A333-N336 PolarHBondContact O-N 3.01Å; A333-C337 PolarHBondContact O-N 3.07Å
334C41.1Very low60.4Low78 Ų7859.1 Ų59.153%0.52732%0.316SS..Hα-helixtrans-54.6-51.3176.2178.30000110.6Q330 N336 C337 N338Q330-C334 WeakPolarHBondContact O-CA 3.46Å; Q330-C334 WeakPolarHBondContact O-CB 3.27Å; Q330-C334 PolarHBondContact O-N 3.01Å; C334-N336 VanDerWaalsContact C-N 3.3Å; C334-N336 PolarHBondContact O-N 3.26Å; C334-C337 PolarHBondContact O-N 3.33Å; C334-N338 WeakPolarHBondContact O-CB 3.26Å; C334-N338 PolarHBondContact O-N 2.81Å
335R59.7Low62.5Low86 Ų8662.8 Ų62.833%0.32533%0.327SS..Hα-helixtrans-64-32.9-179.2-172.1172.4-179.4155.30.5113.3E189 T193 M331 A333E189-R335 IonicContact OE1-CZ 3.02Å; E189-R335 IonicContact OE1-NE 3.82Å; E189-R335 IonicContact OE1-NH2 2.83Å; E189-R335 PolarHBondContact OE1-NH2 2.95Å; T193-R335 PolarHBondContact OG1-NH2 2.88Å; M331-R335 WeakPolarHBondContact O-CB 3.29Å; M331-R335 PolarHBondContact O-N 3.09Å; A333-R335 PolarHBondContact O-N 3.06Å
336N58.2Low64.7Low70 Ų7062.3 Ų62.337%0.37432%0.324SS..Hα-helixtrans-83.2-18.9179.8-15787.9000113.7Y332 A333 C334 F339Y332-N336 VanDerWaalsContact O-CB 3.26Å; Y332-N336 WeakPolarHBondContact O-CB 3.43Å; Y332-N336 PolarHBondContact O-N 3.21Å; A333-N336 PolarHBondContact O-N 3.01Å; C334-N336 VanDerWaalsContact C-N 3.3Å; C334-N336 PolarHBondContact O-N 3.26Å; N336-F339 WeakPolarHBondContact O-CD1 3.49Å; N336-F339 WeakPolarHBondContact O-CE1 3.45Å
337C53.2Low67Low75 Ų7561.4 Ų61.451%0.50732%0.32SS..Hα-helixtrans-84.7-45.2166.8-67.90000111.5A333 C334 F339 K340 H341A333-C337 PolarHBondContact O-N 3.07Å; C334-C337 PolarHBondContact O-N 3.33Å; C337-F339 PolarHBondContact O-N 3.45Å; C337-K340 PolarHBondContact O-N 3.04Å; C337-K340 VanDerWaalsContact O-N 3.1Å; C337-H341 PolarHBondContact O-CD2 3.27Å; C337-H341 PolarHBondContact O-N 3.27Å
338N75.6Confident69.2Low95 Ų9564.7 Ų64.751%0.50833%0.33SS..Hα-helixtrans-55.7-46.2-174.2-174-26.8000112.1C334 K340 H341 S342C334-N338 WeakPolarHBondContact O-CB 3.26Å; C334-N338 PolarHBondContact O-N 2.81Å; N338-K340 PolarHBondContact O-N 3.47Å; N338-K340 VanDerWaalsContact O-N 3.16Å; N338-H341 PolarHBondContact O-N 2.87Å; N338-H341 VanDerWaalsContact O-N 3.16Å; N338-S342 WeakPolarHBondContact O-CB 3.35Å; N338-S342 PolarHBondContact O-N 3.45Å
339F82.3Confident71.6Confident20 Ų2066 Ų669%0.08833%0.333CS..Hα-helixtrans-61.3-29.4-179.390.1-94.7000113.8A114 A117 Y118 N336 C337 L343A114-F339 HydrophobicContact CB-CB 3.89Å; A114-F339 HydrophobicContact CB-CD1 4.12Å; A114-F339 HydrophobicContact CB-CG 3.92Å; A117-F339 HydrophobicContact CB-CD2 3.84Å; A117-F339 HydrophobicContact CB-CE2 3.42Å; A117-F339 VanDerWaalsContact CB-CE2 3.42Å; A117-F339 HydrophobicContact CB-CZ 4.34Å; Y118-F339 HydrophobicContact CE2-CB 4.27Å; N336-F339 WeakPolarHBondContact O-CD1 3.49Å; N336-F339 WeakPolarHBondContact O-CE1 3.45Å; C337-F339 PolarHBondContact O-N 3.45Å; F339-L343 HydrophobicContact CD2-CD1 3.85Å; F339-L343 HydrophobicContact CE2-CD1 4.07Å; F339-L343 VanDerWaalsContact O-CG 3.29Å; F339-L343 WeakPolarHBondContact O-CG 3.34Å; F339-L343 PolarHBondContact O-N 3.48Å
340K85.3Confident73.7Confident86 Ų8664.1 Ų64.137%0.37432%0.323SS..Hα-helixtrans-71-44.8176.4-68.7-171.7178.4-177.80111.7D17 C337 N338 S342 L343 A344D17-K340 IonicContact OD2-NZ 3.63Å; D17-K340 PolarHBondContact OD2-NZ 3.4Å; C337-K340 PolarHBondContact O-N 3.04Å; C337-K340 VanDerWaalsContact O-N 3.1Å; N338-K340 PolarHBondContact O-N 3.47Å; N338-K340 VanDerWaalsContact O-N 3.16Å; K340-S342 VanDerWaalsContact C-N 3.31Å; K340-L343 PolarHBondContact O-N 2.95Å; K340-A344 PolarHBondContact O-N 3.34Å; K340-A344 VanDerWaalsContact O-N 3.08Å
341H86.3Confident76Confident139 Ų13963.6 Ų63.664%0.64432%0.322SS*.Hα-helixtrans-65.3-36.7174.5-68.7-75.5000111.5C337 N338 A344 F345C337-H341 PolarHBondContact O-CD2 3.27Å; C337-H341 PolarHBondContact O-N 3.27Å; N338-H341 PolarHBondContact O-N 2.87Å; N338-H341 VanDerWaalsContact O-N 3.16Å; H341-A344 PolarHBondContact O-N 3.33Å; H341-F345 VanDerWaalsContact O-CB 3.24Å; H341-F345 WeakPolarHBondContact O-CB 3.24Å; H341-F345 PolarHBondContact O-N 2.92Å
342S89.1Confident78Confident20 Ų2063.5 Ų63.514%0.1432%0.322CS..Hα-helixtrans-64.3-43.2174.1179.30000112.4Y118 N338 K340 F345 I346Y118-S342 WeakPolarHBondContact OH-CB 3.42Å; Y118-S342 PolarHBondContact OH-OG 2.88Å; N338-S342 WeakPolarHBondContact O-CB 3.35Å; N338-S342 PolarHBondContact O-N 3.45Å; K340-S342 VanDerWaalsContact C-N 3.31Å; S342-F345 PolarHBondContact O-N 3.45Å; S342-I346 WeakPolarHBondContact O-CB 3.12Å; S342-I346 WeakPolarHBondContact O-CD1 3.5Å; S342-I346 WeakPolarHBondContact O-CG1 3.38Å; S342-I346 PolarHBondContact O-N 3.48Å
343L92.1Very high80.2Confident23 Ų2360.6 Ų60.612%0.1231%0.313CS..Hα-helixtrans-58.4-48.4173.1-76.4170.6000111.7A117 Y118 A121 F182 F339 K340 I346 T347A117-L343 HydrophobicContact CB-CD1 4.09Å; Y118-L343 HydrophobicContact CD1-CD2 3.49Å; Y118-L343 VanDerWaalsContact CD1-CD2 3.49Å; Y118-L343 HydrophobicContact CD1-CG 4.14Å; Y118-L343 HydrophobicContact CE1-CD2 3.66Å; Y118-L343 HydrophobicContact CE1-CG 3.86Å; A121-L343 HydrophobicContact CB-CD2 3.55Å; F182-L343 HydrophobicContact CD1-CD2 3.83Å; F182-L343 HydrophobicContact CE1-CD2 3.53Å; F182-L343 HydrophobicContact CZ-CD2 4.36Å; F339-L343 HydrophobicContact CD2-CD1 3.85Å; F339-L343 HydrophobicContact CE2-CD1 4.07Å; F339-L343 VanDerWaalsContact O-CG 3.29Å; F339-L343 WeakPolarHBondContact O-CG 3.34Å; F339-L343 PolarHBondContact O-N 3.48Å; K340-L343 PolarHBondContact O-N 2.95Å; L343-I346 PolarHBondContact O-N 3.31Å; L343-T347 PolarHBondContact O-N 2.95Å; L343-T347 VanDerWaalsContact O-N 3.15Å; L343-T347 PolarHBondContact O-OG1 3.06Å
344A90.5Very high82.7Confident22 Ų2258.9 Ų58.918%0.18230%0.299CS..Hα-helixtrans-61-45.6178.500000112.5Y21 K340 H341 T347 F348Y21-A344 HydrophobicContact CE1-CB 3.95Å; Y21-A344 WeakPolarHBondContact OH-CB 3.43Å; K340-A344 PolarHBondContact O-N 3.34Å; K340-A344 VanDerWaalsContact O-N 3.08Å; H341-A344 PolarHBondContact O-N 3.33Å; A344-T347 PolarHBondContact O-N 3.16Å; A344-F348 WeakPolarHBondContact O-CB 3.41Å; A344-F348 PolarHBondContact O-N 3.32Å
345F92Very high85.1Confident125 Ų12559 Ų5955%0.54829%0.294SS..Hα-helixtrans-61.6-45.2178177.8-93.3000111.8H341 S342 T347 F348 F349H341-F345 VanDerWaalsContact O-CB 3.24Å; H341-F345 WeakPolarHBondContact O-CB 3.24Å; H341-F345 PolarHBondContact O-N 2.92Å; S342-F345 PolarHBondContact O-N 3.45Å; F345-T347 PolarHBondContact O-N 3.1Å; F345-F348 PolarHBondContact O-N 3.16Å; F345-F349 HydrophobicContact CE1-CB 4.33Å; F345-F349 HydrophobicContact CE1-CG 4.38Å; F345-F349 HydrophobicContact CZ-CD2 4.4Å; F345-F349 HydrophobicContact CZ-CG 4.47Å; F345-F349 WeakPolarHBondContact O-CB 3.48Å; F345-F349 PolarHBondContact O-N 2.84Å
346I92.8Very high86.6Confident5 Ų556.6 Ų56.63%0.02629%0.289CS..Hα-helixtrans-60.4-46.5178-69161.7000110.8W181 F182 V185 S342 L343 F349 S350W181-I346 HydrophobicContact CB-CB 4.5Å; W181-I346 HydrophobicContact CB-CG1 4.28Å; W181-I346 HydrophobicContact CB-CG2 3.52Å; F182-I346 HydrophobicContact CD1-CB 4.08Å; F182-I346 HydrophobicContact CD1-CD1 3.63Å; F182-I346 HydrophobicContact CD1-CG1 4.46Å; F182-I346 HydrophobicContact CD1-CG2 3.62Å; F182-I346 HydrophobicContact CE1-CB 3.66Å; F182-I346 HydrophobicContact CE1-CD1 3.96Å; F182-I346 HydrophobicContact CE1-CG1 4.44Å; F182-I346 HydrophobicContact CE1-CG2 3.4Å; F182-I346 VanDerWaalsContact CE1-CG2 3.4Å; F182-I346 HydrophobicContact CE2-CG2 4.45Å; F182-I346 HydrophobicContact CG-CG2 4.21Å; F182-I346 HydrophobicContact CZ-CB 4.38Å; F182-I346 HydrophobicContact CZ-CG2 3.85Å; V185-I346 HydrophobicContact CB-CD1 4.11Å; V185-I346 HydrophobicContact CG2-CD1 3.86Å; S342-I346 WeakPolarHBondContact O-CB 3.12Å; S342-I346 WeakPolarHBondContact O-CD1 3.5Å; S342-I346 WeakPolarHBondContact O-CG1 3.38Å; S342-I346 PolarHBondContact O-N 3.48Å; L343-I346 PolarHBondContact O-N 3.31Å; I346-F349 PolarHBondContact O-N 3.39Å; I346-S350 VanDerWaalsContact O-CB 3.3Å; I346-S350 WeakPolarHBondContact O-CB 3.34Å; I346-S350 PolarHBondContact O-N 3.49Å; I346-S350 PolarHBondContact O-OG 2.96Å
347T92.8Very high88.1Confident27 Ų2753.3 Ų53.317%0.16627%0.272CS..Hα-helixtrans-60.9-49.1177.8-56.70000111.4I25 L343 A344 F345 F349 S350 I351I25-T347 HydrophobicContact CD1-CG2 4.02Å; I25-T347 HydrophobicContact CG1-CG2 4.08Å; L343-T347 PolarHBondContact O-N 2.95Å; L343-T347 VanDerWaalsContact O-N 3.15Å; L343-T347 PolarHBondContact O-OG1 3.06Å; A344-T347 PolarHBondContact O-N 3.16Å; F345-T347 PolarHBondContact O-N 3.1Å; T347-F349 PolarHBondContact O-N 3.42Å; T347-S350 PolarHBondContact O-N 3.18Å; T347-I351 HydrophobicContact CG2-CD1 4.14Å; T347-I351 WeakPolarHBondContact O-CG1 3.34Å; T347-I351 PolarHBondContact O-N 2.98Å; T347-I351 VanDerWaalsContact O-N 3.11Å
348F93.4Very high89.8Confident133 Ų13353.3 Ų53.358%0.58326%0.263SS*.Hα-helixtrans-61.2-45.6178.7177.1-98.8000112.3A344 F345 S350 I351 L352A344-F348 WeakPolarHBondContact O-CB 3.41Å; A344-F348 PolarHBondContact O-N 3.32Å; F345-F348 PolarHBondContact O-N 3.16Å; F348-S350 PolarHBondContact O-N 2.93Å; F348-I351 PolarHBondContact O-N 2.7Å; F348-L352 HydrophobicContact CE1-CD2 4Å; F348-L352 HydrophobicContact CZ-CD2 4.45Å; F348-L352 WeakPolarHBondContact O-CB 3.29Å; F348-L352 PolarHBondContact O-N 3.29Å
349F91.9Very high90.5Very high53 Ų5354.1 Ų54.123%0.23226%0.263CS..Hα-helixtrans-64.8-37.5178.9-173.8-114.8000112.3W181 F345 I346 T347 L352 L353W181-F349 AromaticContact CE2-CE1 3.81Å; W181-F349 HydrophobicContact CH2-CE1 4.44Å; W181-F349 AromaticContact CZ2-CE1 3.77Å; W181-F349 HydrophobicContact CZ2-CE1 3.77Å; W181-F349 AromaticContact NE1-CE1 3.95Å; F345-F349 HydrophobicContact CE1-CB 4.33Å; F345-F349 HydrophobicContact CE1-CG 4.38Å; F345-F349 HydrophobicContact CZ-CD2 4.4Å; F345-F349 HydrophobicContact CZ-CG 4.47Å; F345-F349 WeakPolarHBondContact O-CB 3.48Å; F345-F349 PolarHBondContact O-N 2.84Å; I346-F349 PolarHBondContact O-N 3.39Å; T347-F349 PolarHBondContact O-N 3.42Å; F349-L352 PolarHBondContact O-N 2.96Å; F349-L353 HydrophobicContact CD1-CD1 3.92Å; F349-L353 HydrophobicContact CD1-CG 4.42Å; F349-L353 HydrophobicContact CD2-CG 4.35Å; F349-L353 HydrophobicContact CE1-CD1 3.43Å; F349-L353 VanDerWaalsContact CE1-CD1 3.43Å; F349-L353 HydrophobicContact CE1-CG 4.16Å; F349-L353 HydrophobicContact CE2-CD1 4.2Å; F349-L353 HydrophobicContact CE2-CD2 4.24Å; F349-L353 HydrophobicContact CE2-CG 4.07Å; F349-L353 HydrophobicContact CG-CD1 4.49Å; F349-L353 HydrophobicContact CZ-CD1 3.59Å; F349-L353 HydrophobicContact CZ-CD2 4.21Å; F349-L353 HydrophobicContact CZ-CG 3.98Å; F349-L353 WeakPolarHBondContact O-CB 3.26Å; F349-L353 WeakPolarHBondContact O-CG 3.33Å; F349-L353 PolarHBondContact O-N 2.94Å
350S93.3Very high90.6Very high0 Ų053.2 Ų53.20%026%0.259CS..Hα-helixtrans-68.1-34.3177.1-55.20000112.6A178 I346 T347 F348 N354A178-S350 WeakPolarHBondContact CA-OG 3.23Å; A178-S350 PolarHBondContact N-OG 2.72Å; I346-S350 VanDerWaalsContact O-CB 3.3Å; I346-S350 WeakPolarHBondContact O-CB 3.34Å; I346-S350 PolarHBondContact O-N 3.49Å; I346-S350 PolarHBondContact O-OG 2.96Å; T347-S350 PolarHBondContact O-N 3.18Å; F348-S350 PolarHBondContact O-N 2.93Å; S350-N354 PolarHBondContact O-ND2 3.24Å
351I93.5Very high90.5Very high58 Ų5849.3 Ų49.330%0.29724%0.242SC..Hα-helixtrans-68.8-52.9170.8-65.7164.2000109.6I174 T347 F348 L353 N354 L355I174-I351 HydrophobicContact CG2-CG1 3.83Å; T347-I351 HydrophobicContact CG2-CD1 4.14Å; T347-I351 WeakPolarHBondContact O-CG1 3.34Å; T347-I351 PolarHBondContact O-N 2.98Å; T347-I351 VanDerWaalsContact O-N 3.11Å; F348-I351 PolarHBondContact O-N 2.7Å; I351-L353 PolarHBondContact O-N 2.95Å; I351-N354 CarbonylContact O-C 3.58Å; I351-N354 PolarHBondContact O-N 2.85Å; I351-N354 VanDerWaalsContact O-N 3.1Å; I351-L355 PolarHBondContact O-N 3.48Å
352L92.4Very high90.4Very high92 Ų9247.1 Ų47.148%0.48223%0.23SC..Hα-helixtrans-58.3-44.5-176.1-177.663.6000112.9F348 F349 N354 L355F348-L352 HydrophobicContact CE1-CD2 4Å; F348-L352 HydrophobicContact CZ-CD2 4.45Å; F348-L352 WeakPolarHBondContact O-CB 3.29Å; F348-L352 PolarHBondContact O-N 3.29Å; F349-L352 PolarHBondContact O-N 2.96Å; L352-N354 PolarHBondContact O-N 3.4Å; L352-L355 PolarHBondContact O-N 3.14Å
353L90.9Very high90.1Very high30 Ų3047.1 Ų47.116%0.15723%0.229CC..THydrogen-bonded Turntrans-65.4-22.4178.6-77.9-175.4000114.2F349 I351 F427 L434 I435F349-L353 HydrophobicContact CD1-CD1 3.92Å; F349-L353 HydrophobicContact CD1-CG 4.42Å; F349-L353 HydrophobicContact CD2-CG 4.35Å; F349-L353 HydrophobicContact CE1-CD1 3.43Å; F349-L353 VanDerWaalsContact CE1-CD1 3.43Å; F349-L353 HydrophobicContact CE1-CG 4.16Å; F349-L353 HydrophobicContact CE2-CD1 4.2Å; F349-L353 HydrophobicContact CE2-CD2 4.24Å; F349-L353 HydrophobicContact CE2-CG 4.07Å; F349-L353 HydrophobicContact CG-CD1 4.49Å; F349-L353 HydrophobicContact CZ-CD1 3.59Å; F349-L353 HydrophobicContact CZ-CD2 4.21Å; F349-L353 HydrophobicContact CZ-CG 3.98Å; F349-L353 WeakPolarHBondContact O-CB 3.26Å; F349-L353 WeakPolarHBondContact O-CG 3.33Å; F349-L353 PolarHBondContact O-N 2.94Å; I351-L353 PolarHBondContact O-N 2.95Å; L353-F427 WeakPolarHBondContact O-CE2 3.47Å; L353-F427 VanDerWaalsContact O-CZ 3.24Å; L353-F427 WeakPolarHBondContact O-CZ 3.4Å; L353-L434 HydrophobicContact CD2-CD1 4.39Å; L353-I435 HydrophobicContact CB-CD1 4.12Å; L353-I435 HydrophobicContact CD1-CD1 4.13Å; L353-I435 HydrophobicContact CD1-CG1 3.87Å
354N91Very high89.5Confident0 Ų047.6 Ų47.60%023%0.233CC..THydrogen-bonded Turntrans-112.7-0.9-177.6-67.7-74.3000112.9I174 T177 S350 I351 L352 P356 L357 R431I174-N354 HydrophobicContact CG1-CB 3.6Å; T177-N354 PolarHBondContact OG1-ND2 3.37Å; S350-N354 PolarHBondContact O-ND2 3.24Å; I351-N354 CarbonylContact O-C 3.58Å; I351-N354 PolarHBondContact O-N 2.85Å; I351-N354 VanDerWaalsContact O-N 3.1Å; L352-N354 PolarHBondContact O-N 3.4Å; N354-P356 VanDerWaalsContact C-CD 3.43Å; N354-P356 VanDerWaalsContact C-N 3.3Å; N354-L357 HydrophobicContact CB-CD1 3.96Å; N354-L357 HydrophobicContact CB-CG 4.39Å; N354-L357 VanDerWaalsContact O-CB 3.23Å; N354-L357 WeakPolarHBondContact O-CB 3.44Å; N354-L357 WeakPolarHBondContact O-CG 3.43Å; N354-L357 PolarHBondContact O-N 2.92Å; N354-L357 WeakPolarHBondContact OD1-CD1 3.24Å; N354-R431 PolarHBondContact OD1-NH1 3.41Å
355L91.7Very high88.9Confident81 Ų8151.9 Ų51.942%0.42425%0.245SC..G310 helixtrans-53.4-37.9177.8-177.464.4000113.4I351 L352 L357 F358I351-L355 PolarHBondContact O-N 3.48Å; L352-L355 PolarHBondContact O-N 3.14Å; L355-L357 PolarHBondContact O-N 3.48Å; L355-F358 HydrophobicContact CD1-CD2 4.16Å; L355-F358 HydrophobicContact CD1-CE2 4.43Å; L355-F358 WeakPolarHBondContact O-CD2 3.38Å; L355-F358 PolarHBondContact O-N 3.42Å
356P91.1Very high87.9Confident35 Ų3552 Ų5223%0.22725%0.245CC..G310 helixtrans-62.5-22175.3-26.238000114.6N354 F358 F359 F418 F427N354-P356 VanDerWaalsContact C-CD 3.43Å; N354-P356 VanDerWaalsContact C-N 3.3Å; P356-F358 VanDerWaalsContact C-N 3.27Å; P356-F358 PolarHBondContact O-N 3.3Å; P356-F359 PolarHBondContact O-N 3.05Å; P356-F418 HydrophobicContact CB-CE1 3.94Å; P356-F418 HydrophobicContact CB-CZ 3.93Å; P356-F427 HydrophobicContact CB-CD1 4.38Å; P356-F427 HydrophobicContact CB-CD2 4.47Å; P356-F427 HydrophobicContact CB-CE1 3.97Å; P356-F427 HydrophobicContact CB-CE2 4.08Å; P356-F427 HydrophobicContact CB-CZ 3.8Å; P356-F427 HydrophobicContact CG-CD2 4.1Å; P356-F427 HydrophobicContact CG-CE1 4.38Å; P356-F427 HydrophobicContact CG-CE2 3.59Å; P356-F427 HydrophobicContact CG-CZ 3.75Å
357L87.8Confident86.6Confident0 Ų057 Ų570%027%0.272CS..G310 helixtrans-65.1-27.5-177.7-60.6-176.8000113.3F169 P170 N173 N354 L355 F359 V360 Y424 F427F169-L357 HydrophobicContact CD1-CB 4.02Å; F169-L357 HydrophobicContact CE1-CB 3.8Å; F169-L357 HydrophobicContact CE1-CD2 3.78Å; F169-L357 HydrophobicContact CE1-CG 4.23Å; F169-L357 HydrophobicContact CZ-CD2 3.88Å; P170-L357 HydrophobicContact CB-CB 4.43Å; N173-L357 HydrophobicContact CB-CD1 3.52Å; N354-L357 HydrophobicContact CB-CD1 3.96Å; N354-L357 HydrophobicContact CB-CG 4.39Å; N354-L357 VanDerWaalsContact O-CB 3.23Å; N354-L357 WeakPolarHBondContact O-CB 3.44Å; N354-L357 WeakPolarHBondContact O-CG 3.43Å; N354-L357 PolarHBondContact O-N 2.92Å; N354-L357 WeakPolarHBondContact OD1-CD1 3.24Å; L355-L357 PolarHBondContact O-N 3.48Å; L357-F359 PolarHBondContact O-N 3.19Å; L357-V360 HydrophobicContact CD2-CG2 4.34Å; L357-V360 PolarHBondContact O-N 3.43Å; L357-Y424 HydrophobicContact CD2-CE2 4.28Å; L357-F427 HydrophobicContact CD2-CE1 3.82Å; L357-F427 HydrophobicContact CD2-CZ 4.45Å; L357-F427 HydrophobicContact CG-CE1 4.45Å
358F90Very high85Confident75 Ų7559 Ų5933%0.32928%0.281SS..G310 helixtrans-57.8-29.6172.6-75.8-85.3000112.4P170 I174 L355 P356P170-F358 HydrophobicContact CB-CD1 3.8Å; P170-F358 HydrophobicContact CB-CD2 3.68Å; P170-F358 HydrophobicContact CB-CE1 3.7Å; P170-F358 HydrophobicContact CB-CE2 3.6Å; P170-F358 HydrophobicContact CB-CG 3.79Å; P170-F358 HydrophobicContact CB-CZ 3.61Å; P170-F358 HydrophobicContact CG-CD1 3.54Å; P170-F358 HydrophobicContact CG-CD2 4.36Å; P170-F358 HydrophobicContact CG-CE1 3.49Å; P170-F358 VanDerWaalsContact CG-CE1 3.49Å; P170-F358 HydrophobicContact CG-CE2 4.33Å; P170-F358 HydrophobicContact CG-CG 4Å; P170-F358 HydrophobicContact CG-CZ 3.91Å; I174-F358 HydrophobicContact CD1-CE2 3.99Å; I174-F358 HydrophobicContact CD1-CZ 4.36Å; L355-F358 HydrophobicContact CD1-CD2 4.16Å; L355-F358 HydrophobicContact CD1-CE2 4.43Å; L355-F358 WeakPolarHBondContact O-CD2 3.38Å; L355-F358 PolarHBondContact O-N 3.42Å; P356-F358 VanDerWaalsContact C-N 3.27Å; P356-F358 PolarHBondContact O-N 3.3Å
359F89.7Confident82.5Confident113 Ų11357.6 Ų57.650%0.49629%0.285SS..G310 helixtrans-99.97.4-175.1-53.5-76.3000113.7P356 L357 T416 F418P356-F359 PolarHBondContact O-N 3.05Å; L357-F359 PolarHBondContact O-N 3.19Å; F359-T416 WeakPolarHBondContact O-CB 3.47Å; F359-T416 VanDerWaalsContact O-CG2 3.27Å; F359-T416 WeakPolarHBondContact O-CG2 3.3Å; F359-T416 PolarHBondContact O-OG1 2.9Å; F359-F418 HydrophobicContact CB-CD1 4.2Å
360V85.2Confident80.3Confident1 Ų160.3 Ų60.31%0.00630%0.301CS..THydrogen-bonded Turntrans-87.9-40.4-175.1169.70000113.2F169 L357 L415 T416 F418 Y424F169-V360 HydrophobicContact CE1-CB 3.95Å; F169-V360 HydrophobicContact CE1-CG1 3.99Å; F169-V360 HydrophobicContact CE1-CG2 4.44Å; F169-V360 HydrophobicContact CZ-CG1 4.45Å; L357-V360 HydrophobicContact CD2-CG2 4.34Å; L357-V360 PolarHBondContact O-N 3.43Å; V360-L415 HydrophobicContact CG1-CD2 3.79Å; V360-L415 WeakPolarHBondContact O-CA 3.28Å; V360-T416 PolarHBondContact O-N 2.86Å; V360-T416 PolarHBondContact O-OG1 3.37Å; V360-F418 HydrophobicContact CG2-CD1 4.02Å; V360-F418 HydrophobicContact CG2-CE1 3.87Å; V360-Y424 HydrophobicContact CB-CE2 4.42Å; V360-Y424 HydrophobicContact CG1-CD1 4.44Å; V360-Y424 HydrophobicContact CG1-CE1 3.68Å; V360-Y424 HydrophobicContact CG1-CE2 4.19Å; V360-Y424 HydrophobicContact CG2-CD2 3.65Å; V360-Y424 HydrophobicContact CG2-CE1 4.2Å; V360-Y424 HydrophobicContact CG2-CE2 3.31Å; V360-Y424 HydrophobicContact CG2-CG 4.28Å
361Q83.1Confident77.7Confident4 Ų466.9 Ų66.92%0.01933%0.329CS..EExtended strand (participates in β ladder)trans-105.2148.7-172.2-61.8-166.337.900111.7A165 F169 G414A165-Q361 HydrophobicContact CB-CB 4Å; F169-Q361 HydrophobicContact CD1-CG 4.05Å; F169-Q361 HydrophobicContact CE1-CG 4.23Å; Q361-G414 WeakPolarHBondContact CA-O 3.21Å
362K84.3Confident74.9Confident93 Ų9373.4 Ų73.440%0.40436%0.356SS..EExtended strand (participates in β ladder)trans-140.1146.3165.258.3174.4-178.2-1790111Y166 V364 G414 L415 T416Y166-K362 WeakPolarHBondContact OH-CA 3.46Å; K362-V364 HydrophobicContact CD-CG2 4.17Å; K362-V364 HydrophobicContact CG-CG2 3.84Å; K362-G414 PolarHBondContact N-O 3.42Å; K362-G414 CarbonylContact O-C 3.54Å; K362-G414 WeakPolarHBondContact O-CA 3.27Å; K362-G414 PolarHBondContact O-N 2.91Å; K362-G414 VanDerWaalsContact O-O 3.11Å; K362-L415 VanDerWaalsContact CE-O 3.24Å; K362-L415 WeakPolarHBondContact CE-O 3.21Å; K362-T416 HydrophobicContact CB-CG2 4.04Å; K362-T416 HydrophobicContact CD-CG2 4.4Å; K362-T416 HydrophobicContact CG-CG2 4.13Å
363V82Confident72.3Confident19 Ų1974.3 Ų74.312%0.11537%0.37CS..EExtended strand (participates in β ladder)trans-74133.7167.5-1790000108.2Y162 A165 Y166 V411Y162-V363 HydrophobicContact CD1-CB 4.42Å; Y162-V363 HydrophobicContact CD1-CG2 3.92Å; Y162-V363 HydrophobicContact CD2-CB 4.46Å; Y162-V363 HydrophobicContact CD2-CG1 4.38Å; Y162-V363 HydrophobicContact CD2-CG2 3.95Å; Y162-V363 HydrophobicContact CE1-CB 4.04Å; Y162-V363 HydrophobicContact CE1-CG2 4.06Å; Y162-V363 HydrophobicContact CE2-CB 4.08Å; Y162-V363 HydrophobicContact CE2-CG1 3.81Å; Y162-V363 HydrophobicContact CE2-CG2 4.09Å; Y162-V363 HydrophobicContact CG-CG2 3.85Å; A165-V363 HydrophobicContact CB-CG2 4.36Å; Y166-V363 HydrophobicContact CE2-CG2 4.08Å; Y166-V363 PolarHBondContact OH-N 3.03Å; V363-V411 HydrophobicContact CG1-CG1 3.4Å
364V79Confident69.5Low34 Ų3479.4 Ų79.421%0.20640%0.402CS..EExtended strand (participates in β ladder)trans-129.2134.4-177.4-178.90000108.9K362 V411 F412K362-V364 HydrophobicContact CD-CG2 4.17Å; K362-V364 HydrophobicContact CG-CG2 3.84Å; V364-V411 WeakPolarHBondContact O-CA 3.43Å; V364-F412 HydrophobicContact CB-CE1 3.92Å; V364-F412 HydrophobicContact CB-CE2 4.07Å; V364-F412 HydrophobicContact CB-CZ 3.64Å; V364-F412 HydrophobicContact CG1-CE1 3.84Å; V364-F412 HydrophobicContact CG1-CE2 4.44Å; V364-F412 HydrophobicContact CG1-CZ 3.58Å; V364-F412 PolarHBondContact N-O 3.07Å; V364-F412 VanDerWaalsContact O-CD1 3.3Å; V364-F412 WeakPolarHBondContact O-CD1 3.33Å; V364-F412 WeakPolarHBondContact O-CE1 3.21Å; V364-F412 PolarHBondContact O-N 3.42Å
365R78.6Confident66.6Low111 Ų11187.4 Ų87.442%0.41944%0.442SS..EExtended strand (participates in β ladder)trans-98.2140.8168.2-44.1-165.1-168.6-154.18.1109.5M409 Q410 V411 E966R365-M409 HydrophobicContact CB-CE 3.6Å; R365-M409 HydrophobicContact CB-SD 4.22Å; R365-M409 HydrophobicContact CG-CE 4.24Å; R365-Q410 CarbonylContact C-O 3.56Å; R365-Q410 WeakPolarHBondContact CA-O 3.33Å; R365-V411 HydrophobicContact CG-CG1 4.49Å; R365-V411 HydrophobicContact CG-CG2 4.09Å; R365-E966 IonicContact CZ-OE1 3.85Å; R365-E966 IonicContact CZ-OE2 3.73Å; R365-E966 IonicContact NH1-OE1 2.75Å; R365-E966 PolarHBondContact NH1-OE1 3.4Å; R365-E966 IonicContact NH1-OE2 2.72Å; R365-E966 PolarHBondContact NH1-OE2 3.19Å
366K70.6Confident63.6Low127 Ų12792.3 Ų92.355%0.55246%0.459SS*.EExtended strand (participates in β ladder)trans-133.2131.6172.5-88.4179.9179.4178.30110.2I368 M409 Q410 F412K366-I368 PolarHBondContact O-N 2.96Å; K366-M409 CarbonylContact O-C 3.58Å; K366-M409 WeakPolarHBondContact O-CA 3.49Å; K366-Q410 PolarHBondContact N-O 3.39Å; K366-Q410 PolarHBondContact O-N 3.04Å; K366-F412 HydrophobicContact CB-CE1 4.01Å; K366-F412 HydrophobicContact CD-CE1 3.63Å; K366-F412 HydrophobicContact CD-CZ 3.8Å; K366-F412 HydrophobicContact CG-CE1 3.7Å; K366-F412 HydrophobicContact CG-CZ 4.14Å
367N66.1Low60.9Low110 Ų11096 Ų9659%0.58848%0.484SS*.EExtended strand (participates in β ladder)trans-70.7124.1162.2-82.3-54.8000109.9M409N367-M409 WeakPolarHBondContact OD1-CG 3.35Å; N367-M409 PolarHBondContact OD1-SD 3.39Å
368I58.7Low58.4Low70 Ų70102.4 Ų102.436%0.35952%0.516SS..EExtended strand (participates in β ladder)trans-97.4117.7165.7-60.1-174.3000108K366 I370 G407 Q408 Q410K366-I368 PolarHBondContact O-N 2.96Å; I368-I370 PolarHBondContact O-N 3.38Å; I368-G407 WeakPolarHBondContact O-CA 3.35Å; I368-Q408 PolarHBondContact N-O 3.28Å; I368-Q408 PolarHBondContact O-N 3.23Å; I368-Q408 VanDerWaalsContact O-N 3.12Å; I368-Q410 HydrophobicContact CD1-CB 4.36Å; I368-Q410 HydrophobicContact CD1-CG 3.91Å
369P41.3Very low55.7Low104 Ų104106.3 Ų106.368%0.67554%0.535SS*.PPolyproline II helixtrans-69.1125.4173.628.7-32.7000109.3K371P369-K371 PolarHBondContact O-N 3.46Å
370I45.5Very low53.1Low109 Ų109107.1 Ų107.156%0.55955%0.545SS*.  trans-67.5105.7176.3-57.2176.8000108I368 K372 Q406 Q408I368-I370 PolarHBondContact O-N 3.38Å; I370-K372 PolarHBondContact O-N 3.37Å; I370-K372 VanDerWaalsContact O-N 3.09Å; I370-Q406 WeakPolarHBondContact CD1-O 3.29Å; I370-Q408 HydrophobicContact CD1-CG 4.44Å
371K39.8Very low50.6Low138 Ų138113.2 Ų113.260%0.658%0.577SS**  trans-60.4112.2164.2-79.9-178.4171.41790107.7N68 P369 S373N68-K371 PolarHBondContact O-NZ 3.44Å; P369-K371 PolarHBondContact O-N 3.46Å; K371-S373 PolarHBondContact O-N 3Å
372K34Very low48.3Very low196 Ų196122.5 Ų122.585%0.85262%0.618SS**  trans-53.7123.6162.2-77.1-175.6176.2178.50107.6I370 T374I370-K372 PolarHBondContact O-N 3.37Å; I370-K372 VanDerWaalsContact O-N 3.09Å; K372-T374 PolarHBondContact O-N 2.79Å
373S38.1Very low45.9Very low111 Ų111124.7 Ų124.778%0.77664%0.639SS**  trans-61.7119.8167.737.60000107.9K371 M375K371-S373 PolarHBondContact O-N 3Å; S373-M375 PolarHBondContact O-N 3.09Å
374T31Very low43.5Very low136 Ų136129 Ų12983%0.83467%0.67SS**  trans-71.982.4172.247.90000108.6K372 K376K372-T374 PolarHBondContact O-N 2.79Å; T374-K376 PolarHBondContact O-N 3.4Å
375M30.2Very low41.4Very low169 Ų169135.8 Ų135.883%0.83370%0.7SS**  trans-58.7101.1165.9-175.3172.3175.200107S373S373-M375 PolarHBondContact O-N 3.09Å
376K30Very low39.4Very low183 Ų183141.6 Ų141.680%0.79672%0.722SS**  trans-55.3126.8171.6-74.1-178.6177.9176.10106.8T374 I378T374-K376 PolarHBondContact O-N 3.4Å; K376-I378 PolarHBondContact O-N 3.1Å; K376-I378 VanDerWaalsContact O-N 3.15Å
377P34Very low37.5Very low114 Ų114142.4 Ų142.474%0.7473%0.731SS**  trans-60.1123.3173.225-32.2000107.9H379P377-H379 PolarHBondContact O-N 2.84Å
378I34.5Very low36.1Very low133 Ų133146 Ų14668%0.68274%0.744SS**  trans-70.2101.6174.2-61.6179.5000106.2K376 N380K376-I378 PolarHBondContact O-N 3.1Å; K376-I378 VanDerWaalsContact O-N 3.15Å; I378-N380 HydrophobicContact CG2-CB 4.46Å; I378-N380 WeakPolarHBondContact CG2-OD1 3.32Å; I378-N380 PolarHBondContact O-N 3.17Å
379H33.4Very low35.4Very low157 Ų157149.2 Ų149.273%0.72777%0.767SS**  trans-77.761-175.9-149.2-68.8000111P377 N381P377-H379 PolarHBondContact O-N 2.84Å; H379-N381 PolarHBondContact CE1-OD1 3.33Å; H379-N381 PolarHBondContact ND1-OD1 3.34Å; H379-N381 PolarHBondContact O-N 2.98Å; H379-N381 PolarHBondContact O-OD1 3.45Å
380N35.9Very low35.3Very low131 Ų131149.3 Ų149.370%0.70177%0.766SS**  trans-7195.1176.2-84.5-4.9000109.4I378 K382I378-N380 HydrophobicContact CG2-CB 4.46Å; I378-N380 WeakPolarHBondContact CG2-OD1 3.32Å; I378-N380 PolarHBondContact O-N 3.17Å; N380-K382 VanDerWaalsContact C-N 3.33Å; N380-K382 PolarHBondContact O-N 2.95Å
381N32.3Very low34.8Very low129 Ų129150.4 Ų150.469%0.6977%0.773SS**  trans-64.483.2177.4-65.7-12.8000111.6H379H379-N381 PolarHBondContact CE1-OD1 3.33Å; H379-N381 PolarHBondContact ND1-OD1 3.34Å; H379-N381 PolarHBondContact O-N 2.98Å; H379-N381 PolarHBondContact O-OD1 3.45Å
382K34.7Very low34.8Very low198 Ų198150.9 Ų150.986%0.86178%0.781SS**  trans-173.452165.9-110.5163.3-173.4-177.80116.1N380N380-K382 VanDerWaalsContact C-N 3.33Å; N380-K382 PolarHBondContact O-N 2.95Å
383T34.6Very low35Very low139 Ų139150 Ų15085%0.85378%0.78SS**  trans-155.541.5164.931.40000113.5E385T383-E385 PolarHBondContact O-N 2.66Å
384S31.1Very low34.9Very low111 Ų111152.3 Ų152.378%0.77678%0.776SS**  trans-75.1108.8166500000110.2
385E34.6Very low35.2Very low175 Ų175151.4 Ų151.482%0.81877%0.767SS**SBendtrans176.3-29.3146.9-102.3167.9162.900114.4T383T383-E385 PolarHBondContact O-N 2.66Å
386W36.8Very low35.5Very low233 Ų233150.9 Ų150.988%0.88377%0.767SS**SBendtrans-106.610.2-157-90.989.5000119.3
387L30.8Very low35.5Very low145 Ų145148.5 Ų148.576%0.75976%0.762SS**  trans-132.428.1-176.6-75.8176.3000115.7
388H37Very low35.3Very low184 Ų184149.1 Ų149.185%0.85276%0.764SS**SBendtrans-87.8-5.6179.5-103.2-70000116.2
389T43.8Very low35.1Very low138 Ų138147 Ų14785%0.84776%0.761SS**SBendtrans-107.2-11.5-169.7-24.60000114.8
390T38.7Very low34.9Very low106 Ų106145.7 Ų145.765%0.6576%0.764SS**SBendtrans-101.9-2.8-169.2-28.20000114.2
391L35.4Very low34.6Very low133 Ų133146.5 Ų146.570%0.69677%0.769SS**G310 helixtrans-84.2-19.9-167.8-15072.7000114.7
392N39.4Very low34.4Very low147 Ų147147.6 Ų147.679%0.78678%0.775SS**G310 helixtrans-87.1-5.1-169.6-71.8-6000115
393H39.2Very low34.1Very low177 Ų177147.1 Ų147.182%0.81978%0.776SS**G310 helixtrans-101.6-3.3-175.8-141.6-52.4000114.7
394F35.5Very low33.7Very low160 Ų160149.4 Ų149.470%0.70277%0.77SS**SBendtrans-98.4-7-175-116.6-84.7000115.1N396 L397F394-N396 VanDerWaalsContact C-N 3.31Å; F394-N396 PolarHBondContact O-N 2.88Å; F394-L397 HydrophobicContact CE1-CD1 4.35Å
395N36.9Very low33.7Very low118 Ų118150.9 Ų150.963%0.63177%0.769SS**THydrogen-bonded Turntrans-81.21.8-169.3-66.2-21.9000115.5
396N36Very low33.7Very low157 Ų157149.9 Ų149.984%0.8476%0.764SS**THydrogen-bonded Turntrans-1119.7-177.9-81.6-3.3000114.6F394 T398F394-N396 VanDerWaalsContact C-N 3.31Å; F394-N396 PolarHBondContact O-N 2.88Å; N396-T398 PolarHBondContact O-N 3.38Å
397L31Very low33.8Very low133 Ų133139.6 Ų139.670%0.69673%0.731SS**  trans-90.850.1171.5-87.6152.4000111.4F394 S399F394-L397 HydrophobicContact CE1-CD1 4.35Å; L397-S399 VanDerWaalsContact C-N 3.31Å; L397-S399 PolarHBondContact O-N 3.33Å; L397-S399 VanDerWaalsContact O-N 3.08Å
398T29.4Very low34.8Very low127 Ų127137.1 Ų137.178%0.77972%0.715SS**  trans-84.466.9-179.9550000111.8N396N396-T398 PolarHBondContact O-N 3.38Å
399S30Very low36Very low89 Ų89130.2 Ų130.262%0.62268%0.684SS**SBendtrans-151.6148.1168.153.90000111.8L397L397-S399 VanDerWaalsContact C-N 3.31Å; L397-S399 PolarHBondContact O-N 3.33Å; L397-S399 VanDerWaalsContact O-N 3.08Å
400T30.1Very low37.1Very low129 Ų129125.2 Ų125.279%0.79165%0.651SS**  trans65.637.7175.564.50000118.7N402T400-N402 PolarHBondContact O-N 3.11Å
401D28.5Very low38.6Very low149 Ų149120.1 Ų120.180%0.79762%0.62SS**  trans-73.465.8169.3-144-1.9000112.6
402N28.8Very low40.5Very low152 Ų152114.9 Ų114.981%0.81359%0.591SS**  trans-107.217.8-173.1-101.5-10.3000113.8T400 Y404T400-N402 PolarHBondContact O-N 3.11Å; N402-Y404 PolarHBondContact O-N 2.85Å
403Q27.5Very low42.2Very low188 Ų188108 Ų10888%0.87955%0.554SS**  trans-93.468.4178.6-70.9-161.8-12.700113.3
404Y28Very low43.7Very low187 Ų18799.9 Ų99.973%0.73352%0.519SS*.  trans-123126.6173.2-96.1-86.2000113.7N402N402-Y404 PolarHBondContact O-N 2.85Å
405N30.7Very low45.8Very low141 Ų14193 Ų9375%0.75449%0.49SS*.  trans67.756.1154.6-54.2-31.4000119.8G407N405-G407 PolarHBondContact O-N 2.91Å; N405-G407 VanDerWaalsContact O-N 3.12Å
406Q34.7Very low48.3Very low154 Ų15488.7 Ų88.772%0.7247%0.467SS*.  trans-72.795.6147.8-81.8-169.1-15.600109.6I370I370-Q406 WeakPolarHBondContact CD1-O 3.29Å
407G38.7Very low50.7Low17 Ų1789.5 Ų89.518%0.17547%0.466CS..PPolyproline II helixtrans-76153.9169.300000111.6I368 N405 M409I368-G407 WeakPolarHBondContact O-CA 3.35Å; N405-G407 PolarHBondContact O-N 2.91Å; N405-G407 VanDerWaalsContact O-N 3.12Å; G407-M409 PolarHBondContact O-N 3.31Å
408Q52.2Low53.4Low94 Ų9486.2 Ų86.244%0.43945%0.446SS..EExtended strand (participates in β ladder)trans-78.6119169-75.4-178.3-27.900108.7I368 I370I368-Q408 PolarHBondContact N-O 3.28Å; I368-Q408 PolarHBondContact O-N 3.23Å; I368-Q408 VanDerWaalsContact O-N 3.12Å; I370-Q408 HydrophobicContact CD1-CG 4.44Å
409M61.5Low55.9Low38 Ų3880.3 Ų80.319%0.18741%0.41CS..EExtended strand (participates in β ladder)trans-71.9135.5169.6-83.5-82.1-90.900109R365 K366 N367 G407 D965 E966R365-M409 HydrophobicContact CB-CE 3.6Å; R365-M409 HydrophobicContact CB-SD 4.22Å; R365-M409 HydrophobicContact CG-CE 4.24Å; K366-M409 CarbonylContact O-C 3.58Å; K366-M409 WeakPolarHBondContact O-CA 3.49Å; N367-M409 WeakPolarHBondContact OD1-CG 3.35Å; N367-M409 PolarHBondContact OD1-SD 3.39Å; G407-M409 PolarHBondContact O-N 3.31Å; M409-D965 CarbonylContact O-C 3.56Å; M409-D965 VanDerWaalsContact O-CA 3.31Å; M409-D965 WeakPolarHBondContact O-CA 3.4Å; M409-E966 HydrophobicContact CB-CB 3.89Å; M409-E966 PolarHBondContact N-O 3.41Å; M409-E966 PolarHBondContact O-N 3.4Å
410Q66Low58.4Low33 Ų3380.4 Ų80.415%0.15440%0.404CS..EExtended strand (participates in β ladder)trans-123.5125.5169.7-79.7-166.21.400111.1R365 K366 I368 S963 V964 D965R365-Q410 CarbonylContact C-O 3.56Å; R365-Q410 WeakPolarHBondContact CA-O 3.33Å; K366-Q410 PolarHBondContact N-O 3.39Å; K366-Q410 PolarHBondContact O-N 3.04Å; I368-Q410 HydrophobicContact CD1-CB 4.36Å; I368-Q410 HydrophobicContact CD1-CG 3.91Å; Q410-S963 PolarHBondContact OE1-OG 3.09Å; Q410-V964 WeakPolarHBondContact CA-O 3.31Å; Q410-D965 WeakPolarHBondContact CG-OD1 3.46Å; Q410-D965 PolarHBondContact NE2-OD1 3.35Å
411V71.2Confident61.2Low0 Ų075.8 Ų75.80%038%0.377CS..EExtended strand (participates in β ladder)trans-96.4124.7176.4-170.30000109.1I158 L161 V363 V364 R365 S963 V964 E966I158-V411 HydrophobicContact CD1-CG2 4.5Å; L161-V411 HydrophobicContact CD1-CB 4.5Å; L161-V411 HydrophobicContact CD1-CG1 4.19Å; V363-V411 HydrophobicContact CG1-CG1 3.4Å; V364-V411 WeakPolarHBondContact O-CA 3.43Å; R365-V411 HydrophobicContact CG-CG1 4.49Å; R365-V411 HydrophobicContact CG-CG2 4.09Å; V411-S963 CarbonylContact O-C 3.58Å; V411-S963 WeakPolarHBondContact O-CA 3.47Å; V411-V964 PolarHBondContact N-O 3.26Å; V411-V964 PolarHBondContact O-N 2.8Å; V411-E966 HydrophobicContact CG2-CB 4.33Å
412F75.8Confident64Low22 Ų2272.6 Ų72.610%0.09636%0.36CS..EExtended strand (participates in β ladder)trans-149.2168-17767.6-82.1000112.5V364 K366 G414 V961V364-F412 HydrophobicContact CB-CE1 3.92Å; V364-F412 HydrophobicContact CB-CE2 4.07Å; V364-F412 HydrophobicContact CB-CZ 3.64Å; V364-F412 HydrophobicContact CG1-CE1 3.84Å; V364-F412 HydrophobicContact CG1-CE2 4.44Å; V364-F412 HydrophobicContact CG1-CZ 3.58Å; V364-F412 PolarHBondContact N-O 3.07Å; V364-F412 VanDerWaalsContact O-CD1 3.3Å; V364-F412 WeakPolarHBondContact O-CD1 3.33Å; V364-F412 WeakPolarHBondContact O-CE1 3.21Å; V364-F412 PolarHBondContact O-N 3.42Å; K366-F412 HydrophobicContact CB-CE1 4.01Å; K366-F412 HydrophobicContact CD-CE1 3.63Å; K366-F412 HydrophobicContact CD-CZ 3.8Å; K366-F412 HydrophobicContact CG-CE1 3.7Å; K366-F412 HydrophobicContact CG-CZ 4.14Å; F412-G414 PolarHBondContact O-N 3.2Å; F412-V961 HydrophobicContact CB-CG1 3.88Å; F412-V961 HydrophobicContact CD2-CG1 3.77Å; F412-V961 HydrophobicContact CG-CG1 3.98Å
413T73.8Confident66.9Low2 Ų271.2 Ų71.21%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-80.3106.4174.943.30000112L161 A165 R955 D960L161-T413 HydrophobicContact CD2-CG2 4.15Å; A165-T413 HydrophobicContact CB-CG2 4.4Å; T413-R955 PolarHBondContact O-NH2 3.42Å; T413-D960 PolarHBondContact OG1-O 3.45Å
414G72.7Confident69.7Low7 Ų762.3 Ų62.37%0.07231%0.31CS..EExtended strand (participates in β ladder)trans-92.9170.8169.700000113Q361 K362 F412Q361-G414 WeakPolarHBondContact CA-O 3.21Å; K362-G414 PolarHBondContact N-O 3.42Å; K362-G414 CarbonylContact O-C 3.54Å; K362-G414 WeakPolarHBondContact O-CA 3.27Å; K362-G414 PolarHBondContact O-N 2.91Å; K362-G414 VanDerWaalsContact O-O 3.11Å; F412-G414 PolarHBondContact O-N 3.2Å
415L79.3Confident72.3Confident17 Ų1756 Ų569%0.08929%0.286CS..EExtended strand (participates in β ladder)trans-92.3147.5166.8-68.3162000109.2V360 K362 N420 I953 Y954 R955V360-L415 HydrophobicContact CG1-CD2 3.79Å; V360-L415 WeakPolarHBondContact O-CA 3.28Å; K362-L415 VanDerWaalsContact CE-O 3.24Å; K362-L415 WeakPolarHBondContact CE-O 3.21Å; L415-N420 WeakPolarHBondContact CB-ND2 3.34Å; L415-I953 HydrophobicContact CD1-CG2 3.87Å; L415-Y954 WeakPolarHBondContact CD1-O 3.26Å; L415-R955 HydrophobicContact CD1-CG 4.23Å
416T87.7Confident75Confident26 Ų2654.7 Ų54.716%0.1628%0.278CS..  trans-70.5178.9166.760.40000110.7F359 V360 K362 F418 G419 N420F359-T416 WeakPolarHBondContact O-CB 3.47Å; F359-T416 VanDerWaalsContact O-CG2 3.27Å; F359-T416 WeakPolarHBondContact O-CG2 3.3Å; F359-T416 PolarHBondContact O-OG1 2.9Å; V360-T416 PolarHBondContact O-N 2.86Å; V360-T416 PolarHBondContact O-OG1 3.37Å; K362-T416 HydrophobicContact CB-CG2 4.04Å; K362-T416 HydrophobicContact CD-CG2 4.4Å; K362-T416 HydrophobicContact CG-CG2 4.13Å; T416-F418 PolarHBondContact OG1-N 3.42Å; T416-G419 PolarHBondContact O-N 3.24Å; T416-G419 PolarHBondContact OG1-N 3.32Å; T416-N420 PolarHBondContact O-N 3.4Å; T416-N420 VanDerWaalsContact O-N 3.17Å; T416-N420 PolarHBondContact O-ND2 3.42Å
417E86.6Confident77.6Confident175 Ų17549.3 Ų49.382%0.81825%0.252SS*.Hα-helixtrans-60.9-46.5169.1-173.1170.3-178.900111.2G419 N420 S421E417-G419 VanDerWaalsContact C-N 3.33Å; E417-G419 PolarHBondContact O-N 2.94Å; E417-N420 PolarHBondContact O-N 3.28Å; E417-N420 VanDerWaalsContact O-N 3.09Å; E417-S421 PolarHBondContact O-N 2.96Å
418F87.9Confident79.8Confident63 Ų6348.5 Ų48.528%0.27624%0.244SC..Hα-helixtrans-54.8-47.1171.3177-107.2000112P356 F359 V360 T416 N420 S421 I423 Y424P356-F418 HydrophobicContact CB-CE1 3.94Å; P356-F418 HydrophobicContact CB-CZ 3.93Å; F359-F418 HydrophobicContact CB-CD1 4.2Å; V360-F418 HydrophobicContact CG2-CD1 4.02Å; V360-F418 HydrophobicContact CG2-CE1 3.87Å; T416-F418 PolarHBondContact OG1-N 3.42Å; F418-N420 PolarHBondContact O-N 2.94Å; F418-N420 VanDerWaalsContact O-N 3.17Å; F418-S421 VanDerWaalsContact O-CB 3.31Å; F418-S421 WeakPolarHBondContact O-CB 3.24Å; F418-S421 PolarHBondContact O-N 3.25Å; F418-S421 PolarHBondContact O-OG 3.02Å; F418-I423 HydrophobicContact CE2-CG2 4.23Å; F418-Y424 AromaticContact CE1-CD2 3.8Å; F418-Y424 HydrophobicContact CE1-CD2 3.8Å; F418-Y424 HydrophobicContact CE1-CG 4.2Å; F418-Y424 HydrophobicContact CZ-CD2 4.15Å; F418-Y424 HydrophobicContact CZ-CG 4.5Å; F418-Y424 WeakPolarHBondContact O-CB 3.12Å
419G82.3Confident81.4Confident3 Ų347.9 Ų47.93%0.03124%0.238CC..Hα-helixtrans-64.6-15.1178.700000115.3T416 E417 Y424T416-G419 PolarHBondContact O-N 3.24Å; T416-G419 PolarHBondContact OG1-N 3.32Å; E417-G419 VanDerWaalsContact C-N 3.33Å; E417-G419 PolarHBondContact O-N 2.94Å; G419-Y424 VanDerWaalsContact O-CD1 3.29Å; G419-Y424 WeakPolarHBondContact O-CD1 3.37Å
420N81.7Confident82.6Confident91 Ų9149.4 Ų49.449%0.48725%0.249SC..Hα-helixtrans-99.1-5171.6-70.3-67.2000113.3L415 T416 E417 F418L415-N420 WeakPolarHBondContact CB-ND2 3.34Å; T416-N420 PolarHBondContact O-N 3.4Å; T416-N420 VanDerWaalsContact O-N 3.17Å; T416-N420 PolarHBondContact O-ND2 3.42Å; E417-N420 PolarHBondContact O-N 3.28Å; E417-N420 VanDerWaalsContact O-N 3.09Å; F418-N420 PolarHBondContact O-N 2.94Å; F418-N420 VanDerWaalsContact O-N 3.17Å
421S89Confident83.6Confident33 Ų3348 Ų4823%0.23124%0.242CC..SBendtrans-78.1150.8-174.873.90000113.6E417 F418 I423 Y424 K425E417-S421 PolarHBondContact O-N 2.96Å; F418-S421 VanDerWaalsContact O-CB 3.31Å; F418-S421 WeakPolarHBondContact O-CB 3.24Å; F418-S421 PolarHBondContact O-N 3.25Å; F418-S421 PolarHBondContact O-OG 3.02Å; S421-I423 PolarHBondContact O-N 2.72Å; S421-Y424 PolarHBondContact O-N 3.41Å; S421-Y424 PolarHBondContact OG-N 3.07Å; S421-Y424 VanDerWaalsContact OG-N 3.07Å; S421-K425 PolarHBondContact O-N 3.12Å
422D88.2Confident84.3Confident82 Ų8248 Ų4844%0.43924%0.242SC..Hα-helixtrans-63.1-25.3169.1-88.5-51.8000112.2K425 I426D422-K425 PolarHBondContact O-N 3.08Å; D422-K425 WeakPolarHBondContact OD1-CD 3.46Å; D422-K425 WeakPolarHBondContact OD1-CE 2.99Å; D422-K425 IonicContact OD1-NZ 2.71Å; D422-K425 PolarHBondContact OD1-NZ 2.92Å; D422-I426 VanDerWaalsContact O-CG1 3.32Å; D422-I426 WeakPolarHBondContact O-CG1 2.99Å; D422-I426 PolarHBondContact O-N 3.25Å
423I89.1Confident84.8Confident122 Ų12251.1 Ų51.163%0.62626%0.258SS*.Hα-helixtrans-61.2-48.1173.3-59.4174.3000110F418 S421 K425 I426 F427F418-I423 HydrophobicContact CE2-CG2 4.23Å; S421-I423 PolarHBondContact O-N 2.72Å; I423-K425 VanDerWaalsContact C-N 3.34Å; I423-K425 PolarHBondContact O-N 3.44Å; I423-I426 PolarHBondContact O-N 2.93Å; I423-F427 PolarHBondContact O-N 3.23Å
424Y86.3Confident85.4Confident2 Ų254.2 Ų54.21%0.00827%0.274CS..Hα-helixtrans-62.9-41.4176.5173.4-121.4000111.5L357 V360 F418 G419 S421 I426 F427 S428 E956L357-Y424 HydrophobicContact CD2-CE2 4.28Å; V360-Y424 HydrophobicContact CB-CE2 4.42Å; V360-Y424 HydrophobicContact CG1-CD1 4.44Å; V360-Y424 HydrophobicContact CG1-CE1 3.68Å; V360-Y424 HydrophobicContact CG1-CE2 4.19Å; V360-Y424 HydrophobicContact CG2-CD2 3.65Å; V360-Y424 HydrophobicContact CG2-CE1 4.2Å; V360-Y424 HydrophobicContact CG2-CE2 3.31Å; V360-Y424 HydrophobicContact CG2-CG 4.28Å; F418-Y424 AromaticContact CE1-CD2 3.8Å; F418-Y424 HydrophobicContact CE1-CD2 3.8Å; F418-Y424 HydrophobicContact CE1-CG 4.2Å; F418-Y424 HydrophobicContact CZ-CD2 4.15Å; F418-Y424 HydrophobicContact CZ-CG 4.5Å; F418-Y424 WeakPolarHBondContact O-CB 3.12Å; G419-Y424 VanDerWaalsContact O-CD1 3.29Å; G419-Y424 WeakPolarHBondContact O-CD1 3.37Å; S421-Y424 PolarHBondContact O-N 3.41Å; S421-Y424 PolarHBondContact OG-N 3.07Å; S421-Y424 VanDerWaalsContact OG-N 3.07Å; Y424-I426 PolarHBondContact O-N 2.93Å; Y424-F427 AromaticContact CD2-CD1 3.71Å; Y424-F427 HydrophobicContact CD2-CD1 3.71Å; Y424-F427 HydrophobicContact CD2-CE1 4.37Å; Y424-F427 AromaticContact CE2-CD1 3.79Å; Y424-F427 HydrophobicContact CE2-CD1 3.79Å; Y424-F427 HydrophobicContact CE2-CE1 4.1Å; Y424-F427 CarbonylContact O-C 3.45Å; Y424-F427 WeakPolarHBondContact O-CA 3.44Å; Y424-F427 WeakPolarHBondContact O-CB 3.44Å; Y424-F427 PolarHBondContact O-N 3.2Å; Y424-F427 VanDerWaalsContact O-N 3.12Å; Y424-S428 WeakPolarHBondContact CE2-OG 3.39Å; Y424-S428 PolarHBondContact O-N 2.82Å; Y424-S428 PolarHBondContact O-OG 3.43Å; Y424-S428 VanDerWaalsContact O-OG 3.07Å; Y424-E956 WeakPolarHBondContact CE2-OE2 3.32Å; Y424-E956 VanDerWaalsContact CZ-OE2 3.28Å; Y424-E956 WeakPolarHBondContact OH-CB 3.45Å; Y424-E956 WeakPolarHBondContact OH-CG 3.4Å; Y424-E956 PolarHBondContact OH-OE2 3.32Å
425K83Confident86Confident54 Ų5454.2 Ų54.224%0.23527%0.272CS..Hα-helixtrans-60.3-39.3175.2173.8175.7145-151.40113.3S421 D422 I423 W429 Y954S421-K425 PolarHBondContact O-N 3.12Å; D422-K425 PolarHBondContact O-N 3.08Å; D422-K425 WeakPolarHBondContact OD1-CD 3.46Å; D422-K425 WeakPolarHBondContact OD1-CE 2.99Å; D422-K425 IonicContact OD1-NZ 2.71Å; D422-K425 PolarHBondContact OD1-NZ 2.92Å; I423-K425 VanDerWaalsContact C-N 3.34Å; I423-K425 PolarHBondContact O-N 3.44Å; K425-W429 PolarHBondContact O-N 2.97Å; K425-Y954 HydrophobicContact CD-CD2 3.99Å; K425-Y954 HydrophobicContact CD-CE2 3.79Å; K425-Y954 HydrophobicContact CG-CD1 4.23Å; K425-Y954 HydrophobicContact CG-CD2 4.23Å; K425-Y954 HydrophobicContact CG-CE1 4.04Å; K425-Y954 HydrophobicContact CG-CE2 4.07Å; K425-Y954 HydrophobicContact CG-CG 4.35Å
426I88.1Confident86.2Confident114 Ų11454 Ų5459%0.58527%0.271SS*.Hα-helixtrans-66.1-43.3172.6-68.6163.6000110.5D422 I423 Y424 W429 T430D422-I426 VanDerWaalsContact O-CG1 3.32Å; D422-I426 WeakPolarHBondContact O-CG1 2.99Å; D422-I426 PolarHBondContact O-N 3.25Å; I423-I426 PolarHBondContact O-N 2.93Å; Y424-I426 PolarHBondContact O-N 2.93Å; I426-W429 PolarHBondContact O-N 2.96Å; I426-T430 WeakPolarHBondContact O-CB 3.19Å; I426-T430 PolarHBondContact O-N 2.84Å; I426-T430 PolarHBondContact O-OG1 3Å
427F89.3Confident86Confident41 Ų4155 Ų5518%0.1828%0.277CS..Hα-helixtrans-60.1-45.9174.4164.9-94.2000111.8L353 P356 L357 I423 Y424 W429 T430 R431L353-F427 WeakPolarHBondContact O-CE2 3.47Å; L353-F427 VanDerWaalsContact O-CZ 3.24Å; L353-F427 WeakPolarHBondContact O-CZ 3.4Å; P356-F427 HydrophobicContact CB-CD1 4.38Å; P356-F427 HydrophobicContact CB-CD2 4.47Å; P356-F427 HydrophobicContact CB-CE1 3.97Å; P356-F427 HydrophobicContact CB-CE2 4.08Å; P356-F427 HydrophobicContact CB-CZ 3.8Å; P356-F427 HydrophobicContact CG-CD2 4.1Å; P356-F427 HydrophobicContact CG-CE1 4.38Å; P356-F427 HydrophobicContact CG-CE2 3.59Å; P356-F427 HydrophobicContact CG-CZ 3.75Å; L357-F427 HydrophobicContact CD2-CE1 3.82Å; L357-F427 HydrophobicContact CD2-CZ 4.45Å; L357-F427 HydrophobicContact CG-CE1 4.45Å; I423-F427 PolarHBondContact O-N 3.23Å; Y424-F427 AromaticContact CD2-CD1 3.71Å; Y424-F427 HydrophobicContact CD2-CD1 3.71Å; Y424-F427 HydrophobicContact CD2-CE1 4.37Å; Y424-F427 AromaticContact CE2-CD1 3.79Å; Y424-F427 HydrophobicContact CE2-CD1 3.79Å; Y424-F427 HydrophobicContact CE2-CE1 4.1Å; Y424-F427 CarbonylContact O-C 3.45Å; Y424-F427 WeakPolarHBondContact O-CA 3.44Å; Y424-F427 WeakPolarHBondContact O-CB 3.44Å; Y424-F427 PolarHBondContact O-N 3.2Å; Y424-F427 VanDerWaalsContact O-N 3.12Å; F427-W429 PolarHBondContact O-N 3.09Å; F427-T430 CarbonylContact O-C 3.52Å; F427-T430 WeakPolarHBondContact O-CB 3.49Å; F427-T430 PolarHBondContact O-N 3.34Å; F427-T430 VanDerWaalsContact O-N 3.15Å; F427-R431 HydrophobicContact CZ-CB 4.42Å; F427-R431 HydrophobicContact CZ-CG 4.29Å; F427-R431 WeakPolarHBondContact O-CB 3.44Å; F427-R431 PolarHBondContact O-N 3.43Å
428S84Confident86.2Confident0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-56.3-48.8176.8-61.90000112.2Y424 T430 R431 I432 E956Y424-S428 WeakPolarHBondContact CE2-OG 3.39Å; Y424-S428 PolarHBondContact O-N 2.82Å; Y424-S428 PolarHBondContact O-OG 3.43Å; Y424-S428 VanDerWaalsContact O-OG 3.07Å; S428-T430 PolarHBondContact O-N 2.91Å; S428-R431 WeakPolarHBondContact O-CB 3.3Å; S428-R431 PolarHBondContact O-N 3.21Å; S428-I432 WeakPolarHBondContact O-CB 3.01Å; S428-I432 VanDerWaalsContact O-CG1 3.27Å; S428-I432 WeakPolarHBondContact O-CG1 3.47Å; S428-I432 PolarHBondContact O-N 3.18Å; S428-E956 VanDerWaalsContact CB-OE2 3.32Å; S428-E956 WeakPolarHBondContact CB-OE2 3.47Å; S428-E956 PolarHBondContact OG-OE2 2.82Å
429W85.5Confident86.2Confident81 Ų8148 Ų4831%0.30725%0.248SC..Hα-helixtrans-62.5-41.7175.8-85.9104.3000112.3K425 I426 F427 M433 A532 Y954K425-W429 PolarHBondContact O-N 2.97Å; I426-W429 PolarHBondContact O-N 2.96Å; F427-W429 PolarHBondContact O-N 3.09Å; W429-M433 HydrophobicContact CE3-CE 3.91Å; W429-M433 HydrophobicContact CZ3-CE 3.84Å; W429-M433 VanDerWaalsContact O-CG 3.27Å; W429-M433 WeakPolarHBondContact O-CG 3.28Å; W429-M433 PolarHBondContact O-N 3Å; W429-A532 HydrophobicContact CH2-CB 4.46Å; W429-Y954 AromaticContact CD1-CE1 3.96Å; W429-Y954 AromaticContact NE1-CE1 3.43Å; W429-Y954 AromaticContact NE1-CZ 3.61Å; W429-Y954 PolarHBondContact NE1-OH 3.02Å
430T87.5Confident86.4Confident69 Ų6948.6 Ų48.642%0.42325%0.25SC..Hα-helixtrans-62.7-43.2176.3-55.40000111.4I426 F427 S428 M433 L434I426-T430 WeakPolarHBondContact O-CB 3.19Å; I426-T430 PolarHBondContact O-N 2.84Å; I426-T430 PolarHBondContact O-OG1 3Å; F427-T430 CarbonylContact O-C 3.52Å; F427-T430 WeakPolarHBondContact O-CB 3.49Å; F427-T430 PolarHBondContact O-N 3.34Å; F427-T430 VanDerWaalsContact O-N 3.15Å; S428-T430 PolarHBondContact O-N 2.91Å; T430-M433 PolarHBondContact O-N 3.41Å; T430-L434 HydrophobicContact CG2-CD1 3.83Å; T430-L434 HydrophobicContact CG2-CG 4.38Å; T430-L434 WeakPolarHBondContact O-CB 3.24Å; T430-L434 WeakPolarHBondContact O-CG 3.29Å; T430-L434 PolarHBondContact O-N 3.34Å
431R87.1Confident86.8Confident5 Ų549.8 Ų49.82%0.01926%0.256CS..Hα-helixtrans-63-49.5178.3-170.3-173.784911111.3N173 N354 F427 S428 M433 L434 I435 E956N173-R431 PolarHBondContact OD1-NH1 2.89Å; N354-R431 PolarHBondContact OD1-NH1 3.41Å; F427-R431 HydrophobicContact CZ-CB 4.42Å; F427-R431 HydrophobicContact CZ-CG 4.29Å; F427-R431 WeakPolarHBondContact O-CB 3.44Å; F427-R431 PolarHBondContact O-N 3.43Å; S428-R431 WeakPolarHBondContact O-CB 3.3Å; S428-R431 PolarHBondContact O-N 3.21Å; R431-M433 VanDerWaalsContact C-N 3.33Å; R431-M433 PolarHBondContact O-N 3.48Å; R431-L434 PolarHBondContact O-N 3.41Å; R431-I435 HydrophobicContact CG-CD1 3.52Å; R431-I435 HydrophobicContact CG-CG1 4.33Å; R431-I435 VanDerWaalsContact O-CB 3.24Å; R431-I435 WeakPolarHBondContact O-CB 3.46Å; R431-I435 WeakPolarHBondContact O-CG1 3.44Å; R431-I435 PolarHBondContact O-N 2.94Å; R431-E956 IonicContact CZ-OE1 2.71Å; R431-E956 VanDerWaalsContact CZ-OE1 3.27Å; R431-E956 IonicContact NE-OE1 2.61Å; R431-E956 PolarHBondContact NE-OE1 2.03Å; R431-E956 IonicContact NE-OE2 2.66Å; R431-E956 IonicContact NH2-OE1 3.33Å; R431-E956 PolarHBondContact NH2-OE1 3Å; R431-E956 IonicContact NH2-OE2 3.67Å
432I84.8Confident86.9Confident0 Ų052.9 Ų52.90%027%0.265CS..Iπ-helixtrans-55.1-47.7174.2-74.5166.9000110.7S428 Q436 V437 T528 I529S428-I432 WeakPolarHBondContact O-CB 3.01Å; S428-I432 VanDerWaalsContact O-CG1 3.27Å; S428-I432 WeakPolarHBondContact O-CG1 3.47Å; S428-I432 PolarHBondContact O-N 3.18Å; I432-Q436 WeakPolarHBondContact O-CB 3.48Å; I432-Q436 PolarHBondContact O-N 3.39Å; I432-V437 HydrophobicContact CG2-CG2 4.2Å; I432-V437 PolarHBondContact O-N 3.38Å; I432-V437 VanDerWaalsContact O-N 3.09Å; I432-T528 WeakPolarHBondContact CD1-OG1 3.23Å; I432-I529 HydrophobicContact CG2-CD1 3.73Å; I432-I529 HydrophobicContact CG2-CG1 4.35Å
433M86.7Confident86.9Confident87 Ų8749 Ų4943%0.42925%0.245SC..Iπ-helixtrans-67.2-42.6-179.3-67.9-64.6163.700112.9W429 T430 R431 V437 L438W429-M433 HydrophobicContact CE3-CE 3.91Å; W429-M433 HydrophobicContact CZ3-CE 3.84Å; W429-M433 VanDerWaalsContact O-CG 3.27Å; W429-M433 WeakPolarHBondContact O-CG 3.28Å; W429-M433 PolarHBondContact O-N 3Å; T430-M433 PolarHBondContact O-N 3.41Å; R431-M433 VanDerWaalsContact C-N 3.33Å; R431-M433 PolarHBondContact O-N 3.48Å; M433-V437 HydrophobicContact SD-CB 4Å; M433-V437 HydrophobicContact SD-CG1 4.22Å; M433-V437 HydrophobicContact SD-CG2 3.9Å; M433-L438 WeakPolarHBondContact O-CB 3.47Å; M433-L438 PolarHBondContact O-N 2.86Å
434L87.2Confident86.9Confident66 Ų6645.6 Ų45.635%0.34623%0.231SC..Iπ-helixtrans-80-29.3-176.9-70.2179000114.8W181 L353 T430 R431 P439W181-L434 WeakPolarHBondContact CZ2-O 3.37Å; L353-L434 HydrophobicContact CD2-CD1 4.39Å; T430-L434 HydrophobicContact CG2-CD1 3.83Å; T430-L434 HydrophobicContact CG2-CG 4.38Å; T430-L434 WeakPolarHBondContact O-CB 3.24Å; T430-L434 WeakPolarHBondContact O-CG 3.29Å; T430-L434 PolarHBondContact O-N 3.34Å; R431-L434 PolarHBondContact O-N 3.41Å; L434-P439 VanDerWaalsContact O-CD 3.24Å; L434-P439 WeakPolarHBondContact O-CD 3.12Å; L434-P439 WeakPolarHBondContact O-CG 3.31Å
435I85.7Confident87.1Confident7 Ų748.6 Ų48.64%0.03625%0.252CS..Iπ-helixtrans-99.5-37.7-175-60-177.8000111.7T177 L353 R431 P439T177-I435 HydrophobicContact CG2-CD1 3.96Å; T177-I435 HydrophobicContact CG2-CG1 4.16Å; T177-I435 HydrophobicContact CG2-CG2 3.96Å; T177-I435 WeakPolarHBondContact OG1-CG2 3.19Å; L353-I435 HydrophobicContact CB-CD1 4.12Å; L353-I435 HydrophobicContact CD1-CD1 4.13Å; L353-I435 HydrophobicContact CD1-CG1 3.87Å; R431-I435 HydrophobicContact CG-CD1 3.52Å; R431-I435 HydrophobicContact CG-CG1 4.33Å; R431-I435 VanDerWaalsContact O-CB 3.24Å; R431-I435 WeakPolarHBondContact O-CB 3.46Å; R431-I435 WeakPolarHBondContact O-CG1 3.44Å; R431-I435 PolarHBondContact O-N 2.94Å; I435-P439 WeakPolarHBondContact O-CG 3.42Å
436Q81.7Confident87.4Confident13 Ų1346.5 Ų46.56%0.06124%0.244CC..Iπ-helixtrans-104.4-66.2-174.1-56.8165.31.400110.4I432 L440 Y526I432-Q436 WeakPolarHBondContact O-CB 3.48Å; I432-Q436 PolarHBondContact O-N 3.39Å; Q436-L440 WeakPolarHBondContact O-CB 3.47Å; Q436-L440 WeakPolarHBondContact O-CD1 3.46Å; Q436-L440 WeakPolarHBondContact O-CG 3.42Å; Q436-L440 PolarHBondContact O-N 3.08Å; Q436-Y526 VanDerWaalsContact CD-CE2 3.46Å; Q436-Y526 VanDerWaalsContact NE2-CZ 3.35Å
437V85.2Confident87.2Confident48 Ų4841.3 Ų41.329%0.29122%0.217SC..Iπ-helixtrans-65.2-56.1-167.2-1760000112.1I432 M433 L440 L441I432-V437 HydrophobicContact CG2-CG2 4.2Å; I432-V437 PolarHBondContact O-N 3.38Å; I432-V437 VanDerWaalsContact O-N 3.09Å; M433-V437 HydrophobicContact SD-CB 4Å; M433-V437 HydrophobicContact SD-CG1 4.22Å; M433-V437 HydrophobicContact SD-CG2 3.9Å; V437-L440 PolarHBondContact O-N 3.43Å; V437-L441 HydrophobicContact CG1-CD1 3.87Å; V437-L441 HydrophobicContact CG1-CG 4.43Å; V437-L441 WeakPolarHBondContact O-CB 3.4Å; V437-L441 VanDerWaalsContact O-CG 3.29Å; V437-L441 WeakPolarHBondContact O-CG 3.28Å; V437-L441 PolarHBondContact O-N 3.04Å
438L89.4Confident87.2Confident91 Ų9146 Ų4648%0.47624%0.238SC..Hα-helixtrans-65.2-45.2-176.5-178.1155.7000112.6M433 L441 F442M433-L438 WeakPolarHBondContact O-CB 3.47Å; M433-L438 PolarHBondContact O-N 2.86Å; L438-L441 PolarHBondContact O-N 3.39Å; L438-F442 WeakPolarHBondContact O-CB 3.18Å; L438-F442 PolarHBondContact O-N 3.02Å
439P88.4Confident87.5Confident0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-63.5-39.6175.2-27.739.5000113.5V180 W181 L184 L434 I435 F442 L443V180-P439 HydrophobicContact CG1-CB 3.49Å; V180-P439 VanDerWaalsContact CG1-CB 3.49Å; V180-P439 HydrophobicContact CG1-CG 4.26Å; W181-P439 HydrophobicContact CH2-CG 4.19Å; W181-P439 HydrophobicContact CZ2-CG 3.85Å; L184-P439 HydrophobicContact CD2-CB 4.31Å; L434-P439 VanDerWaalsContact O-CD 3.24Å; L434-P439 WeakPolarHBondContact O-CD 3.12Å; L434-P439 WeakPolarHBondContact O-CG 3.31Å; I435-P439 WeakPolarHBondContact O-CG 3.42Å; P439-F442 PolarHBondContact O-N 3.45Å; P439-L443 WeakPolarHBondContact O-CB 3.21Å; P439-L443 VanDerWaalsContact O-CG 3.23Å; P439-L443 WeakPolarHBondContact O-CG 3.47Å; P439-L443 PolarHBondContact O-N 3.3Å
440L86.6Confident87.6Confident14 Ų1444 Ų447%0.07324%0.236CC..Hα-helixtrans-67.4-40.8177.2-71.2171.6000112.3Q436 V437 L443 C444 Q519 A523Q436-L440 WeakPolarHBondContact O-CB 3.47Å; Q436-L440 WeakPolarHBondContact O-CD1 3.46Å; Q436-L440 WeakPolarHBondContact O-CG 3.42Å; Q436-L440 PolarHBondContact O-N 3.08Å; V437-L440 PolarHBondContact O-N 3.43Å; L440-L443 HydrophobicContact CD2-CD1 4.22Å; L440-L443 PolarHBondContact O-N 2.84Å; L440-C444 WeakPolarHBondContact O-CB 3.44Å; L440-C444 PolarHBondContact O-N 3.09Å; L440-C444 PolarHBondContact O-SG 3Å; L440-Q519 HydrophobicContact CD1-CB 4.2Å; L440-Q519 HydrophobicContact CD2-CB 3.75Å; L440-A523 HydrophobicContact CD1-CB 4.35Å
441L89.8Confident87.5Confident117 Ų11744.9 Ų44.961%0.61324%0.238SC*.Hα-helixtrans-61.8-45.2174.1-72.7173.1000111.6V437 L438 C444 S445V437-L441 HydrophobicContact CG1-CD1 3.87Å; V437-L441 HydrophobicContact CG1-CG 4.43Å; V437-L441 WeakPolarHBondContact O-CB 3.4Å; V437-L441 VanDerWaalsContact O-CG 3.29Å; V437-L441 WeakPolarHBondContact O-CG 3.28Å; V437-L441 PolarHBondContact O-N 3.04Å; L438-L441 PolarHBondContact O-N 3.39Å; L441-C444 PolarHBondContact O-N 3.35Å; L441-S445 PolarHBondContact O-N 3.34Å
442F91.1Very high87.6Confident98 Ų9852.4 Ų52.443%0.4327%0.266SS..Hα-helixtrans-70.4-37.4179.1-170.9-137.8000112.1L184 V188 L438 P439 S445 V446L184-F442 HydrophobicContact CD1-CB 4.33Å; L184-F442 HydrophobicContact CD1-CD1 3.42Å; L184-F442 VanDerWaalsContact CD1-CD1 3.42Å; L184-F442 HydrophobicContact CD1-CE1 3.94Å; L184-F442 HydrophobicContact CD1-CG 4.11Å; L184-F442 HydrophobicContact CD2-CD1 3.89Å; L184-F442 HydrophobicContact CG-CD1 4.13Å; V188-F442 HydrophobicContact CG2-CE1 3.92Å; V188-F442 HydrophobicContact CG2-CZ 4.14Å; L438-F442 WeakPolarHBondContact O-CB 3.18Å; L438-F442 PolarHBondContact O-N 3.02Å; P439-F442 PolarHBondContact O-N 3.45Å; F442-S445 PolarHBondContact O-N 3Å; F442-V446 HydrophobicContact CD2-CG2 3.88Å; F442-V446 HydrophobicContact CE1-CG2 4.35Å; F442-V446 HydrophobicContact CE2-CG2 3.54Å; F442-V446 HydrophobicContact CG-CG2 4.42Å; F442-V446 HydrophobicContact CZ-CG2 3.78Å; F442-V446 WeakPolarHBondContact O-CB 3.29Å; F442-V446 WeakPolarHBondContact O-CG2 3.36Å; F442-V446 PolarHBondContact O-N 2.93Å
443L89.5Confident87.5Confident0 Ų055.1 Ų55.10%028%0.278CS..Hα-helixtrans-55.5-49.8169-84.9167.3000111.4T183 L184 P439 L440 S445 V446 N447 I512 F515 I516T183-L443 HydrophobicContact CG2-CD2 3.99Å; L184-L443 HydrophobicContact CB-CD2 4.1Å; L184-L443 HydrophobicContact CB-CG 4.16Å; L184-L443 HydrophobicContact CD1-CD2 4.07Å; L184-L443 HydrophobicContact CD1-CG 3.91Å; P439-L443 WeakPolarHBondContact O-CB 3.21Å; P439-L443 VanDerWaalsContact O-CG 3.23Å; P439-L443 WeakPolarHBondContact O-CG 3.47Å; P439-L443 PolarHBondContact O-N 3.3Å; L440-L443 HydrophobicContact CD2-CD1 4.22Å; L440-L443 PolarHBondContact O-N 2.84Å; L443-S445 PolarHBondContact O-N 3.22Å; L443-V446 PolarHBondContact O-N 3.12Å; L443-N447 WeakPolarHBondContact O-CB 3.37Å; L443-N447 PolarHBondContact O-N 2.94Å; L443-N447 PolarHBondContact O-ND2 2.97Å; L443-I512 HydrophobicContact CD2-CG2 3.84Å; L443-F515 HydrophobicContact CD1-CD1 4.37Å; L443-F515 HydrophobicContact CD1-CE1 4.16Å; L443-I516 HydrophobicContact CB-CD1 4.36Å
444C89.1Confident87.4Confident51 Ų5151.6 Ų51.635%0.34526%0.261SS..Hα-helixtrans-59.9-46178.6-69.30000111.5L440 L441 N447 F448L440-C444 WeakPolarHBondContact O-CB 3.44Å; L440-C444 PolarHBondContact O-N 3.09Å; L440-C444 PolarHBondContact O-SG 3Å; L441-C444 PolarHBondContact O-N 3.35Å; C444-N447 PolarHBondContact O-N 2.89Å; C444-F448 WeakPolarHBondContact O-CB 3.44Å; C444-F448 PolarHBondContact O-N 3.24Å
445S90.1Very high87.3Confident65 Ų6554.1 Ų54.146%0.45527%0.271SS..Hα-helixtrans-61.2-48.1177.8-176.60000112.9L441 F442 L443 N447 F448 C449L441-S445 PolarHBondContact O-N 3.34Å; F442-S445 PolarHBondContact O-N 3Å; L443-S445 PolarHBondContact O-N 3.22Å; S445-N447 PolarHBondContact O-N 2.61Å; S445-F448 PolarHBondContact O-N 3.14Å; S445-C449 WeakPolarHBondContact O-CB 3.35Å; S445-C449 PolarHBondContact O-N 3.19Å; S445-C449 PolarHBondContact O-SG 2.89Å
446V88.1Confident87.2Confident9 Ų957 Ų576%0.05529%0.285CS..Hα-helixtrans-66.3-38.5179.2174.40000111.4S187 V188 F442 L443 C449 L450S187-V446 WeakPolarHBondContact OG-CG1 3.38Å; V188-V446 HydrophobicContact CG2-CG2 4.41Å; F442-V446 HydrophobicContact CD2-CG2 3.88Å; F442-V446 HydrophobicContact CE1-CG2 4.35Å; F442-V446 HydrophobicContact CE2-CG2 3.54Å; F442-V446 HydrophobicContact CG-CG2 4.42Å; F442-V446 HydrophobicContact CZ-CG2 3.78Å; F442-V446 WeakPolarHBondContact O-CB 3.29Å; F442-V446 WeakPolarHBondContact O-CG2 3.36Å; F442-V446 PolarHBondContact O-N 2.93Å; L443-V446 PolarHBondContact O-N 3.12Å; V446-C449 PolarHBondContact O-N 3.38Å; V446-L450 HydrophobicContact CG1-CD1 4.18Å; V446-L450 WeakPolarHBondContact O-CB 3.26Å; V446-L450 WeakPolarHBondContact O-CG 3.21Å; V446-L450 PolarHBondContact O-N 2.98Å
447N85.4Confident87Confident5 Ų557.2 Ų57.23%0.02729%0.289CS..Hα-helixtrans-72.2-37178.2-78.1-83.4000112.7L443 C444 S445 C449 L450 L451 I512L443-N447 WeakPolarHBondContact O-CB 3.37Å; L443-N447 PolarHBondContact O-N 2.94Å; L443-N447 PolarHBondContact O-ND2 2.97Å; C444-N447 PolarHBondContact O-N 2.89Å; S445-N447 PolarHBondContact O-N 2.61Å; N447-C449 VanDerWaalsContact C-N 3.33Å; N447-C449 PolarHBondContact O-N 3.31Å; N447-L450 PolarHBondContact O-N 2.73Å; N447-L451 WeakPolarHBondContact O-CB 3.42Å; N447-L451 WeakPolarHBondContact O-CG 3.36Å; N447-L451 PolarHBondContact O-N 3Å; N447-I512 WeakPolarHBondContact ND2-CG2 3.12Å; N447-I512 WeakPolarHBondContact OD1-CD1 3.43Å
448F89.4Confident86.7Confident139 Ų13957.9 Ų57.961%0.6129%0.291SS*.Hα-helixtrans-59.9-43.8169.2-179.4-102.5000111.3C444 S445 L451 R452C444-F448 WeakPolarHBondContact O-CB 3.44Å; C444-F448 PolarHBondContact O-N 3.24Å; S445-F448 PolarHBondContact O-N 3.14Å; F448-L451 PolarHBondContact O-N 2.82Å; F448-R452 VanDerWaalsContact O-CB 3.26Å; F448-R452 WeakPolarHBondContact O-CB 3.29Å; F448-R452 PolarHBondContact O-N 3.32Å
449C89.7Confident86.3Confident40 Ų4059 Ų5927%0.2729%0.293SS..Hα-helixtrans-64-40.5175.6-68.90000112.9Y191 S445 V446 N447 F453Y191-C449 HydrophobicContact CD2-CB 4.3Å; Y191-C449 HydrophobicContact CE2-CB 3.88Å; S445-C449 WeakPolarHBondContact O-CB 3.35Å; S445-C449 PolarHBondContact O-N 3.19Å; S445-C449 PolarHBondContact O-SG 2.89Å; V446-C449 PolarHBondContact O-N 3.38Å; N447-C449 VanDerWaalsContact C-N 3.33Å; N447-C449 PolarHBondContact O-N 3.31Å; C449-F453 WeakPolarHBondContact O-CB 3.18Å; C449-F453 PolarHBondContact O-N 3.37Å
450L86.3Confident85.8Confident1 Ų165.5 Ų65.51%0.00532%0.317CS..Hα-helixtrans-62.3-48.2173.6-84.9168.6000112.4R190 Y191 M194 V446 N447 F453 I454 T505 I509R190-L450 HydrophobicContact CB-CD1 4.46Å; R190-L450 HydrophobicContact CB-CD2 4.43Å; Y191-L450 HydrophobicContact CD2-CD2 4.33Å; Y191-L450 HydrophobicContact CD2-CG 4.27Å; M194-L450 HydrophobicContact CG-CD2 4.14Å; V446-L450 HydrophobicContact CG1-CD1 4.18Å; V446-L450 WeakPolarHBondContact O-CB 3.26Å; V446-L450 WeakPolarHBondContact O-CG 3.21Å; V446-L450 PolarHBondContact O-N 2.98Å; N447-L450 PolarHBondContact O-N 2.73Å; L450-F453 PolarHBondContact O-N 2.87Å; L450-I454 WeakPolarHBondContact O-CG1 3.28Å; L450-I454 PolarHBondContact O-N 3.13Å; L450-T505 HydrophobicContact CD2-CG2 4.12Å; L450-I509 HydrophobicContact CB-CD1 4.02Å; L450-I509 HydrophobicContact CB-CG1 4.41Å; L450-I509 HydrophobicContact CD1-CG1 4.45Å
451L86.9Confident85Confident87 Ų8770.9 Ų70.946%0.45534%0.336SS..Hα-helixtrans-59.9-48.6176.4-79167.5000111.1N447 F448 F453 I454 H455 I509N447-L451 WeakPolarHBondContact O-CB 3.42Å; N447-L451 WeakPolarHBondContact O-CG 3.36Å; N447-L451 PolarHBondContact O-N 3Å; F448-L451 PolarHBondContact O-N 2.82Å; L451-F453 VanDerWaalsContact C-N 3.33Å; L451-F453 PolarHBondContact O-N 3.25Å; L451-I454 PolarHBondContact O-N 2.86Å; L451-H455 WeakPolarHBondContact O-CB 3.49Å; L451-H455 PolarHBondContact O-N 3.49Å; L451-I509 HydrophobicContact CD2-CG2 3.86Å; L451-I509 HydrophobicContact CG-CG2 4.11Å
452R88.1Confident84.2Confident162 Ų16271.2 Ų71.261%0.61134%0.335SS*.Hα-helixtrans-57.4-44.7175.4-174179.7-178.1-162.23.2111.4F448 H455 I456F448-R452 VanDerWaalsContact O-CB 3.26Å; F448-R452 WeakPolarHBondContact O-CB 3.29Å; F448-R452 PolarHBondContact O-N 3.32Å; R452-H455 PolarHBondContact O-N 3.24Å; R452-I456 HydrophobicContact CG-CD1 3.96Å; R452-I456 WeakPolarHBondContact O-CB 3.4Å; R452-I456 WeakPolarHBondContact O-CD1 3.24Å; R452-I456 VanDerWaalsContact O-CG1 3.25Å; R452-I456 WeakPolarHBondContact O-CG1 3.36Å; R452-I456 PolarHBondContact O-N 3.26Å
453F84Confident83.2Confident57 Ų5775.4 Ų75.425%0.2535%0.348CS..Hα-helixtrans-63.4-47.8177.3-176-84.7000112.1M194 C449 L450 L451 H455 I456 A457M194-F453 HydrophobicContact CB-CD1 3.81Å; M194-F453 HydrophobicContact CB-CE1 3.71Å; M194-F453 HydrophobicContact CB-CZ 4.35Å; M194-F453 HydrophobicContact CG-CD1 4.49Å; M194-F453 WeakPolarHBondContact O-CE1 3.33Å; M194-F453 WeakPolarHBondContact O-CZ 3.29Å; C449-F453 WeakPolarHBondContact O-CB 3.18Å; C449-F453 PolarHBondContact O-N 3.37Å; L450-F453 PolarHBondContact O-N 2.87Å; L451-F453 VanDerWaalsContact C-N 3.33Å; L451-F453 PolarHBondContact O-N 3.25Å; F453-H455 PolarHBondContact O-N 3.11Å; F453-I456 PolarHBondContact O-N 2.99Å; F453-A457 HydrophobicContact CE1-CB 4.34Å; F453-A457 VanDerWaalsContact O-CB 3.23Å; F453-A457 WeakPolarHBondContact O-CB 3.48Å; F453-A457 PolarHBondContact O-N 3.43Å
454I83.1Confident81.9Confident13 Ų1383.4 Ų83.47%0.06738%0.379CS..Hα-helixtrans-64-41.2178.4-70.3178.3000111L450 L451 A457 N458 T505 I506 I509L450-I454 WeakPolarHBondContact O-CG1 3.28Å; L450-I454 PolarHBondContact O-N 3.13Å; L451-I454 PolarHBondContact O-N 2.86Å; I454-A457 CarbonylContact O-C 3.51Å; I454-A457 PolarHBondContact O-N 3.43Å; I454-N458 WeakPolarHBondContact O-CB 3.19Å; I454-N458 VanDerWaalsContact O-CG 3.3Å; I454-N458 PolarHBondContact O-N 3.2Å; I454-T505 HydrophobicContact CD1-CG2 3.86Å; I454-I506 HydrophobicContact CD1-CG1 4.41Å; I454-I509 HydrophobicContact CD1-CD1 3.49Å; I454-I509 VanDerWaalsContact CD1-CD1 3.49Å
455H85.2Confident80.5Confident120 Ų12086.7 Ų86.756%0.55639%0.392SS*.Hα-helixtrans-61.7-48.9176.5178.2-132.8000111.6L451 R452 F453 A457 N458 K459L451-H455 WeakPolarHBondContact O-CB 3.49Å; L451-H455 PolarHBondContact O-N 3.49Å; R452-H455 PolarHBondContact O-N 3.24Å; F453-H455 PolarHBondContact O-N 3.11Å; H455-A457 VanDerWaalsContact C-N 3.29Å; H455-A457 PolarHBondContact O-N 3.14Å; H455-N458 WeakPolarHBondContact O-CB 3.27Å; H455-N458 PolarHBondContact O-N 2.86Å; H455-N458 VanDerWaalsContact O-N 3.16Å; H455-K459 WeakPolarHBondContact O-CB 3.37Å; H455-K459 PolarHBondContact O-N 3.01Å
456I84Confident78.7Confident66 Ų6689.8 Ų89.834%0.33840%0.403SS..Hα-helixtrans-58.6-42.4174.2-69.5166.9000110.7R452 F453 N458 K459 R460R452-I456 HydrophobicContact CG-CD1 3.96Å; R452-I456 WeakPolarHBondContact O-CB 3.4Å; R452-I456 WeakPolarHBondContact O-CD1 3.24Å; R452-I456 VanDerWaalsContact O-CG1 3.25Å; R452-I456 WeakPolarHBondContact O-CG1 3.36Å; R452-I456 PolarHBondContact O-N 3.26Å; F453-I456 PolarHBondContact O-N 2.99Å; I456-N458 VanDerWaalsContact C-N 3.33Å; I456-N458 PolarHBondContact O-N 3.46Å; I456-K459 PolarHBondContact O-N 2.93Å; I456-R460 HydrophobicContact CG2-CG 4.39Å; I456-R460 WeakPolarHBondContact O-CB 3.41Å; I456-R460 VanDerWaalsContact O-CG 3.28Å; I456-R460 WeakPolarHBondContact O-CG 3.43Å; I456-R460 PolarHBondContact O-N 3.46Å
457A77Confident76.8Confident18 Ų1894.2 Ų94.215%0.14943%0.432CS..Hα-helixtrans-77.8-13.5-179.600000114.1F453 I454 H455 R502F453-A457 HydrophobicContact CE1-CB 4.34Å; F453-A457 VanDerWaalsContact O-CB 3.23Å; F453-A457 WeakPolarHBondContact O-CB 3.48Å; F453-A457 PolarHBondContact O-N 3.43Å; I454-A457 CarbonylContact O-C 3.51Å; I454-A457 PolarHBondContact O-N 3.43Å; H455-A457 VanDerWaalsContact C-N 3.29Å; H455-A457 PolarHBondContact O-N 3.14Å; A457-R502 VanDerWaalsContact CB-NH2 3.29Å; A457-R502 PolarHBondContact O-NH1 3.37Å; A457-R502 PolarHBondContact O-NH2 3.48Å
458N78.8Confident74.7Confident63 Ų63100.9 Ų100.934%0.33747%0.468SS..Hα-helixtrans-79.5-53.7165-79.1-17.8000109.7I454 H455 I456 R460 R461 Q462 R502I454-N458 WeakPolarHBondContact O-CB 3.19Å; I454-N458 VanDerWaalsContact O-CG 3.3Å; I454-N458 PolarHBondContact O-N 3.2Å; H455-N458 WeakPolarHBondContact O-CB 3.27Å; H455-N458 PolarHBondContact O-N 2.86Å; H455-N458 VanDerWaalsContact O-N 3.16Å; I456-N458 VanDerWaalsContact C-N 3.33Å; I456-N458 PolarHBondContact O-N 3.46Å; N458-R460 VanDerWaalsContact C-N 3.34Å; N458-R460 PolarHBondContact O-N 2.96Å; N458-R461 WeakPolarHBondContact O-CA 3.2Å; N458-R461 WeakPolarHBondContact O-CB 3.4Å; N458-R461 PolarHBondContact O-N 3.27Å; N458-Q462 PolarHBondContact O-N 2.97Å; N458-R502 PolarHBondContact OD1-NH1 3.01Å
459K81.4Confident72.8Confident115 Ų115100.5 Ų100.550%0.548%0.476SS..Hα-helixtrans-57.5-42.3179.5-170.3168-175.1169.10112.3H455 I456 R461 R463H455-K459 WeakPolarHBondContact O-CB 3.37Å; H455-K459 PolarHBondContact O-N 3.01Å; I456-K459 PolarHBondContact O-N 2.93Å; K459-R461 VanDerWaalsContact C-N 3.32Å; K459-R461 PolarHBondContact O-N 3.44Å; K459-R463 PolarHBondContact O-N 3.3Å
460R77.5Confident70.7Confident135 Ų135102.3 Ų102.351%0.50949%0.49SS..Hα-helixtrans-61.1-36.1171.8-75.2177.2-178.51792.1112.7I456 N458 Y464I456-R460 HydrophobicContact CG2-CG 4.39Å; I456-R460 WeakPolarHBondContact O-CB 3.41Å; I456-R460 VanDerWaalsContact O-CG 3.28Å; I456-R460 WeakPolarHBondContact O-CG 3.43Å; I456-R460 PolarHBondContact O-N 3.46Å; N458-R460 VanDerWaalsContact C-N 3.34Å; N458-R460 PolarHBondContact O-N 2.96Å; R460-Y464 WeakPolarHBondContact O-CD2 3.3Å; R460-Y464 WeakPolarHBondContact O-CE2 3.42Å
461R70.2Confident68.5Low128 Ų128110 Ų11048%0.48353%0.531SS..Hα-helixtrans-75.9-38.7-179.8-175.4177.3176.8-176.7-1.7112.5N458 K459 R463 Y464 L465N458-R461 WeakPolarHBondContact O-CA 3.2Å; N458-R461 WeakPolarHBondContact O-CB 3.4Å; N458-R461 PolarHBondContact O-N 3.27Å; K459-R461 VanDerWaalsContact C-N 3.32Å; K459-R461 PolarHBondContact O-N 3.44Å; R461-R463 VanDerWaalsContact C-N 3.28Å; R461-R463 PolarHBondContact O-N 2.88Å; R461-Y464 PolarHBondContact O-N 3.46Å; R461-L465 HydrophobicContact CG-CD1 4.15Å; R461-L465 PolarHBondContact O-N 2.99Å
462Q72.3Confident66.1Low123 Ų123115.3 Ų115.358%0.57555%0.55SS**Hα-helixtrans-59.4-39.9177.4-74.1166-46.900111.7N458 Y464 L465 L466N458-Q462 PolarHBondContact O-N 2.97Å; Q462-Y464 PolarHBondContact O-N 3.39Å; Q462-Y464 VanDerWaalsContact O-N 3.12Å; Q462-L465 PolarHBondContact O-N 3.49Å; Q462-L466 PolarHBondContact O-N 2.99Å
463R70.5Confident63.7Low187 Ų187117.1 Ų117.171%0.70656%0.562SS**THydrogen-bonded Turntrans-59.1-19.1173.9-72.2-178.3173.8-174.6-4.2115.2K459 R461K459-R463 PolarHBondContact O-N 3.3Å; R461-R463 VanDerWaalsContact C-N 3.28Å; R461-R463 PolarHBondContact O-N 2.88Å
464Y62.2Low61.3Low168 Ų168121 Ų12166%0.65959%0.594SS**THydrogen-bonded Turntrans-101.6-1.2175.5-62.6-62.8000113.7R460 R461 Q462R460-Y464 WeakPolarHBondContact O-CD2 3.3Å; R460-Y464 WeakPolarHBondContact O-CE2 3.42Å; R461-Y464 PolarHBondContact O-N 3.46Å; Q462-Y464 PolarHBondContact O-N 3.39Å; Q462-Y464 VanDerWaalsContact O-N 3.12Å
465L60.5Low59.2Low119 Ų119123.6 Ų123.662%0.62362%0.624SS**THydrogen-bonded Turntrans-105.9-19.7178.4-69.5173000112.6R461 Q462 P467R461-L465 HydrophobicContact CG-CD1 4.15Å; R461-L465 PolarHBondContact O-N 2.99Å; Q462-L465 PolarHBondContact O-N 3.49Å; L465-P467 WeakPolarHBondContact O-CD 3.37Å
466L52.2Low56.8Low130 Ų130129.5 Ų129.568%0.68164%0.641SS**SBendtrans-73.9118.6160.2-67.3168.3000108.1Q462Q462-L466 PolarHBondContact O-N 2.99Å
467P47.6Very low54.4Low102 Ų102135.4 Ų135.466%0.66267%0.665SS**  trans-69.7135.3170.529.4-32.6000109.3L465 V469L465-P467 WeakPolarHBondContact O-CD 3.37Å; P467-V469 PolarHBondContact O-N 2.84Å; P467-V469 VanDerWaalsContact O-N 3.1Å
468N42.6Very low52.5Low145 Ų145143.7 Ų143.778%0.77570%0.7SS**  trans-62.6115.4165.5-90.37.1000108.2S470N468-S470 VanDerWaalsContact C-N 3.27Å
469V47.8Very low50.5Low131 Ų131147.3 Ų147.379%0.79472%0.719SS**  trans-77.8-17.6177.1-179.40000111.1P467P467-V469 PolarHBondContact O-N 2.84Å; P467-V469 VanDerWaalsContact O-N 3.1Å
470S46.2Very low48.3Very low79 Ų79148.2 Ų148.255%0.55272%0.724SS**SBendtrans-72137.6170.345.60000112.2N468N468-S470 VanDerWaalsContact C-N 3.27Å
471N40.8Very low46.6Very low161 Ų161150 Ų15086%0.86174%0.736SS**  trans77.758.9177.7-57.1-13.8000117.4K473N471-K473 PolarHBondContact O-N 3.43Å
472K37.1Very low45.1Very low200 Ų200147.1 Ų147.187%0.8774%0.739SS**  trans-67.2111.3148.8-74.3-178.5179.6175.90110
473K36.6Very low43.4Very low199 Ų199146.4 Ų146.487%0.86574%0.74SS**  trans-132.4112152-82.6-163.5175.1-172.90109.3N471 G475N471-K473 PolarHBondContact O-N 3.43Å; K473-G475 VanDerWaalsContact C-N 3.29Å; K473-G475 PolarHBondContact O-N 2.97Å
474P34.8Very low41.7Very low140 Ų140142.2 Ų142.291%0.90973%0.731SS**  trans-80.472-179.833-34.4000111.3
475G37Very low40.3Very low67 Ų67143.2 Ų143.269%0.69173%0.733SS**  trans-87.3132.5177.900000113.2K473 F477K473-G475 VanDerWaalsContact C-N 3.29Å; K473-G475 PolarHBondContact O-N 2.97Å; G475-F477 PolarHBondContact O-N 3.22Å
476R35.1Very low39.3Very low244 Ų244142 Ų14292%0.92173%0.731SS**  trans-63.6119.8172.4-73177.3174.3168-2.9110.5
477F34.9Very low38.6Very low190 Ų190139.3 Ų139.383%0.83372%0.72SS**  trans-142.774.5157.3-124.3-85.5000110.6G475 L479G475-F477 PolarHBondContact O-N 3.22Å; F477-L479 VanDerWaalsContact C-N 3.29Å; F477-L479 HydrophobicContact CD1-CB 4.4Å; F477-L479 PolarHBondContact O-N 3.43Å
478Q37.1Very low38.2Very low192 Ų192141.2 Ų141.290%0.89772%0.718SS**  trans-84.271170.1-69.8-152.449.400110.5
479L36.4Very low38.3Very low139 Ų139139 Ų13973%0.72871%0.709SS**  trans-141.4151.8168.9-144.165.6000111.1F477 K481F477-L479 VanDerWaalsContact C-N 3.29Å; F477-L479 HydrophobicContact CD1-CB 4.4Å; F477-L479 PolarHBondContact O-N 3.43Å; L479-K481 PolarHBondContact O-N 3.08Å
480H35.4Very low38.2Very low134 Ų134138.3 Ų138.362%0.6270%0.701SS**  trans62.419.4174.4-131.2-47.9000119.3A482H480-A482 PolarHBondContact O-N 3.33Å; H480-A482 VanDerWaalsContact O-N 3.07Å
481K42.4Very low38.5Very low171 Ų171141.5 Ų141.574%0.74371%0.705SS**THydrogen-bonded Turntrans-63.2-14.8-178-156.7172.4-174.9177.20115.3L479L479-K481 PolarHBondContact O-N 3.08Å
482A38.5Very low39.3Very low68 Ų68137 Ų13756%0.56269%0.69SS**THydrogen-bonded Turntrans-67.7-62.1179.700000113.1H480 L484 R485H480-A482 PolarHBondContact O-N 3.33Å; H480-A482 VanDerWaalsContact O-N 3.07Å; A482-L484 PolarHBondContact O-N 3.45Å; A482-R485 PolarHBondContact O-N 3.34Å
483N35.1Very low40.2Very low109 Ų109131 Ų13158%0.58367%0.674SS**THydrogen-bonded Turntrans-69.8-5.2-174.2-68.8-0.7000114.5T486N483-T486 PolarHBondContact O-OG1 2.88Å
484L36Very low41.3Very low98 Ų98124.2 Ų124.251%0.51365%0.651SS.*Hα-helixtrans-82-12169.9-105.674.2000114.2A482 T487 K488A482-L484 PolarHBondContact O-N 3.45Å; L484-T487 PolarHBondContact O-OG1 2.87Å; L484-K488 WeakPolarHBondContact O-CG 3.3Å; L484-K488 PolarHBondContact O-N 3.41Å
485R33.2Very low42.9Very low189 Ų189119.9 Ų119.971%0.71363%0.627SS**Hα-helixtrans-71.1-48.6179.6-75.1179.4164.6165.3-5.1111.7A482 T487 K488 V489A482-R485 PolarHBondContact O-N 3.34Å; R485-T487 PolarHBondContact O-N 3.18Å; R485-K488 PolarHBondContact O-N 3.48Å; R485-V489 PolarHBondContact O-N 2.9Å
486T38.6Very low44.6Very low94 Ų94122.9 Ų122.958%0.57762%0.617SS**Hα-helixtrans-61.3-42.2179.454.50000112.6N483 K488 V489N483-T486 PolarHBondContact O-OG1 2.88Å; T486-K488 PolarHBondContact O-N 3.26Å; T486-V489 PolarHBondContact O-N 3.24Å
487T38Very low46.3Very low74 Ų74117.5 Ų117.545%0.45460%0.597SS.*Hα-helixtrans-72.2-24179.451.30000113.8L484 R485 K491L484-T487 PolarHBondContact O-OG1 2.87Å; R485-T487 PolarHBondContact O-N 3.18Å; T487-K491 WeakPolarHBondContact O-CG 3.14Å
488K38.3Very low48.1Very low141 Ų141111.9 Ų111.961%0.61357%0.574SS**Hα-helixtrans-74.5-41.4172.8-81.2-177175.9-173.80113L484 R485 T486 N490 K491 A492L484-K488 WeakPolarHBondContact O-CG 3.3Å; L484-K488 PolarHBondContact O-N 3.41Å; R485-K488 PolarHBondContact O-N 3.48Å; T486-K488 PolarHBondContact O-N 3.26Å; K488-N490 PolarHBondContact O-N 3.01Å; K488-K491 PolarHBondContact O-N 2.98Å; K488-A492 PolarHBondContact O-N 3.05Å; K488-A492 VanDerWaalsContact O-N 3.09Å
489V44.6Very low49.9Very low98 Ų98104.2 Ų104.259%0.59454%0.543SS*.Hα-helixtrans-58.3-47.4178.8173.80000111.2R485 T486 K491 A492 S493R485-V489 PolarHBondContact O-N 2.9Å; T486-V489 PolarHBondContact O-N 3.24Å; V489-K491 VanDerWaalsContact C-N 3.32Å; V489-K491 PolarHBondContact O-N 2.99Å; V489-A492 PolarHBondContact O-N 2.89Å; V489-S493 PolarHBondContact O-N 3.28Å; V489-S493 VanDerWaalsContact O-N 3.1Å
490N45.8Very low51.8Low118 Ų118100.2 Ų100.263%0.63153%0.53SS*.Hα-helixtrans-64-34.5-179.9-69.5-13.7000113.1K488 S494K488-N490 PolarHBondContact O-N 3.01Å; N490-S494 PolarHBondContact O-N 2.93Å
491K53.3Low53.7Low146 Ų14695.7 Ų95.764%0.63551%0.509SS*.Hα-helixtrans-65.4-46.7173-74.8-178.6178.7-174.40111.3T487 K488 V489 S493 S494 A495T487-K491 WeakPolarHBondContact O-CG 3.14Å; K488-K491 PolarHBondContact O-N 2.98Å; V489-K491 VanDerWaalsContact C-N 3.32Å; V489-K491 PolarHBondContact O-N 2.99Å; K491-S493 PolarHBondContact O-N 3.15Å; K491-S494 PolarHBondContact O-N 3.47Å; K491-S494 PolarHBondContact O-OG 3.41Å; K491-A495 PolarHBondContact O-N 3.36Å; K491-A495 VanDerWaalsContact O-N 3.15Å
492A58Low55.3Low66 Ų6689.9 Ų89.955%0.54548%0.483SS..Hα-helixtrans-60.7-43.9-179.200000113K488 V489 S494 A495 R496K488-A492 PolarHBondContact O-N 3.05Å; K488-A492 VanDerWaalsContact O-N 3.09Å; V489-A492 PolarHBondContact O-N 2.89Å; A492-S494 PolarHBondContact O-N 2.75Å; A492-A495 PolarHBondContact O-N 3.31Å; A492-R496 PolarHBondContact O-N 2.73Å
493S55.6Low57.4Low75 Ų7594.3 Ų94.352%0.52449%0.489SS..Hα-helixtrans-59-47.6176.3-175.60000112V489 K491 A495 R496 W497V489-S493 PolarHBondContact O-N 3.28Å; V489-S493 VanDerWaalsContact O-N 3.1Å; K491-S493 PolarHBondContact O-N 3.15Å; S493-A495 VanDerWaalsContact C-N 3.34Å; S493-A495 PolarHBondContact O-N 2.73Å; S493-R496 WeakPolarHBondContact O-CB 3.5Å; S493-R496 PolarHBondContact O-N 3.34Å; S493-R496 VanDerWaalsContact O-N 3.17Å; S493-W497 PolarHBondContact O-N 3.32Å
494S60.4Low59.7Low56 Ų5690.1 Ų90.139%0.39247%0.467SS..Hα-helixtrans-60.7-39.7179.2720000113.2N490 K491 A492 W497 Q498N490-S494 PolarHBondContact O-N 2.93Å; K491-S494 PolarHBondContact O-N 3.47Å; K491-S494 PolarHBondContact O-OG 3.41Å; A492-S494 PolarHBondContact O-N 2.75Å; S494-W497 PolarHBondContact O-N 3.2Å; S494-Q498 WeakPolarHBondContact O-CG 3.21Å; S494-Q498 PolarHBondContact O-N 3.46Å
495A67.7Low62Low48 Ų4885.5 Ų85.540%0.39744%0.443SS..Hα-helixtrans-68.8-35.7177.100000112.6K491 A492 S493 A499K491-A495 PolarHBondContact O-N 3.36Å; K491-A495 VanDerWaalsContact O-N 3.15Å; A492-A495 PolarHBondContact O-N 3.31Å; S493-A495 VanDerWaalsContact C-N 3.34Å; S493-A495 PolarHBondContact O-N 2.73Å; A495-A499 WeakPolarHBondContact O-CB 3.31Å; A495-A499 PolarHBondContact O-N 2.63Å
496R72.1Confident64.5Low130 Ų13080 Ų8049%0.49143%0.427SS..Hα-helixtrans-64.8-44.5174.2-171.8-179-172.8144.94.9111.4A492 S493 A499 A500 V671A492-R496 PolarHBondContact O-N 2.73Å; S493-R496 WeakPolarHBondContact O-CB 3.5Å; S493-R496 PolarHBondContact O-N 3.34Å; S493-R496 VanDerWaalsContact O-N 3.17Å; R496-A499 PolarHBondContact O-N 3.46Å; R496-A500 PolarHBondContact O-N 2.97Å; R496-V671 PolarHBondContact NE-O 2.93Å; R496-V671 PolarHBondContact NH2-O 2.9Å; R496-V671 VanDerWaalsContact NH2-O 3.08Å
497W71.7Confident66.8Low132 Ų13275.8 Ų75.850%0.540%0.4SS..Hα-helixtrans-64.4-44.3176.4-178.691.2000112.1I197 S493 S494 A499 A500 Q501I197-W497 HydrophobicContact CD1-CH2 3.57Å; I197-W497 HydrophobicContact CD1-CZ3 3.5Å; I197-W497 VanDerWaalsContact CD1-CZ3 3.5Å; I197-W497 HydrophobicContact CG1-CH2 3.96Å; I197-W497 HydrophobicContact CG1-CZ3 3.8Å; S493-W497 PolarHBondContact O-N 3.32Å; S494-W497 PolarHBondContact O-N 3.2Å; W497-A499 VanDerWaalsContact C-N 3.3Å; W497-A499 PolarHBondContact O-N 2.67Å; W497-A500 PolarHBondContact O-N 3.47Å; W497-A500 VanDerWaalsContact O-N 3.15Å; W497-Q501 HydrophobicContact CD2-CG 3.95Å; W497-Q501 HydrophobicContact CE3-CG 4.09Å; W497-Q501 HydrophobicContact CH2-CG 3.9Å; W497-Q501 HydrophobicContact CZ2-CG 3.72Å; W497-Q501 HydrophobicContact CZ3-CG 4.08Å; W497-Q501 PolarHBondContact O-N 2.9Å
498Q71.4Confident69.1Low71 Ų7172.3 Ų72.333%0.33238%0.379SS..Hα-helixtrans-59.3-38.9173.8-74.6178.2-2.700112.5I197 S494 Q501 R502I197-Q498 HydrophobicContact CG2-CG 4.06Å; S494-Q498 WeakPolarHBondContact O-CG 3.21Å; S494-Q498 PolarHBondContact O-N 3.46Å; Q498-Q501 PolarHBondContact O-N 2.93Å; Q498-R502 WeakPolarHBondContact O-CB 3.37Å; Q498-R502 PolarHBondContact O-N 3.39Å
499A76.1Confident71.5Confident32 Ų3266.2 Ų66.226%0.26435%0.353SS..Hα-helixtrans-66-37.317600000112.5A495 R496 W497 K503A495-A499 WeakPolarHBondContact O-CB 3.31Å; A495-A499 PolarHBondContact O-N 2.63Å; R496-A499 PolarHBondContact O-N 3.46Å; W497-A499 VanDerWaalsContact C-N 3.3Å; W497-A499 PolarHBondContact O-N 2.67Å; A499-K503 WeakPolarHBondContact O-CG 3.48Å; A499-K503 PolarHBondContact O-N 3.15Å; A499-K503 VanDerWaalsContact O-N 3.15Å
500A75.6Confident73.7Confident55 Ų5564.2 Ų64.246%0.45534%0.341SS..Hα-helixtrans-66.8-46.4173.700000111.9R496 W497 R502 K503 L504R496-A500 PolarHBondContact O-N 2.97Å; W497-A500 PolarHBondContact O-N 3.47Å; W497-A500 VanDerWaalsContact O-N 3.15Å; A500-R502 VanDerWaalsContact C-N 3.34Å; A500-R502 PolarHBondContact O-N 3.46Å; A500-K503 PolarHBondContact O-N 3.4Å; A500-L504 PolarHBondContact O-N 3.35Å
501Q74.6Confident75.8Confident38 Ų3858.8 Ų58.818%0.17831%0.312CS..Hα-helixtrans-61.9-38.4176.3-68.8-63.5-30.400112.3R190 M194 I197 W497 Q498 L504 T505R190-Q501 VanDerWaalsContact NH1-OE1 3.13Å; M194-Q501 HydrophobicContact CE-CB 4.21Å; I197-Q501 HydrophobicContact CD1-CB 4.37Å; I197-Q501 HydrophobicContact CD1-CG 4.43Å; W497-Q501 HydrophobicContact CD2-CG 3.95Å; W497-Q501 HydrophobicContact CE3-CG 4.09Å; W497-Q501 HydrophobicContact CH2-CG 3.9Å; W497-Q501 HydrophobicContact CZ2-CG 3.72Å; W497-Q501 HydrophobicContact CZ3-CG 4.08Å; W497-Q501 PolarHBondContact O-N 2.9Å; Q498-Q501 PolarHBondContact O-N 2.93Å; Q501-L504 PolarHBondContact O-N 2.92Å; Q501-T505 PolarHBondContact O-N 3.27Å; Q501-T505 PolarHBondContact O-OG1 3.25Å
502R77.4Confident77.5Confident49 Ų4951.9 Ų51.919%0.18528%0.282CS..Hα-helixtrans-65.1-41.7175.5-171.6175.5-64.7-179.11.4111.9A457 N458 Q498 A500 T505 I506A457-R502 VanDerWaalsContact CB-NH2 3.29Å; A457-R502 PolarHBondContact O-NH1 3.37Å; A457-R502 PolarHBondContact O-NH2 3.48Å; N458-R502 PolarHBondContact OD1-NH1 3.01Å; Q498-R502 WeakPolarHBondContact O-CB 3.37Å; Q498-R502 PolarHBondContact O-N 3.39Å; A500-R502 VanDerWaalsContact C-N 3.34Å; A500-R502 PolarHBondContact O-N 3.46Å; R502-T505 PolarHBondContact O-N 2.83Å; R502-I506 HydrophobicContact CG-CD1 4.11Å; R502-I506 WeakPolarHBondContact O-CG1 3.46Å; R502-I506 PolarHBondContact O-N 3.5Å
503K83Confident79Confident162 Ų16251.6 Ų51.670%0.70428%0.276SS*.Hα-helixtrans-61-45.3174.8-75.7-174.4176.5-165.80112.4A499 A500 T505 I506 L507A499-K503 WeakPolarHBondContact O-CG 3.48Å; A499-K503 PolarHBondContact O-N 3.15Å; A499-K503 VanDerWaalsContact O-N 3.15Å; A500-K503 PolarHBondContact O-N 3.4Å; K503-T505 VanDerWaalsContact C-N 3.29Å; K503-T505 PolarHBondContact O-N 3.04Å; K503-I506 PolarHBondContact O-N 3.49Å; K503-L507 PolarHBondContact O-N 2.97Å
504L82.6Confident80.7Confident21 Ų2150.6 Ų50.611%0.1126%0.264CS..Hα-helixtrans-63.5-34.2176177.9147.6000112.1Y116 A500 Q501 L507 L508Y116-L504 HydrophobicContact CE1-CD1 4.37Å; Y116-L504 HydrophobicContact CE2-CD1 4.01Å; Y116-L504 WeakPolarHBondContact OH-CD1 3.42Å; A500-L504 PolarHBondContact O-N 3.35Å; Q501-L504 PolarHBondContact O-N 2.92Å; L504-L507 WeakPolarHBondContact O-CB 3.33Å; L504-L508 HydrophobicContact CD2-CD1 3.67Å; L504-L508 HydrophobicContact CG-CD1 4.29Å; L504-L508 WeakPolarHBondContact O-CD1 3.34Å; L504-L508 VanDerWaalsContact O-CG 3.3Å; L504-L508 WeakPolarHBondContact O-CG 3.47Å; L504-L508 PolarHBondContact O-N 3.11Å
505T85.2Confident82.1Confident1 Ų148.4 Ų48.41%0.00625%0.247CC..Hα-helixtrans-73.3-36176.4-46.70000112.1R190 M194 L450 I454 Q501 R502 K503 L508 I509R190-T505 HydrophobicContact CB-CG2 4.38Å; M194-T505 WeakPolarHBondContact CE-OG1 3.46Å; M194-T505 HydrophobicContact CG-CG2 4Å; M194-T505 HydrophobicContact SD-CG2 4.27Å; L450-T505 HydrophobicContact CD2-CG2 4.12Å; I454-T505 HydrophobicContact CD1-CG2 3.86Å; Q501-T505 PolarHBondContact O-N 3.27Å; Q501-T505 PolarHBondContact O-OG1 3.25Å; R502-T505 PolarHBondContact O-N 2.83Å; K503-T505 VanDerWaalsContact C-N 3.29Å; K503-T505 PolarHBondContact O-N 3.04Å; T505-L508 PolarHBondContact O-N 2.8Å; T505-I509 HydrophobicContact CG2-CD1 4.19Å; T505-I509 WeakPolarHBondContact O-CG1 3.27Å; T505-I509 PolarHBondContact O-N 2.91Å
506I84.6Confident83.2Confident74 Ų7447.2 Ų47.238%0.37923%0.234SC..Hα-helixtrans-62.4-45.5173.7-69.3163.1000111I454 R502 K503 L508 I509 V510I454-I506 HydrophobicContact CD1-CG1 4.41Å; R502-I506 HydrophobicContact CG-CD1 4.11Å; R502-I506 WeakPolarHBondContact O-CG1 3.46Å; R502-I506 PolarHBondContact O-N 3.5Å; K503-I506 PolarHBondContact O-N 3.49Å; I506-L508 VanDerWaalsContact C-N 3.26Å; I506-L508 PolarHBondContact O-N 3.35Å; I506-I509 PolarHBondContact O-N 3.05Å; I506-V510 WeakPolarHBondContact O-CG2 3.26Å; I506-V510 PolarHBondContact O-N 2.71Å; I506-V510 VanDerWaalsContact O-N 3.08Å
507L87.2Confident84.2Confident4 Ų443.6 Ų43.62%0.02123%0.232CC..Hα-helixtrans-49.9-48.5172.9166.173.6000111.5K503 L504 V510 I511 V571 Y572 L575 N576K503-L507 PolarHBondContact O-N 2.97Å; L504-L507 WeakPolarHBondContact O-CB 3.33Å; L507-V510 PolarHBondContact O-N 3.02Å; L507-I511 HydrophobicContact CD1-CD1 4.13Å; L507-I511 HydrophobicContact CG-CD1 4.1Å; L507-I511 WeakPolarHBondContact O-CG1 3.26Å; L507-I511 PolarHBondContact O-N 2.72Å; L507-V571 HydrophobicContact CD1-CG1 4.07Å; L507-Y572 HydrophobicContact CD1-CD1 3.92Å; L507-Y572 HydrophobicContact CD1-CE1 4.47Å; L507-Y572 HydrophobicContact CD2-CD1 4.18Å; L507-Y572 HydrophobicContact CD2-CE1 4.44Å; L507-Y572 HydrophobicContact CG-CD1 4.44Å; L507-L575 HydrophobicContact CD1-CB 3.8Å; L507-L575 HydrophobicContact CD1-CD1 4.35Å; L507-N576 HydrophobicContact CD2-CB 4.1Å
508L85.9Confident85.1Confident1 Ų137.3 Ų37.31%0.00521%0.208CC..Hα-helixtrans-74.3-34.9-174.5-66.7167.7000112.7A115 M119 L186 R190 L504 T505 I506 V510 I511 I512A115-L508 HydrophobicContact CB-CD1 4.43Å; M119-L508 HydrophobicContact CE-CD2 4.13Å; M119-L508 HydrophobicContact CG-CD2 3.97Å; M119-L508 HydrophobicContact SD-CD2 3.53Å; M119-L508 VanDerWaalsContact SD-CD2 3.53Å; L186-L508 HydrophobicContact CD1-CD1 4.08Å; L186-L508 HydrophobicContact CD1-CD2 4.46Å; L186-L508 HydrophobicContact CD2-CD2 3.8Å; L186-L508 HydrophobicContact CG-CD2 4.48Å; R190-L508 HydrophobicContact CG-CD1 3.68Å; L504-L508 HydrophobicContact CD2-CD1 3.67Å; L504-L508 HydrophobicContact CG-CD1 4.29Å; L504-L508 WeakPolarHBondContact O-CD1 3.34Å; L504-L508 VanDerWaalsContact O-CG 3.3Å; L504-L508 WeakPolarHBondContact O-CG 3.47Å; L504-L508 PolarHBondContact O-N 3.11Å; T505-L508 PolarHBondContact O-N 2.8Å; I506-L508 VanDerWaalsContact C-N 3.26Å; I506-L508 PolarHBondContact O-N 3.35Å; L508-V510 VanDerWaalsContact C-N 3.32Å; L508-V510 PolarHBondContact O-N 2.83Å; L508-I511 HydrophobicContact CD2-CD1 4.04Å; L508-I511 PolarHBondContact O-N 2.86Å; L508-I512 WeakPolarHBondContact O-CD1 3.37Å; L508-I512 WeakPolarHBondContact O-CG1 3.37Å; L508-I512 PolarHBondContact O-N 2.79Å
509I88.5Confident85.9Confident13 Ų1334.5 Ų34.57%0.06720%0.195CC..Hα-helixtrans-62.3-41.1171.7-69.7165.2000110.7L450 L451 I454 T505 I506 I511 I512 C513L450-I509 HydrophobicContact CB-CD1 4.02Å; L450-I509 HydrophobicContact CB-CG1 4.41Å; L450-I509 HydrophobicContact CD1-CG1 4.45Å; L451-I509 HydrophobicContact CD2-CG2 3.86Å; L451-I509 HydrophobicContact CG-CG2 4.11Å; I454-I509 HydrophobicContact CD1-CD1 3.49Å; I454-I509 VanDerWaalsContact CD1-CD1 3.49Å; T505-I509 HydrophobicContact CG2-CD1 4.19Å; T505-I509 WeakPolarHBondContact O-CG1 3.27Å; T505-I509 PolarHBondContact O-N 2.91Å; I506-I509 PolarHBondContact O-N 3.05Å; I509-I511 VanDerWaalsContact C-N 3.34Å; I509-I511 PolarHBondContact O-N 2.75Å; I509-I512 PolarHBondContact O-N 3.42Å; I509-C513 WeakPolarHBondContact O-CB 3.24Å; I509-C513 PolarHBondContact O-N 3.46Å; I509-C513 PolarHBondContact O-SG 3.24Å
510V90.6Very high86.6Confident57 Ų5736.1 Ų36.135%0.34520%0.198SC..Hα-helixtrans-61.6-42.8176.2173.60000111.3I506 L507 L508 C513 L514 V571 L575I506-V510 WeakPolarHBondContact O-CG2 3.26Å; I506-V510 PolarHBondContact O-N 2.71Å; I506-V510 VanDerWaalsContact O-N 3.08Å; L507-V510 PolarHBondContact O-N 3.02Å; L508-V510 VanDerWaalsContact C-N 3.32Å; L508-V510 PolarHBondContact O-N 2.83Å; V510-C513 PolarHBondContact O-N 3.33Å; V510-L514 HydrophobicContact CG1-CD1 4.09Å; V510-L514 WeakPolarHBondContact O-CG 3.44Å; V510-L514 PolarHBondContact O-N 2.82Å; V510-V571 HydrophobicContact CB-CG1 4.29Å; V510-V571 HydrophobicContact CG1-CG1 3.75Å; V510-L575 HydrophobicContact CB-CD1 4.05Å; V510-L575 HydrophobicContact CG1-CD1 4.14Å; V510-L575 HydrophobicContact CG2-CD1 3.96Å
511I89.7Confident87.3Confident3 Ų335.1 Ų35.12%0.01519%0.187CC..Hα-helixtrans-59.9-48.3175.2-68.4162.7000110.9L507 L508 I509 C513 L514 F515 V571 Y572L507-I511 HydrophobicContact CD1-CD1 4.13Å; L507-I511 HydrophobicContact CG-CD1 4.1Å; L507-I511 WeakPolarHBondContact O-CG1 3.26Å; L507-I511 PolarHBondContact O-N 2.72Å; L508-I511 HydrophobicContact CD2-CD1 4.04Å; L508-I511 PolarHBondContact O-N 2.86Å; I509-I511 VanDerWaalsContact C-N 3.34Å; I509-I511 PolarHBondContact O-N 2.75Å; I511-C513 PolarHBondContact O-N 3.4Å; I511-L514 PolarHBondContact O-N 3.31Å; I511-F515 WeakPolarHBondContact O-CB 3.13Å; I511-F515 PolarHBondContact O-N 2.99Å; I511-V571 HydrophobicContact CD1-CG1 4.5Å; I511-V571 HydrophobicContact CG1-CB 4.17Å; I511-V571 HydrophobicContact CG1-CG1 3.82Å; I511-Y572 HydrophobicContact CD1-CD1 4.05Å; I511-Y572 HydrophobicContact CD1-CE1 3.28Å
512I90Very high88Confident2 Ų233.7 Ų33.71%0.0118%0.18CC..Hα-helixtrans-69.2-34.2-177.9-56.7156000111.6T183 L443 N447 L508 I509 F515 I516T183-I512 HydrophobicContact CG2-CB 4.4Å; T183-I512 HydrophobicContact CG2-CG1 3.83Å; T183-I512 HydrophobicContact CG2-CG2 4.08Å; L443-I512 HydrophobicContact CD2-CG2 3.84Å; N447-I512 WeakPolarHBondContact ND2-CG2 3.12Å; N447-I512 WeakPolarHBondContact OD1-CD1 3.43Å; L508-I512 WeakPolarHBondContact O-CD1 3.37Å; L508-I512 WeakPolarHBondContact O-CG1 3.37Å; L508-I512 PolarHBondContact O-N 2.79Å; I509-I512 PolarHBondContact O-N 3.42Å; I512-F515 PolarHBondContact O-N 2.8Å; I512-I516 HydrophobicContact CG2-CD1 3.88Å; I512-I516 HydrophobicContact CG2-CG1 4.34Å; I512-I516 WeakPolarHBondContact O-CB 3.25Å; I512-I516 WeakPolarHBondContact O-CD1 3.49Å; I512-I516 VanDerWaalsContact O-CG1 3.25Å; I512-I516 WeakPolarHBondContact O-CG1 3.14Å; I512-I516 PolarHBondContact O-N 2.93Å
513C89.8Confident88.4Confident60 Ų6032 Ų3241%0.40518%0.177SC..Hα-helixtrans-65-39172.8-70.50000112.4I509 V510 I511 A517I509-C513 WeakPolarHBondContact O-CB 3.24Å; I509-C513 PolarHBondContact O-N 3.46Å; I509-C513 PolarHBondContact O-SG 3.24Å; V510-C513 PolarHBondContact O-N 3.33Å; I511-C513 PolarHBondContact O-N 3.4Å; C513-A517 WeakPolarHBondContact O-CB 3.42Å; C513-A517 PolarHBondContact O-N 3.48Å; C513-A517 VanDerWaalsContact O-N 3.1Å
514L91.4Very high88.5Confident54 Ų5428.2 Ų28.228%0.28316%0.16SC..Hα-helixtrans-66.4-43.9173.7-72165.9000111.3V510 I511 I516 A517 G518 T564 I567 V571V510-L514 HydrophobicContact CG1-CD1 4.09Å; V510-L514 WeakPolarHBondContact O-CG 3.44Å; V510-L514 PolarHBondContact O-N 2.82Å; I511-L514 PolarHBondContact O-N 3.31Å; L514-I516 PolarHBondContact O-N 3.08Å; L514-A517 WeakPolarHBondContact O-CB 3.34Å; L514-A517 PolarHBondContact O-N 2.98Å; L514-A517 VanDerWaalsContact O-N 3.14Å; L514-G518 PolarHBondContact O-N 2.79Å; L514-T564 WeakPolarHBondContact O-CG2 3.31Å; L514-I567 HydrophobicContact CD1-CG2 4.08Å; L514-V571 HydrophobicContact CD1-CG2 3.59Å
515F90.1Very high88.7Confident10 Ų1027.5 Ų27.54%0.04416%0.158CC..Hα-helixtrans-55.8-51.2174.9-173.3-95.5000111.8V180 T183 L443 I511 I512 A517 G518 Q519 Y565V180-F515 HydrophobicContact CB-CZ 4.19Å; V180-F515 HydrophobicContact CG2-CE1 4.13Å; V180-F515 HydrophobicContact CG2-CZ 3.68Å; T183-F515 HydrophobicContact CG2-CD1 3.94Å; T183-F515 HydrophobicContact CG2-CE1 4.25Å; T183-F515 HydrophobicContact CG2-CG 4.12Å; L443-F515 HydrophobicContact CD1-CD1 4.37Å; L443-F515 HydrophobicContact CD1-CE1 4.16Å; I511-F515 WeakPolarHBondContact O-CB 3.13Å; I511-F515 PolarHBondContact O-N 2.99Å; I512-F515 PolarHBondContact O-N 2.8Å; F515-A517 VanDerWaalsContact C-N 3.26Å; F515-A517 PolarHBondContact O-N 3.34Å; F515-G518 PolarHBondContact O-N 3.49Å; F515-Q519 HydrophobicContact CD1-CG 3.88Å; F515-Q519 HydrophobicContact CD2-CG 4.45Å; F515-Q519 HydrophobicContact CE1-CG 3.66Å; F515-Q519 HydrophobicContact CE2-CG 4.26Å; F515-Q519 HydrophobicContact CG-CG 4.27Å; F515-Q519 HydrophobicContact CZ-CG 3.85Å; F515-Q519 WeakPolarHBondContact O-CB 3.27Å; F515-Q519 VanDerWaalsContact O-CG 3.23Å; F515-Q519 WeakPolarHBondContact O-CG 3.37Å; F515-Q519 PolarHBondContact O-N 3.3Å; F515-Y565 AromaticContact CE2-CE1 4Å; F515-Y565 HydrophobicContact CE2-CE1 4Å
516I90.7Very high88.4Confident23 Ų2328.2 Ų28.212%0.11816%0.16CC..Hα-helixtrans-58.7-37.5176.7-70.1166.1000111.5L443 I512 L514 G518 Q519 I520L443-I516 HydrophobicContact CB-CD1 4.36Å; I512-I516 HydrophobicContact CG2-CD1 3.88Å; I512-I516 HydrophobicContact CG2-CG1 4.34Å; I512-I516 WeakPolarHBondContact O-CB 3.25Å; I512-I516 WeakPolarHBondContact O-CD1 3.49Å; I512-I516 VanDerWaalsContact O-CG1 3.25Å; I512-I516 WeakPolarHBondContact O-CG1 3.14Å; I512-I516 PolarHBondContact O-N 2.93Å; L514-I516 PolarHBondContact O-N 3.08Å; I516-G518 VanDerWaalsContact C-N 3.33Å; I516-G518 PolarHBondContact O-N 2.98Å; I516-Q519 PolarHBondContact O-N 3.3Å; I516-I520 HydrophobicContact CG2-CD1 3.5Å; I516-I520 VanDerWaalsContact CG2-CD1 3.5Å; I516-I520 HydrophobicContact CG2-CG1 4.06Å; I516-I520 WeakPolarHBondContact O-CB 3.46Å; I516-I520 WeakPolarHBondContact O-CG1 3.41Å; I516-I520 PolarHBondContact O-N 3.18Å
517A91.4Very high88Confident53 Ų5325.9 Ų25.944%0.43815%0.149SC..Hα-helixtrans-67.2-27.5-179.600000114.1C513 L514 F515 P521 L560C513-A517 WeakPolarHBondContact O-CB 3.42Å; C513-A517 PolarHBondContact O-N 3.48Å; C513-A517 VanDerWaalsContact O-N 3.1Å; L514-A517 WeakPolarHBondContact O-CB 3.34Å; L514-A517 PolarHBondContact O-N 2.98Å; L514-A517 VanDerWaalsContact O-N 3.14Å; F515-A517 VanDerWaalsContact C-N 3.26Å; F515-A517 PolarHBondContact O-N 3.34Å; A517-P521 WeakPolarHBondContact O-CD 3.25Å; A517-L560 VanDerWaalsContact O-CD2 3.25Å; A517-L560 WeakPolarHBondContact O-CD2 3.33Å
518G90.7Very high87.4Confident0 Ų026.3 Ų26.30%015%0.151CC..Hα-helixtrans-85.9-43.9171.100000112.9L514 F515 I516 I520 P521 Q522L514-G518 PolarHBondContact O-N 2.79Å; F515-G518 PolarHBondContact O-N 3.49Å; I516-G518 VanDerWaalsContact C-N 3.33Å; I516-G518 PolarHBondContact O-N 2.98Å; G518-I520 PolarHBondContact O-N 3.22Å; G518-P521 WeakPolarHBondContact O-CD 3.39Å; G518-Q522 WeakPolarHBondContact O-CB 3.32Å; G518-Q522 PolarHBondContact O-N 3.44Å
519Q89.4Confident87.1Confident13 Ų1327 Ų276%0.06116%0.155CC..Hα-helixtrans-69.2-33.4-173.9-67.7-68.8-37.900113.9L440 F515 I516 Q522 A523 Y565L440-Q519 HydrophobicContact CD1-CB 4.2Å; L440-Q519 HydrophobicContact CD2-CB 3.75Å; F515-Q519 HydrophobicContact CD1-CG 3.88Å; F515-Q519 HydrophobicContact CD2-CG 4.45Å; F515-Q519 HydrophobicContact CE1-CG 3.66Å; F515-Q519 HydrophobicContact CE2-CG 4.26Å; F515-Q519 HydrophobicContact CG-CG 4.27Å; F515-Q519 HydrophobicContact CZ-CG 3.85Å; F515-Q519 WeakPolarHBondContact O-CB 3.27Å; F515-Q519 VanDerWaalsContact O-CG 3.23Å; F515-Q519 WeakPolarHBondContact O-CG 3.37Å; F515-Q519 PolarHBondContact O-N 3.3Å; I516-Q519 PolarHBondContact O-N 3.3Å; Q519-Q522 PolarHBondContact O-N 3.44Å; Q519-A523 VanDerWaalsContact O-CB 3.3Å; Q519-A523 WeakPolarHBondContact O-CB 3.38Å; Q519-A523 PolarHBondContact O-N 2.83Å; Q519-Y565 PolarHBondContact NE2-OH 3.22Å
520I89.4Confident86.8Confident66 Ų6627.8 Ų27.834%0.33816%0.158SC..Hα-helixtrans-65.2-51.9178.3-73.5179.1000111.5I516 G518 Q522 A523 F524I516-I520 HydrophobicContact CG2-CD1 3.5Å; I516-I520 VanDerWaalsContact CG2-CD1 3.5Å; I516-I520 HydrophobicContact CG2-CG1 4.06Å; I516-I520 WeakPolarHBondContact O-CB 3.46Å; I516-I520 WeakPolarHBondContact O-CG1 3.41Å; I516-I520 PolarHBondContact O-N 3.18Å; G518-I520 PolarHBondContact O-N 3.22Å; I520-Q522 VanDerWaalsContact C-N 3.35Å; I520-Q522 PolarHBondContact O-N 2.98Å; I520-A523 PolarHBondContact O-N 3.16Å; I520-F524 HydrophobicContact CG2-CD2 3.94Å; I520-F524 HydrophobicContact CG2-CE2 3.99Å; I520-F524 WeakPolarHBondContact O-CD2 3.32Å; I520-F524 PolarHBondContact O-N 3.37Å; I520-F524 VanDerWaalsContact O-N 3.07Å
521P91.2Very high86.1Confident33 Ų3327.7 Ų27.721%0.21415%0.153CC..Hα-helixtrans-59.2-41.1173.2-29.339.2000113.5A517 G518 A523 F524 A525 Y553 A557 L560A517-P521 WeakPolarHBondContact O-CD 3.25Å; G518-P521 WeakPolarHBondContact O-CD 3.39Å; P521-A523 VanDerWaalsContact C-N 3.33Å; P521-A523 PolarHBondContact O-N 3.27Å; P521-F524 PolarHBondContact O-N 3.06Å; P521-A525 WeakPolarHBondContact O-CB 3.45Å; P521-A525 PolarHBondContact O-N 3.17Å; P521-Y553 PolarHBondContact O-OH 2.88Å; P521-A557 HydrophobicContact CB-CB 3.99Å; P521-A557 WeakPolarHBondContact O-CB 3.33Å; P521-L560 HydrophobicContact CB-CD2 4.35Å; P521-L560 HydrophobicContact CG-CD2 3.95Å
522Q88.8Confident85.6Confident8 Ų830.3 Ų30.34%0.03718%0.175CC..Hα-helixtrans-60.7-41.5176.3-172.7175-9.600111.6E176 G518 Q519 I520 A525 Y526E176-Q522 PolarHBondContact OE1-NE2 2.88Å; G518-Q522 WeakPolarHBondContact O-CB 3.32Å; G518-Q522 PolarHBondContact O-N 3.44Å; Q519-Q522 PolarHBondContact O-N 3.44Å; I520-Q522 VanDerWaalsContact C-N 3.35Å; I520-Q522 PolarHBondContact O-N 2.98Å; Q522-A525 WeakPolarHBondContact O-CB 3.47Å; Q522-A525 PolarHBondContact O-N 3.43Å; Q522-Y526 WeakPolarHBondContact O-CD2 3.41Å; Q522-Y526 WeakPolarHBondContact O-CE2 3.39Å
523A85.9Confident85.1Confident13 Ų1336.1 Ų36.111%0.10720%0.201CC..Hα-helixtrans-64.3-40.5175.500000112.9L440 Q519 I520 P521 A525 Y526 I529L440-A523 HydrophobicContact CD1-CB 4.35Å; Q519-A523 VanDerWaalsContact O-CB 3.3Å; Q519-A523 WeakPolarHBondContact O-CB 3.38Å; Q519-A523 PolarHBondContact O-N 2.83Å; I520-A523 PolarHBondContact O-N 3.16Å; P521-A523 VanDerWaalsContact C-N 3.33Å; P521-A523 PolarHBondContact O-N 3.27Å; A523-A525 VanDerWaalsContact C-N 3.25Å; A523-A525 PolarHBondContact O-N 2.93Å; A523-Y526 WeakPolarHBondContact O-CD2 3.45Å; A523-I529 WeakPolarHBondContact O-CD1 3.38Å
524F85.9Confident84.5Confident83 Ų8334.9 Ų34.936%0.36419%0.19SC..Hα-helixtrans-72.4-16.6174.8-81.9-71.7000113.8I520 P521 I529 F533 Y553I520-F524 HydrophobicContact CG2-CD2 3.94Å; I520-F524 HydrophobicContact CG2-CE2 3.99Å; I520-F524 WeakPolarHBondContact O-CD2 3.32Å; I520-F524 PolarHBondContact O-N 3.37Å; I520-F524 VanDerWaalsContact O-N 3.07Å; P521-F524 PolarHBondContact O-N 3.06Å; F524-I529 HydrophobicContact CD1-CG2 3.82Å; F524-I529 HydrophobicContact CE1-CG2 4.29Å; F524-F533 HydrophobicContact CD1-CD2 4.44Å; F524-F533 HydrophobicContact CE1-CD1 4.46Å; F524-F533 HydrophobicContact CE1-CD2 4.01Å; F524-F533 HydrophobicContact CE1-CE1 4.23Å; F524-F533 AromaticContact CE1-CE2 3.76Å; F524-F533 HydrophobicContact CE1-CE2 3.76Å; F524-F533 HydrophobicContact CE1-CG 4.36Å; F524-F533 AromaticContact CE1-CZ 3.88Å; F524-F533 HydrophobicContact CE1-CZ 3.88Å; F524-F533 HydrophobicContact CZ-CZ 4.44Å; F524-Y553 HydrophobicContact CB-CE1 4.44Å; F524-Y553 VanDerWaalsContact CB-OH 3.26Å; F524-Y553 WeakPolarHBondContact CB-OH 3.46Å
525A85.8Confident83.6Confident6 Ų640.8 Ų40.85%0.0521%0.214CC..THydrogen-bonded Turntrans-80.2-12.3177.500000114.6P521 Q522 A523 I527 Y550 Y553 R554 A557P521-A525 WeakPolarHBondContact O-CB 3.45Å; P521-A525 PolarHBondContact O-N 3.17Å; Q522-A525 WeakPolarHBondContact O-CB 3.47Å; Q522-A525 PolarHBondContact O-N 3.43Å; A523-A525 VanDerWaalsContact C-N 3.25Å; A523-A525 PolarHBondContact O-N 2.93Å; A525-I527 PolarHBondContact O-N 3.06Å; A525-Y550 PolarHBondContact O-OH 3.42Å; A525-Y550 VanDerWaalsContact O-OH 3.12Å; A525-Y553 HydrophobicContact CB-CD1 4.38Å; A525-Y553 HydrophobicContact CB-CE1 4.04Å; A525-R554 HydrophobicContact CB-CB 4.47Å; A525-R554 HydrophobicContact CB-CG 4.48Å; A525-A557 HydrophobicContact CB-CB 3.65Å
526Y79.8Confident82.7Confident17 Ų1748.1 Ų48.17%0.06725%0.248CC..SBendtrans-66124.2171.7-68.1-67.9000110.3Q436 Q522 A523 T528 I529 F530Q436-Y526 VanDerWaalsContact CD-CE2 3.46Å; Q436-Y526 VanDerWaalsContact NE2-CZ 3.35Å; Q522-Y526 WeakPolarHBondContact O-CD2 3.41Å; Q522-Y526 WeakPolarHBondContact O-CE2 3.39Å; A523-Y526 WeakPolarHBondContact O-CD2 3.45Å; Y526-T528 PolarHBondContact O-N 3.18Å; Y526-I529 PolarHBondContact O-N 3.37Å; Y526-F530 PolarHBondContact O-N 3.45Å
527I75.6Confident81.7Confident25 Ų2554.2 Ų54.213%0.12827%0.274CS..Hα-helixtrans-49.5-36.3-174.9-170.365.7000113.2A525 F530 E531 W544 Y550A525-I527 PolarHBondContact O-N 3.06Å; I527-F530 PolarHBondContact O-N 2.86Å; I527-E531 HydrophobicContact CD1-CG 3.8Å; I527-E531 HydrophobicContact CG1-CG 4.04Å; I527-E531 VanDerWaalsContact O-CB 3.29Å; I527-E531 WeakPolarHBondContact O-CB 3.17Å; I527-E531 VanDerWaalsContact O-CG 3.3Å; I527-E531 WeakPolarHBondContact O-CG 3.13Å; I527-E531 PolarHBondContact O-N 3.41Å; I527-W544 HydrophobicContact CD1-CB 4.08Å; I527-Y550 WeakPolarHBondContact CB-OH 3.24Å; I527-Y550 HydrophobicContact CD1-CD1 4.38Å; I527-Y550 HydrophobicContact CD1-CE1 3.8Å; I527-Y550 HydrophobicContact CD1-CE2 3.97Å; I527-Y550 PolarHBondContact N-OH 3.48Å
528T74.1Confident80.1Confident12 Ų1253.4 Ų53.47%0.07427%0.27CS..Hα-helixtrans-66.5-41.2-179.154.60000112.7I432 Y526 A532 Y954I432-T528 WeakPolarHBondContact CD1-OG1 3.23Å; Y526-T528 PolarHBondContact O-N 3.18Å; T528-A532 WeakPolarHBondContact O-CB 3.48Å; T528-A532 PolarHBondContact O-N 2.77Å; T528-Y954 HydrophobicContact CG2-CD1 3.42Å; T528-Y954 VanDerWaalsContact CG2-CD1 3.42Å; T528-Y954 HydrophobicContact CG2-CE1 3.3Å; T528-Y954 HydrophobicContact CG2-CG 4.35Å
529I80.3Confident78.5Confident16 Ų1661.1 Ų61.18%0.08231%0.311CS..Hα-helixtrans-72.9-46.9173.4-67.7171.3000109.1I432 A523 F524 Y526 E531 A532 F533I432-I529 HydrophobicContact CG2-CD1 3.73Å; I432-I529 HydrophobicContact CG2-CG1 4.35Å; A523-I529 WeakPolarHBondContact O-CD1 3.38Å; F524-I529 HydrophobicContact CD1-CG2 3.82Å; F524-I529 HydrophobicContact CE1-CG2 4.29Å; Y526-I529 PolarHBondContact O-N 3.37Å; I529-E531 PolarHBondContact O-N 3.3Å; I529-A532 PolarHBondContact O-N 3.46Å; I529-F533 HydrophobicContact CG2-CD2 3.76Å; I529-F533 HydrophobicContact CG2-CE2 3.93Å; I529-F533 WeakPolarHBondContact O-CD2 3.49Å; I529-F533 PolarHBondContact O-N 3.21Å
530F81.9Confident77.4Confident30 Ų3065.7 Ų65.713%0.13234%0.34CS..Hα-helixtrans-59.7-46.4-177.6-165.2-85.3000112.1Y526 I527 N534 W544 Y550 Y553Y526-F530 PolarHBondContact O-N 3.45Å; I527-F530 PolarHBondContact O-N 2.86Å; F530-N534 WeakPolarHBondContact CD1-ND2 3.42Å; F530-N534 HydrophobicContact CE1-CB 4.35Å; F530-N534 VanDerWaalsContact CE1-ND2 3.27Å; F530-N534 WeakPolarHBondContact CE1-ND2 3.23Å; F530-N534 WeakPolarHBondContact CZ-ND2 3.47Å; F530-N534 VanDerWaalsContact O-CB 3.28Å; F530-N534 WeakPolarHBondContact O-CB 3.21Å; F530-N534 PolarHBondContact O-N 3.07Å; F530-N534 PolarHBondContact O-ND2 2.93Å; F530-W544 HydrophobicContact CD1-CD2 4.41Å; F530-W544 HydrophobicContact CD1-CE3 4.42Å; F530-W544 AromaticContact CE1-CD2 3.98Å; F530-W544 HydrophobicContact CE1-CD2 3.98Å; F530-W544 AromaticContact CE1-CE3 3.61Å; F530-W544 HydrophobicContact CE1-CE3 3.61Å; F530-W544 HydrophobicContact CE1-CH2 4.47Å; F530-W544 AromaticContact CE1-CZ3 3.88Å; F530-W544 HydrophobicContact CE1-CZ3 3.88Å; F530-W544 HydrophobicContact CZ-CZ3 4.45Å; F530-Y550 HydrophobicContact CB-CD2 4.29Å; F530-Y550 HydrophobicContact CB-CE2 3.94Å; F530-Y550 AromaticContact CD1-CD2 3.54Å; F530-Y550 HydrophobicContact CD1-CD2 3.54Å; F530-Y550 HydrophobicContact CD1-CE2 4.06Å; F530-Y550 HydrophobicContact CD1-CG 4.45Å; F530-Y550 AromaticContact CD2-CD2 3.93Å; F530-Y550 HydrophobicContact CD2-CD2 3.93Å; F530-Y550 HydrophobicContact CD2-CE2 4.21Å; F530-Y550 AromaticContact CE1-CD2 3.78Å; F530-Y550 HydrophobicContact CE1-CD2 3.78Å; F530-Y550 HydrophobicContact CE1-CG 4.43Å; F530-Y550 HydrophobicContact CE2-CD2 4.14Å; F530-Y550 AromaticContact CG-CD2 3.63Å; F530-Y550 HydrophobicContact CG-CD2 3.63Å; F530-Y550 AromaticContact CG-CE2 3.79Å; F530-Y550 HydrophobicContact CG-CE2 3.79Å; F530-Y550 HydrophobicContact CZ-CD2 4.07Å; F530-Y553 HydrophobicContact CD2-CD1 4.05Å; F530-Y553 HydrophobicContact CD2-CE1 4.02Å; F530-Y553 AromaticContact CE2-CD1 3.78Å; F530-Y553 HydrophobicContact CE2-CD1 3.78Å; F530-Y553 HydrophobicContact CE2-CE1 4.01Å
531E77.2Confident76.4Confident54 Ų5463.2 Ų63.225%0.25233%0.328SS..Hα-helixtrans-68.3-37.5176.2-69.2-173.2155.600111.9I527 I529 K535 W544I527-E531 HydrophobicContact CD1-CG 3.8Å; I527-E531 HydrophobicContact CG1-CG 4.04Å; I527-E531 VanDerWaalsContact O-CB 3.29Å; I527-E531 WeakPolarHBondContact O-CB 3.17Å; I527-E531 VanDerWaalsContact O-CG 3.3Å; I527-E531 WeakPolarHBondContact O-CG 3.13Å; I527-E531 PolarHBondContact O-N 3.41Å; I529-E531 PolarHBondContact O-N 3.3Å; E531-K535 WeakPolarHBondContact O-CB 3.31Å; E531-K535 PolarHBondContact O-N 2.67Å; E531-W544 HydrophobicContact CG-CB 4.08Å; E531-W544 HydrophobicContact CG-CG 4.18Å
532A77.6Confident75.1Confident58 Ų5872.3 Ų72.348%0.47937%0.365SS..Hα-helixtrans-63.3-42.4177.200000112.9W429 T528 I529W429-A532 HydrophobicContact CH2-CB 4.46Å; T528-A532 WeakPolarHBondContact O-CB 3.48Å; T528-A532 PolarHBondContact O-N 2.77Å; I529-A532 PolarHBondContact O-N 3.46Å
533F80Confident74.1Confident124 Ų12478 Ų7854%0.54439%0.386SS..Hα-helixtrans-73.1-44.9175-84.9-91.3000112.1F524 I529 K535 H536F524-F533 HydrophobicContact CD1-CD2 4.44Å; F524-F533 HydrophobicContact CE1-CD1 4.46Å; F524-F533 HydrophobicContact CE1-CD2 4.01Å; F524-F533 HydrophobicContact CE1-CE1 4.23Å; F524-F533 AromaticContact CE1-CE2 3.76Å; F524-F533 HydrophobicContact CE1-CE2 3.76Å; F524-F533 HydrophobicContact CE1-CG 4.36Å; F524-F533 AromaticContact CE1-CZ 3.88Å; F524-F533 HydrophobicContact CE1-CZ 3.88Å; F524-F533 HydrophobicContact CZ-CZ 4.44Å; I529-F533 HydrophobicContact CG2-CD2 3.76Å; I529-F533 HydrophobicContact CG2-CE2 3.93Å; I529-F533 WeakPolarHBondContact O-CD2 3.49Å; I529-F533 PolarHBondContact O-N 3.21Å; F533-K535 VanDerWaalsContact C-N 3.33Å; F533-K535 PolarHBondContact O-N 3.44Å; F533-H536 PolarHBondContact O-N 2.76Å
534N77.8Confident73.4Confident35 Ų3579 Ų7919%0.18739%0.387CS..Hα-helixtrans-78.2-11.9-175.1-70.7-80.8000114.5F530 H536 F537 W544F530-N534 WeakPolarHBondContact CD1-ND2 3.42Å; F530-N534 HydrophobicContact CE1-CB 4.35Å; F530-N534 VanDerWaalsContact CE1-ND2 3.27Å; F530-N534 WeakPolarHBondContact CE1-ND2 3.23Å; F530-N534 WeakPolarHBondContact CZ-ND2 3.47Å; F530-N534 VanDerWaalsContact O-CB 3.28Å; F530-N534 WeakPolarHBondContact O-CB 3.21Å; F530-N534 PolarHBondContact O-N 3.07Å; F530-N534 PolarHBondContact O-ND2 2.93Å; N534-H536 PolarHBondContact O-N 3.12Å; N534-H536 VanDerWaalsContact O-N 3.12Å; N534-F537 PolarHBondContact O-N 2.94Å; N534-W544 HydrophobicContact CB-CH2 4.31Å; N534-W544 HydrophobicContact CB-CZ2 3.75Å
535K71.3Confident72.4Confident177 Ų17777.5 Ų77.577%0.7738%0.379SS*.G310 helixtrans-54.5-27.6169.1-174.3177.4179.6-174.60112.7E531 F533E531-K535 WeakPolarHBondContact O-CB 3.31Å; E531-K535 PolarHBondContact O-N 2.67Å; F533-K535 VanDerWaalsContact C-N 3.33Å; F533-K535 PolarHBondContact O-N 3.44Å
536H72.8Confident71.7Confident164 Ų16479.5 Ų79.576%0.75939%0.392SS*.G310 helixtrans-77.7-23.5177-168.158.7000113.7F533 N534F533-H536 PolarHBondContact O-N 2.76Å; N534-H536 PolarHBondContact O-N 3.12Å; N534-H536 VanDerWaalsContact O-N 3.12Å
537F67.9Low71.6Confident152 Ų15279.7 Ų79.767%0.66740%0.395SS*.G310 helixtrans-92.911.5-174.8-71-74.1000114.4N534N534-F537 PolarHBondContact O-N 2.94Å
538G59.5Low71.7Confident35 Ų3582.3 Ų82.336%0.36141%0.414SS..  trans80.3176.5173.500000115.3V540G538-V540 VanDerWaalsContact C-N 3.26Å; G538-V540 PolarHBondContact O-N 3.46Å
539N57.2Low72.1Confident162 Ų16285.6 Ų85.687%0.86644%0.436SS*.  trans-82.853.5-166.1-70.3-28.5000114.2C541N539-C541 PolarHBondContact O-N 2.63Å
540V65.4Low72.2Confident109 Ų10985.4 Ų85.466%0.66143%0.434SS*.SBendtrans-57.1-32170.1-177.10000111.2G538 W544G538-V540 VanDerWaalsContact C-N 3.26Å; G538-V540 PolarHBondContact O-N 3.46Å; V540-W544 HydrophobicContact CB-CH2 3.88Å; V540-W544 HydrophobicContact CB-CZ2 4.31Å; V540-W544 HydrophobicContact CG1-CH2 4.34Å
541C67.7Low72.2Confident14 Ų1484.3 Ų84.310%0.09543%0.429CS..  trans-138.6119.3-177.3-83.40000111.5N539 R543 W544 C547N539-C541 PolarHBondContact O-N 2.63Å; C541-R543 PolarHBondContact O-N 2.93Å; C541-W544 HydrophobicContact CB-CD2 3.62Å; C541-W544 HydrophobicContact CB-CE3 3.66Å; C541-W544 HydrophobicContact CB-CG 4.1Å; C541-W544 HydrophobicContact CB-CH2 4.34Å; C541-W544 HydrophobicContact CB-CZ2 4.27Å; C541-W544 HydrophobicContact CB-CZ3 4.04Å; C541-C547 HydrophobicContact CB-CB 4.15Å; C541-C547 WeakPolarHBondContact CB-SG 3.27Å; C541-C547 WeakPolarHBondContact SG-CB 3.43Å; C541-C547 CovalentContact SG-SG 2.03Å; C541-C547 PolarHBondContact SG-SG 2.88Å
542K64Low72.6Confident224 Ų22484.5 Ų84.597%0.97443%0.431SS*.SBendtrans-61.2-23.1172.7-71.9-171.5177-1770113.4
543R67.7Low73.2Confident128 Ų12885.4 Ų85.448%0.48342%0.423SS..  trans-156.994.8177.4-166.3175.8-175.181.5-10109.7C541 R545 C546C541-R543 PolarHBondContact O-N 2.93Å; R543-R545 HydrophobicContact CG-CB 4.19Å; R543-R545 PolarHBondContact O-N 3.29Å; R543-C546 PolarHBondContact O-N 3.1Å
544W72.7Confident73.5Confident34 Ų3480.1 Ų80.113%0.12940%0.399CS..G310 helixtrans-52.4-32.5-174.1-70.4101.5000113.7I527 F530 E531 N534 V540 C541 C546 C547 Y550I527-W544 HydrophobicContact CD1-CB 4.08Å; F530-W544 HydrophobicContact CD1-CD2 4.41Å; F530-W544 HydrophobicContact CD1-CE3 4.42Å; F530-W544 AromaticContact CE1-CD2 3.98Å; F530-W544 HydrophobicContact CE1-CD2 3.98Å; F530-W544 AromaticContact CE1-CE3 3.61Å; F530-W544 HydrophobicContact CE1-CE3 3.61Å; F530-W544 HydrophobicContact CE1-CH2 4.47Å; F530-W544 AromaticContact CE1-CZ3 3.88Å; F530-W544 HydrophobicContact CE1-CZ3 3.88Å; F530-W544 HydrophobicContact CZ-CZ3 4.45Å; E531-W544 HydrophobicContact CG-CB 4.08Å; E531-W544 HydrophobicContact CG-CG 4.18Å; N534-W544 HydrophobicContact CB-CH2 4.31Å; N534-W544 HydrophobicContact CB-CZ2 3.75Å; V540-W544 HydrophobicContact CB-CH2 3.88Å; V540-W544 HydrophobicContact CB-CZ2 4.31Å; V540-W544 HydrophobicContact CG1-CH2 4.34Å; C541-W544 HydrophobicContact CB-CD2 3.62Å; C541-W544 HydrophobicContact CB-CE3 3.66Å; C541-W544 HydrophobicContact CB-CG 4.1Å; C541-W544 HydrophobicContact CB-CH2 4.34Å; C541-W544 HydrophobicContact CB-CZ2 4.27Å; C541-W544 HydrophobicContact CB-CZ3 4.04Å; W544-C546 VanDerWaalsContact C-N 3.28Å; W544-C546 PolarHBondContact O-N 3.37Å; W544-C546 VanDerWaalsContact O-N 3.11Å; W544-C547 HydrophobicContact CE3-CB 4.5Å; W544-C547 WeakPolarHBondContact O-CB 3.39Å; W544-C547 PolarHBondContact O-N 3.11Å; W544-Y550 VanDerWaalsContact O-CD1 3.31Å; W544-Y550 WeakPolarHBondContact O-CD1 3.33Å
545R64.3Low73.9Confident52 Ų5278.4 Ų78.420%0.19639%0.39CS..G310 helixtrans-41.6-43.4175-173-175.2177.673.722.2115.8R543R543-R545 HydrophobicContact CG-CB 4.19Å; R543-R545 PolarHBondContact O-N 3.29Å
546C70.7Confident74.8Confident47 Ų4774.6 Ų74.632%0.31838%0.377SS..G310 helixtrans-103.68.1-179.9-60.40000113.3C74 R543 W544 P548C74-C546 HydrophobicContact CB-CB 3.73Å; C74-C546 WeakPolarHBondContact CB-SG 3.39Å; C74-C546 VanDerWaalsContact SG-CA 3.53Å; C74-C546 WeakPolarHBondContact SG-CB 3.49Å; C74-C546 CovalentContact SG-SG 2.04Å; C74-C546 PolarHBondContact SG-SG 2.88Å; R543-C546 PolarHBondContact O-N 3.1Å; W544-C546 VanDerWaalsContact C-N 3.28Å; W544-C546 PolarHBondContact O-N 3.37Å; W544-C546 VanDerWaalsContact O-N 3.11Å; C546-P548 WeakPolarHBondContact O-CD 3.41Å
547C78.1Confident75.8Confident22 Ų2266.9 Ų66.915%0.14934%0.342CS..  trans-80.6123.9-175.4-86.40000111.9C541 W544 P549 Y550 L551C541-C547 HydrophobicContact CB-CB 4.15Å; C541-C547 WeakPolarHBondContact CB-SG 3.27Å; C541-C547 WeakPolarHBondContact SG-CB 3.43Å; C541-C547 CovalentContact SG-SG 2.03Å; C541-C547 PolarHBondContact SG-SG 2.88Å; W544-C547 HydrophobicContact CE3-CB 4.5Å; W544-C547 WeakPolarHBondContact O-CB 3.39Å; W544-C547 PolarHBondContact O-N 3.11Å; C547-P549 VanDerWaalsContact C-CD 3.48Å; C547-Y550 PolarHBondContact O-N 3.44Å; C547-L551 PolarHBondContact O-N 3.31Å
548P77.7Confident76.8Confident80 Ų8060 Ų6052%0.51931%0.312SS..Hα-helixtrans-48.1-44.9179.7-29.635.8000116.2C546 Y550 L551 I552C546-P548 WeakPolarHBondContact O-CD 3.41Å; P548-Y550 VanDerWaalsContact C-N 3.33Å; P548-Y550 PolarHBondContact O-N 3.45Å; P548-L551 PolarHBondContact O-N 2.04Å; P548-I552 WeakPolarHBondContact O-CB 3.26Å; P548-I552 VanDerWaalsContact O-CG1 3.28Å; P548-I552 WeakPolarHBondContact O-CG1 3.22Å; P548-I552 PolarHBondContact O-N 3Å
549P82Confident78.3Confident81 Ų8159.1 Ų59.153%0.52630%0.299SS..Hα-helixtrans-64.3-35.8179.224.2-34.6000113C547 Y553C547-P549 VanDerWaalsContact C-CD 3.48Å; P549-Y553 WeakPolarHBondContact O-CB 3.35Å; P549-Y553 PolarHBondContact O-N 3.04Å
550Y83.6Confident80Confident11 Ų1154.6 Ų54.64%0.04327%0.274CS..Hα-helixtrans-69.8-44175168-98.5000111.5A525 I527 F530 W544 C547 P548 I552 Y553 R554A525-Y550 PolarHBondContact O-OH 3.42Å; A525-Y550 VanDerWaalsContact O-OH 3.12Å; I527-Y550 WeakPolarHBondContact CB-OH 3.24Å; I527-Y550 HydrophobicContact CD1-CD1 4.38Å; I527-Y550 HydrophobicContact CD1-CE1 3.8Å; I527-Y550 HydrophobicContact CD1-CE2 3.97Å; I527-Y550 PolarHBondContact N-OH 3.48Å; F530-Y550 HydrophobicContact CB-CD2 4.29Å; F530-Y550 HydrophobicContact CB-CE2 3.94Å; F530-Y550 AromaticContact CD1-CD2 3.54Å; F530-Y550 HydrophobicContact CD1-CD2 3.54Å; F530-Y550 HydrophobicContact CD1-CE2 4.06Å; F530-Y550 HydrophobicContact CD1-CG 4.45Å; F530-Y550 AromaticContact CD2-CD2 3.93Å; F530-Y550 HydrophobicContact CD2-CD2 3.93Å; F530-Y550 HydrophobicContact CD2-CE2 4.21Å; F530-Y550 AromaticContact CE1-CD2 3.78Å; F530-Y550 HydrophobicContact CE1-CD2 3.78Å; F530-Y550 HydrophobicContact CE1-CG 4.43Å; F530-Y550 HydrophobicContact CE2-CD2 4.14Å; F530-Y550 AromaticContact CG-CD2 3.63Å; F530-Y550 HydrophobicContact CG-CD2 3.63Å; F530-Y550 AromaticContact CG-CE2 3.79Å; F530-Y550 HydrophobicContact CG-CE2 3.79Å; F530-Y550 HydrophobicContact CZ-CD2 4.07Å; W544-Y550 VanDerWaalsContact O-CD1 3.31Å; W544-Y550 WeakPolarHBondContact O-CD1 3.33Å; C547-Y550 PolarHBondContact O-N 3.44Å; P548-Y550 VanDerWaalsContact C-N 3.33Å; P548-Y550 PolarHBondContact O-N 3.45Å; Y550-I552 PolarHBondContact O-N 3.16Å; Y550-Y553 PolarHBondContact O-N 3.2Å; Y550-R554 VanDerWaalsContact O-CB 3.3Å; Y550-R554 WeakPolarHBondContact O-CB 3.26Å; Y550-R554 PolarHBondContact O-N 3.21Å
551L81.5Confident81.3Confident7 Ų749.4 Ų49.44%0.03724%0.242CC..Hα-helixtrans-60.8-43.2177.5-67.7171.7000112C547 P548 S555C547-L551 PolarHBondContact O-N 3.31Å; P548-L551 PolarHBondContact O-N 2.04Å; L551-S555 WeakPolarHBondContact O-CB 3.17Å; L551-S555 PolarHBondContact O-N 2.81Å; L551-S555 PolarHBondContact O-OG 3.04Å
552I85.4Confident82.5Confident58 Ų5848.8 Ų48.830%0.29724%0.238SC..Hα-helixtrans-66.5-46.2175.9-67.8166.1000110.6P548 Y550 S555 I556P548-I552 WeakPolarHBondContact O-CB 3.26Å; P548-I552 VanDerWaalsContact O-CG1 3.28Å; P548-I552 WeakPolarHBondContact O-CG1 3.22Å; P548-I552 PolarHBondContact O-N 3Å; Y550-I552 PolarHBondContact O-N 3.16Å; I552-S555 PolarHBondContact O-N 3.12Å; I552-I556 HydrophobicContact CG2-CD1 3.72Å; I552-I556 HydrophobicContact CG2-CG1 4.47Å; I552-I556 WeakPolarHBondContact O-CG1 3.3Å; I552-I556 PolarHBondContact O-N 3.47Å
553Y89Confident84Confident78 Ų7842.9 Ų42.931%0.30621%0.213SC..Hα-helixtrans-58.2-49.6176.7175.5-106.6000112P521 F524 A525 F530 P549 Y550 S555 I556 A557P521-Y553 PolarHBondContact O-OH 2.88Å; F524-Y553 HydrophobicContact CB-CE1 4.44Å; F524-Y553 VanDerWaalsContact CB-OH 3.26Å; F524-Y553 WeakPolarHBondContact CB-OH 3.46Å; A525-Y553 HydrophobicContact CB-CD1 4.38Å; A525-Y553 HydrophobicContact CB-CE1 4.04Å; F530-Y553 HydrophobicContact CD2-CD1 4.05Å; F530-Y553 HydrophobicContact CD2-CE1 4.02Å; F530-Y553 AromaticContact CE2-CD1 3.78Å; F530-Y553 HydrophobicContact CE2-CD1 3.78Å; F530-Y553 HydrophobicContact CE2-CE1 4.01Å; P549-Y553 WeakPolarHBondContact O-CB 3.35Å; P549-Y553 PolarHBondContact O-N 3.04Å; Y550-Y553 PolarHBondContact O-N 3.2Å; Y553-S555 VanDerWaalsContact C-N 3.33Å; Y553-S555 PolarHBondContact O-N 2.99Å; Y553-I556 PolarHBondContact O-N 2.95Å; Y553-A557 VanDerWaalsContact O-CB 3.27Å; Y553-A557 WeakPolarHBondContact O-CB 3.13Å; Y553-A557 PolarHBondContact O-N 3.46Å
554R86.6Confident85.2Confident12 Ų1237.2 Ų37.25%0.04519%0.192CC..Hα-helixtrans-55.9-47.3175.7-179.4-172.667.9166.7-0.6111.6E80 A525 Y550 I556 A557 H558 D960E80-R554 IonicContact OE1-CZ 3.65Å; E80-R554 IonicContact OE1-NH2 3.27Å; E80-R554 PolarHBondContact OE1-NH2 3.46Å; A525-R554 HydrophobicContact CB-CB 4.47Å; A525-R554 HydrophobicContact CB-CG 4.48Å; Y550-R554 VanDerWaalsContact O-CB 3.3Å; Y550-R554 WeakPolarHBondContact O-CB 3.26Å; Y550-R554 PolarHBondContact O-N 3.21Å; R554-I556 PolarHBondContact O-N 3.39Å; R554-A557 PolarHBondContact O-N 2.79Å; R554-H558 VanDerWaalsContact O-CB 3.29Å; R554-H558 WeakPolarHBondContact O-CB 3.15Å; R554-H558 PolarHBondContact O-N 3.19Å; R554-D960 IonicContact CZ-OD1 3.52Å; R554-D960 IonicContact CZ-OD2 2.72Å; R554-D960 IonicContact NH1-OD1 2.97Å; R554-D960 PolarHBondContact NH1-OD1 3.28Å; R554-D960 IonicContact NH1-OD2 3.75Å; R554-D960 VanDerWaalsContact NH2-CG 3.28Å; R554-D960 IonicContact NH2-OD1 3.93Å; R554-D960 PolarHBondContact NH2-OD1 3.49Å; R554-D960 IonicContact NH2-OD2 2.73Å; R554-D960 PolarHBondContact NH2-OD2 2.93Å
555S86.8Confident86.2Confident0 Ų035.6 Ų35.60%019%0.186CC..Hα-helixtrans-59-47.7178.2-59.20000111.5L551 I552 Y553 M559L551-S555 WeakPolarHBondContact O-CB 3.17Å; L551-S555 PolarHBondContact O-N 2.81Å; L551-S555 PolarHBondContact O-OG 3.04Å; I552-S555 PolarHBondContact O-N 3.12Å; Y553-S555 VanDerWaalsContact C-N 3.33Å; Y553-S555 PolarHBondContact O-N 2.99Å; S555-M559 WeakPolarHBondContact O-CB 3.46Å; S555-M559 WeakPolarHBondContact O-CG 3.44Å; S555-M559 PolarHBondContact O-N 3.09Å; S555-M559 VanDerWaalsContact O-N 3.14Å
556I90.9Very high87.7Confident96 Ų9633.5 Ų33.549%0.49218%0.18SC..Hα-helixtrans-66.8-43179.7-67.4168.6000111.4I83 I552 Y553 R554 M559 L560I83-I556 HydrophobicContact CD1-CG1 4.43Å; I552-I556 HydrophobicContact CG2-CD1 3.72Å; I552-I556 HydrophobicContact CG2-CG1 4.47Å; I552-I556 WeakPolarHBondContact O-CG1 3.3Å; I552-I556 PolarHBondContact O-N 3.47Å; Y553-I556 PolarHBondContact O-N 2.95Å; R554-I556 PolarHBondContact O-N 3.39Å; I556-M559 PolarHBondContact O-N 2.93Å; I556-L560 WeakPolarHBondContact O-CB 3.38Å; I556-L560 PolarHBondContact O-N 3.39Å
557A92.1Very high88.8Confident2 Ų232.8 Ų32.82%0.01717%0.172CC..Hα-helixtrans-63.8-48.1-179.500000112.6P521 A525 Y553 R554 M559 L560 G561P521-A557 HydrophobicContact CB-CB 3.99Å; P521-A557 WeakPolarHBondContact O-CB 3.33Å; A525-A557 HydrophobicContact CB-CB 3.65Å; Y553-A557 VanDerWaalsContact O-CB 3.27Å; Y553-A557 WeakPolarHBondContact O-CB 3.13Å; Y553-A557 PolarHBondContact O-N 3.46Å; R554-A557 PolarHBondContact O-N 2.79Å; A557-M559 VanDerWaalsContact C-N 3.31Å; A557-M559 PolarHBondContact O-N 3.19Å; A557-L560 PolarHBondContact O-N 3.01Å; A557-G561 PolarHBondContact O-N 2.88Å
558H89.6Confident89.4Confident7 Ų732.1 Ų32.13%0.03217%0.167CC..Hα-helixtrans-58.5-43.3174.8-179-84000111.5Y84 Q88 Y133 R554 L560 G561 L562Y84-H558 AromaticContact CE1-ND1 3.8Å; Q88-H558 PolarHBondContact OE1-CE1 3.18Å; Q88-H558 VanDerWaalsContact OE1-CE1 3.24Å; Y133-H558 AromaticContact CD1-CE1 3.75Å; Y133-H558 AromaticContact CD1-NE2 3.7Å; Y133-H558 AromaticContact CE1-CE1 3.75Å; Y133-H558 AromaticContact CE1-NE2 3.19Å; Y133-H558 WeakPolarHBondContact CE1-NE2 3.43Å; Y133-H558 AromaticContact CZ-NE2 3.94Å; R554-H558 VanDerWaalsContact O-CB 3.29Å; R554-H558 WeakPolarHBondContact O-CB 3.15Å; R554-H558 PolarHBondContact O-N 3.19Å; H558-L560 PolarHBondContact O-N 3.15Å; H558-G561 PolarHBondContact O-N 3.39Å; H558-L562 PolarHBondContact O-N 2.84Å
559M91.5Very high90.2Very high18 Ų1829 Ų299%0.08915%0.145CC..Hα-helixtrans-66-34.6176.6-72.5-62.3-71.700113.7I83 I87 Q88 I91 S555 I556 A557 L562 F563I83-M559 HydrophobicContact CG2-CE 4.43Å; I83-M559 HydrophobicContact CG2-CG 3.37Å; I83-M559 HydrophobicContact CG2-SD 3.92Å; I87-M559 HydrophobicContact CB-CE 3.67Å; I87-M559 HydrophobicContact CG2-CE 3.4Å; Q88-M559 HydrophobicContact CB-CE 4.24Å; Q88-M559 HydrophobicContact CB-SD 3.74Å; Q88-M559 HydrophobicContact CG-SD 4.45Å; I91-M559 HydrophobicContact CD1-CE 3.78Å; S555-M559 WeakPolarHBondContact O-CB 3.46Å; S555-M559 WeakPolarHBondContact O-CG 3.44Å; S555-M559 PolarHBondContact O-N 3.09Å; S555-M559 VanDerWaalsContact O-N 3.14Å; I556-M559 PolarHBondContact O-N 2.93Å; A557-M559 VanDerWaalsContact C-N 3.31Å; A557-M559 PolarHBondContact O-N 3.19Å; M559-L562 HydrophobicContact SD-CD1 4.38Å; M559-F563 VanDerWaalsContact O-CB 3.26Å; M559-F563 WeakPolarHBondContact O-CB 3.45Å; M559-F563 PolarHBondContact O-N 3.39Å
560L93.8Very high90.8Very high66 Ų6630.1 Ų30.135%0.34614%0.143SC..Hα-helixtrans-66.9-40.6175.1-168.567.7000110.9A517 P521 I556 A557 H558 F563 T564A517-L560 VanDerWaalsContact O-CD2 3.25Å; A517-L560 WeakPolarHBondContact O-CD2 3.33Å; P521-L560 HydrophobicContact CB-CD2 4.35Å; P521-L560 HydrophobicContact CG-CD2 3.95Å; I556-L560 WeakPolarHBondContact O-CB 3.38Å; I556-L560 PolarHBondContact O-N 3.39Å; A557-L560 PolarHBondContact O-N 3.01Å; H558-L560 PolarHBondContact O-N 3.15Å; L560-F563 PolarHBondContact O-N 3.35Å; L560-T564 WeakPolarHBondContact O-CG2 3.1Å; L560-T564 PolarHBondContact O-N 2.91Å
561G92.2Very high91.2Very high0 Ų030 Ų300%014%0.143CC..Hα-helixtrans-52.6-60.9168.700000111.9A557 H558 F563 T564 Y565A557-G561 PolarHBondContact O-N 2.88Å; H558-G561 PolarHBondContact O-N 3.39Å; G561-F563 VanDerWaalsContact C-N 3.27Å; G561-F563 PolarHBondContact O-N 2.04Å; G561-T564 PolarHBondContact O-N 2.72Å; G561-T564 PolarHBondContact O-OG1 3.42Å; G561-Y565 WeakPolarHBondContact O-CD2 3.49Å; G561-Y565 PolarHBondContact O-N 2.98Å
562L93.3Very high91.7Very high1 Ų129.7 Ų29.71%0.00514%0.141CC..Hα-helixtrans-54.6-40.1177.7-67.3-177000113.4Q88 I91 L130 Y133 H558 M559 T564 Y565 S566Q88-L562 HydrophobicContact CG-CD1 3.72Å; I91-L562 HydrophobicContact CG2-CB 4.46Å; L130-L562 HydrophobicContact CD2-CD2 4.33Å; Y133-L562 HydrophobicContact CD2-CD2 3.94Å; Y133-L562 HydrophobicContact CG-CD2 4Å; H558-L562 PolarHBondContact O-N 2.84Å; M559-L562 HydrophobicContact SD-CD1 4.38Å; L562-T564 PolarHBondContact O-N 3.31Å; L562-Y565 HydrophobicContact CD2-CD2 4.43Å; L562-Y565 PolarHBondContact O-N 3.2Å; L562-S566 PolarHBondContact O-N 3.23Å; L562-S566 PolarHBondContact O-OG 3.22Å
563F94.5Very high92Very high100 Ų10029.2 Ų29.244%0.43914%0.139SC..Hα-helixtrans-65.5-36.7178.3-172.3-136.7000112.3I91 M559 L560 G561 S566 I567I91-F563 HydrophobicContact CD1-CB 4.47Å; I91-F563 HydrophobicContact CD1-CD2 4.24Å; I91-F563 HydrophobicContact CG2-CD2 4.48Å; M559-F563 VanDerWaalsContact O-CB 3.26Å; M559-F563 WeakPolarHBondContact O-CB 3.45Å; M559-F563 PolarHBondContact O-N 3.39Å; L560-F563 PolarHBondContact O-N 3.35Å; G561-F563 VanDerWaalsContact C-N 3.27Å; G561-F563 PolarHBondContact O-N 2.04Å; F563-S566 WeakPolarHBondContact O-CB 3.32Å; F563-S566 PolarHBondContact O-N 3.21Å; F563-S566 VanDerWaalsContact O-N 3.15Å; F563-I567 HydrophobicContact CD1-CD1 3.68Å; F563-I567 HydrophobicContact CD1-CG1 4.46Å; F563-I567 HydrophobicContact CD2-CD1 4.23Å; F563-I567 HydrophobicContact CD2-CG1 4.15Å; F563-I567 HydrophobicContact CE1-CD1 3.61Å; F563-I567 HydrophobicContact CE1-CG1 4.3Å; F563-I567 HydrophobicContact CE2-CD1 4.16Å; F563-I567 HydrophobicContact CE2-CG1 3.96Å; F563-I567 HydrophobicContact CG-CD1 3.99Å; F563-I567 HydrophobicContact CG-CG1 4.39Å; F563-I567 HydrophobicContact CZ-CD1 3.86Å; F563-I567 HydrophobicContact CZ-CG1 4.03Å; F563-I567 VanDerWaalsContact O-CG1 3.27Å; F563-I567 WeakPolarHBondContact O-CG1 3.46Å; F563-I567 PolarHBondContact O-N 3.39Å
564T93.8Very high92.1Very high9 Ų930.5 Ų30.56%0.05516%0.155CC..Hα-helixtrans-65.7-38.3177.960.40000113.4L514 L560 G561 L562 S566 I567L514-T564 WeakPolarHBondContact O-CG2 3.31Å; L560-T564 WeakPolarHBondContact O-CG2 3.1Å; L560-T564 PolarHBondContact O-N 2.91Å; G561-T564 PolarHBondContact O-N 2.72Å; G561-T564 PolarHBondContact O-OG1 3.42Å; L562-T564 PolarHBondContact O-N 3.31Å; T564-S566 VanDerWaalsContact C-N 3.26Å; T564-S566 PolarHBondContact O-N 3.32Å; T564-I567 PolarHBondContact O-N 3.2Å
565Y93.7Very high92.2Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-58.8-38.3171.3-62-53.1000111.9N99 D126 T129 E176 F515 Q519 G561 L562N99-Y565 PolarHBondContact ND2-O 3.48Å; D126-Y565 HydrophobicContact CB-CD1 4.27Å; D126-Y565 WeakPolarHBondContact OD1-CD1 3.37Å; T129-Y565 HydrophobicContact CG2-CD2 4.03Å; T129-Y565 HydrophobicContact CG2-CE2 3.73Å; E176-Y565 HydrophobicContact CG-CE2 4.42Å; E176-Y565 WeakPolarHBondContact CG-OH 3.29Å; F515-Y565 AromaticContact CE2-CE1 4Å; F515-Y565 HydrophobicContact CE2-CE1 4Å; Q519-Y565 PolarHBondContact NE2-OH 3.22Å; G561-Y565 WeakPolarHBondContact O-CD2 3.49Å; G561-Y565 PolarHBondContact O-N 2.98Å; L562-Y565 HydrophobicContact CD2-CD2 4.43Å; L562-Y565 PolarHBondContact O-N 3.2Å
566S94.7Very high92.2Very high8 Ų834.8 Ų34.86%0.05618%0.178CC..Hα-helixtrans-74.6-31-179.6-60.90000114.7I91 G95 L562 F563 T564 N568I91-S566 PolarHBondContact O-OG 3.21Å; I91-S566 VanDerWaalsContact O-OG 3.11Å; G95-S566 VanDerWaalsContact CA-OG 3.26Å; G95-S566 WeakPolarHBondContact CA-OG 3.48Å; L562-S566 PolarHBondContact O-N 3.23Å; L562-S566 PolarHBondContact O-OG 3.22Å; F563-S566 WeakPolarHBondContact O-CB 3.32Å; F563-S566 PolarHBondContact O-N 3.21Å; F563-S566 VanDerWaalsContact O-N 3.15Å; T564-S566 VanDerWaalsContact C-N 3.26Å; T564-S566 PolarHBondContact O-N 3.32Å; S566-N568 VanDerWaalsContact C-N 3.32Å; S566-N568 PolarHBondContact O-N 3.05Å
567I93.7Very high91.9Very high32 Ų3236.8 Ų36.816%0.16418%0.183CC..Hα-helixtrans-69-26.1-174.2-72.1162.2000113.2L514 F563 T564 F569 F570 V571L514-I567 HydrophobicContact CD1-CG2 4.08Å; F563-I567 HydrophobicContact CD1-CD1 3.68Å; F563-I567 HydrophobicContact CD1-CG1 4.46Å; F563-I567 HydrophobicContact CD2-CD1 4.23Å; F563-I567 HydrophobicContact CD2-CG1 4.15Å; F563-I567 HydrophobicContact CE1-CD1 3.61Å; F563-I567 HydrophobicContact CE1-CG1 4.3Å; F563-I567 HydrophobicContact CE2-CD1 4.16Å; F563-I567 HydrophobicContact CE2-CG1 3.96Å; F563-I567 HydrophobicContact CG-CD1 3.99Å; F563-I567 HydrophobicContact CG-CG1 4.39Å; F563-I567 HydrophobicContact CZ-CD1 3.86Å; F563-I567 HydrophobicContact CZ-CG1 4.03Å; F563-I567 VanDerWaalsContact O-CG1 3.27Å; F563-I567 WeakPolarHBondContact O-CG1 3.46Å; F563-I567 PolarHBondContact O-N 3.39Å; T564-I567 PolarHBondContact O-N 3.2Å; I567-F569 PolarHBondContact O-N 3.07Å; I567-F570 PolarHBondContact O-N 3.19Å; I567-V571 HydrophobicContact CG2-CG2 3.84Å
568N91.8Very high91.7Very high9 Ų941.6 Ų41.65%0.04821%0.206CC..Hα-helixtrans-47.2-40.4-168.7-83-28.5000114.5D126 S566 F570 V571 Y572D126-N568 PolarHBondContact OD2-ND2 3.42Å; S566-N568 VanDerWaalsContact C-N 3.32Å; S566-N568 PolarHBondContact O-N 3.05Å; N568-F570 PolarHBondContact O-N 3.31Å; N568-V571 PolarHBondContact O-N 2.95Å; N568-Y572 HydrophobicContact CB-CE2 4.13Å; N568-Y572 WeakPolarHBondContact O-CD2 3.37Å; N568-Y572 PolarHBondContact O-N 3.29Å; N568-Y572 VanDerWaalsContact O-N 3.15Å
569F94.2Very high91.7Very high13 Ų1341.3 Ų41.36%0.05720%0.204CC..Hα-helixtrans-56.2-42.6174.8176.7-88000114.2L98 L101 N102 I105 I567 V571 Y572 L573 F579 L583L98-F569 HydrophobicContact CB-CB 3.76Å; L98-F569 HydrophobicContact CB-CD2 4.49Å; L98-F569 HydrophobicContact CB-CG 4.11Å; L98-F569 HydrophobicContact CD1-CB 4.28Å; L98-F569 HydrophobicContact CD1-CD1 4.42Å; L98-F569 HydrophobicContact CD2-CB 4.36Å; L98-F569 HydrophobicContact CD2-CD1 3.72Å; L98-F569 HydrophobicContact CD2-CD2 4.22Å; L98-F569 HydrophobicContact CD2-CE1 3.99Å; L98-F569 HydrophobicContact CD2-CE2 4.47Å; L98-F569 HydrophobicContact CD2-CG 3.85Å; L98-F569 HydrophobicContact CD2-CZ 4.36Å; L98-F569 HydrophobicContact CG-CB 4.35Å; L98-F569 HydrophobicContact CG-CD1 4.49Å; L98-F569 HydrophobicContact CG-CG 4.38Å; L101-F569 HydrophobicContact CB-CD2 4.13Å; L101-F569 HydrophobicContact CB-CE2 3.9Å; L101-F569 HydrophobicContact CD1-CE2 3.96Å; L101-F569 HydrophobicContact CD1-CZ 4.36Å; N102-F569 WeakPolarHBondContact OD1-CA 3.22Å; N102-F569 WeakPolarHBondContact OD1-CD2 3.38Å; I105-F569 HydrophobicContact CD1-CE2 4.46Å; I567-F569 PolarHBondContact O-N 3.07Å; F569-V571 VanDerWaalsContact C-N 3.32Å; F569-V571 PolarHBondContact O-N 2.76Å; F569-Y572 PolarHBondContact O-N 3.23Å; F569-L573 HydrophobicContact CE1-CB 4.47Å; F569-L573 HydrophobicContact CE1-CD2 4.03Å; F569-L573 WeakPolarHBondContact O-CB 3.49Å; F569-L573 PolarHBondContact O-N 3.49Å; F569-F579 HydrophobicContact CD2-CE1 4.2Å; F569-F579 AromaticContact CD2-CZ 3.93Å; F569-F579 HydrophobicContact CD2-CZ 3.93Å; F569-F579 HydrophobicContact CE2-CE1 4.05Å; F569-F579 HydrophobicContact CE2-CZ 4.02Å; F569-L583 HydrophobicContact CE2-CD1 4.09Å; F569-L583 HydrophobicContact CE2-CD2 4.44Å; F569-L583 HydrophobicContact CZ-CD1 4.08Å; F569-L583 HydrophobicContact CZ-CD2 3.85Å
570F94Very high91.6Very high106 Ų10646.5 Ų46.547%0.46523%0.226SC..Hα-helixtrans-69.3-31.8-179.3-64.8-74.4000112L98 I567 N568 L573 T574L98-F570 HydrophobicContact CD1-CD2 4.22Å; L98-F570 HydrophobicContact CD1-CE2 3.43Å; L98-F570 VanDerWaalsContact CD1-CE2 3.43Å; L98-F570 HydrophobicContact CD1-CZ 3.86Å; I567-F570 PolarHBondContact O-N 3.19Å; N568-F570 PolarHBondContact O-N 3.31Å; F570-L573 HydrophobicContact CD1-CD2 4.49Å; F570-L573 PolarHBondContact O-N 2.93Å; F570-T574 WeakPolarHBondContact O-CB 3.42Å; F570-T574 WeakPolarHBondContact O-CG2 3.33Å; F570-T574 PolarHBondContact O-N 2.96Å; F570-T574 PolarHBondContact O-OG1 3.31Å
571V92.7Very high91.4Very high8 Ų846.6 Ų46.65%0.04823%0.225CC..Hα-helixtrans-66.2-42.7173.8-163.50000110.5L507 V510 I511 L514 I567 N568 F569 T574 L575L507-V571 HydrophobicContact CD1-CG1 4.07Å; V510-V571 HydrophobicContact CB-CG1 4.29Å; V510-V571 HydrophobicContact CG1-CG1 3.75Å; I511-V571 HydrophobicContact CD1-CG1 4.5Å; I511-V571 HydrophobicContact CG1-CB 4.17Å; I511-V571 HydrophobicContact CG1-CG1 3.82Å; L514-V571 HydrophobicContact CD1-CG2 3.59Å; I567-V571 HydrophobicContact CG2-CG2 3.84Å; N568-V571 PolarHBondContact O-N 2.95Å; F569-V571 VanDerWaalsContact C-N 3.32Å; F569-V571 PolarHBondContact O-N 2.76Å; V571-T574 PolarHBondContact O-OG1 3.04Å; V571-L575 HydrophobicContact CG1-CD1 3.89Å; V571-L575 WeakPolarHBondContact O-CB 3.42Å; V571-L575 PolarHBondContact O-N 3.02Å
572Y92.1Very high91.2Very high0 Ų047.6 Ų47.60%023%0.229CC..Hα-helixtrans-65.3-43.3173.1-58.3-51.1000112.3N102 F106 M119 L507 I511 N568 F569 T574 N576 F579N102-Y572 HydrophobicContact CB-CE2 4.46Å; N102-Y572 WeakPolarHBondContact OD1-CD2 3.44Å; F106-Y572 HydrophobicContact CE2-CD1 4.32Å; F106-Y572 AromaticContact CE2-CD2 3.89Å; F106-Y572 HydrophobicContact CE2-CD2 3.89Å; F106-Y572 HydrophobicContact CE2-CE1 4.09Å; F106-Y572 AromaticContact CE2-CE2 3.67Å; F106-Y572 HydrophobicContact CE2-CE2 3.67Å; F106-Y572 HydrophobicContact CE2-CG 4.23Å; F106-Y572 AromaticContact CE2-CZ 3.78Å; F106-Y572 AromaticContact CZ-CD1 3.66Å; F106-Y572 HydrophobicContact CZ-CD1 3.66Å; F106-Y572 AromaticContact CZ-CD2 3.95Å; F106-Y572 HydrophobicContact CZ-CD2 3.95Å; F106-Y572 AromaticContact CZ-CE1 3.71Å; F106-Y572 HydrophobicContact CZ-CE1 3.71Å; F106-Y572 HydrophobicContact CZ-CE2 4.02Å; F106-Y572 AromaticContact CZ-CG 3.8Å; F106-Y572 HydrophobicContact CZ-CG 3.8Å; F106-Y572 AromaticContact CZ-CZ 3.9Å; M119-Y572 HydrophobicContact CG-CE1 4.33Å; M119-Y572 WeakPolarHBondContact CG-OH 3.47Å; M119-Y572 HydrophobicContact SD-CD1 4.45Å; M119-Y572 HydrophobicContact SD-CE1 3.49Å; M119-Y572 WeakPolarHBondContact SD-CE1 3.41Å; L507-Y572 HydrophobicContact CD1-CD1 3.92Å; L507-Y572 HydrophobicContact CD1-CE1 4.47Å; L507-Y572 HydrophobicContact CD2-CD1 4.18Å; L507-Y572 HydrophobicContact CD2-CE1 4.44Å; L507-Y572 HydrophobicContact CG-CD1 4.44Å; I511-Y572 HydrophobicContact CD1-CD1 4.05Å; I511-Y572 HydrophobicContact CD1-CE1 3.28Å; N568-Y572 HydrophobicContact CB-CE2 4.13Å; N568-Y572 WeakPolarHBondContact O-CD2 3.37Å; N568-Y572 PolarHBondContact O-N 3.29Å; N568-Y572 VanDerWaalsContact O-N 3.15Å; F569-Y572 PolarHBondContact O-N 3.23Å; Y572-T574 VanDerWaalsContact C-N 3.35Å; Y572-T574 PolarHBondContact O-N 3.47Å; Y572-N576 WeakPolarHBondContact O-CA 3.44Å; Y572-N576 VanDerWaalsContact O-CB 3.26Å; Y572-N576 WeakPolarHBondContact O-CB 3.31Å; Y572-N576 PolarHBondContact O-N 3.4Å; Y572-F579 HydrophobicContact CD2-CE2 4.35Å; Y572-F579 HydrophobicContact CD2-CZ 4.43Å; Y572-F579 HydrophobicContact CG-CD2 4.47Å; Y572-F579 HydrophobicContact CG-CE2 4.35Å
573L92.1Very high91.1Very high48 Ų4848 Ų4825%0.25123%0.232SC..Hα-helixtrans-61.8-38.7179.1178.359.8000113.2F569 F570 K580 L583F569-L573 HydrophobicContact CE1-CB 4.47Å; F569-L573 HydrophobicContact CE1-CD2 4.03Å; F569-L573 WeakPolarHBondContact O-CB 3.49Å; F569-L573 PolarHBondContact O-N 3.49Å; F570-L573 HydrophobicContact CD1-CD2 4.49Å; F570-L573 PolarHBondContact O-N 2.93Å; L573-K580 HydrophobicContact CD1-CB 4.36Å; L573-K580 HydrophobicContact CD1-CD 4.29Å; L573-K580 HydrophobicContact CD1-CG 4.09Å; L573-L583 HydrophobicContact CD1-CD2 3.66Å
574T90.4Very high90.7Very high105 Ų10546.4 Ų46.464%0.64423%0.233SC*.Hα-helixtrans-83.4-47.7-177.351.20000112.6F570 V571 Y572F570-T574 WeakPolarHBondContact O-CB 3.42Å; F570-T574 WeakPolarHBondContact O-CG2 3.33Å; F570-T574 PolarHBondContact O-N 2.96Å; F570-T574 PolarHBondContact O-OG1 3.31Å; V571-T574 PolarHBondContact O-OG1 3.04Å; Y572-T574 VanDerWaalsContact C-N 3.35Å; Y572-T574 PolarHBondContact O-N 3.47Å
575L87.9Confident90.4Very high89 Ų8949.6 Ų49.647%0.46625%0.249SC..Hα-helixtrans-94.2-25.8-171.2-58-177.4000114L507 V510 V571L507-L575 HydrophobicContact CD1-CB 3.8Å; L507-L575 HydrophobicContact CD1-CD1 4.35Å; V510-L575 HydrophobicContact CB-CD1 4.05Å; V510-L575 HydrophobicContact CG1-CD1 4.14Å; V510-L575 HydrophobicContact CG2-CD1 3.96Å; V571-L575 HydrophobicContact CG1-CD1 3.89Å; V571-L575 WeakPolarHBondContact O-CB 3.42Å; V571-L575 PolarHBondContact O-N 3.02Å
576N86.9Confident89.9Confident13 Ų1351.2 Ų51.27%0.0726%0.255CS..  trans-101.794.5-176.5-171.3-13.1000112.5L507 Y572 H578 F579 K580L507-N576 HydrophobicContact CD2-CB 4.1Å; Y572-N576 WeakPolarHBondContact O-CA 3.44Å; Y572-N576 VanDerWaalsContact O-CB 3.26Å; Y572-N576 WeakPolarHBondContact O-CB 3.31Å; Y572-N576 PolarHBondContact O-N 3.4Å; N576-H578 PolarHBondContact O-N 2.97Å; N576-H578 VanDerWaalsContact O-N 3.15Å; N576-H578 PolarHBondContact OD1-N 3.2Å; N576-H578 VanDerWaalsContact OD1-N 3.09Å; N576-F579 HydrophobicContact CB-CB 3.74Å; N576-F579 WeakPolarHBondContact O-CB 3.44Å; N576-F579 PolarHBondContact O-N 3.12Å; N576-F579 PolarHBondContact OD1-N 3.18Å; N576-K580 PolarHBondContact O-N 3.29Å
577K85.9Confident89.3Confident138 Ų13856 Ų5660%0.628%0.275SS*.Hα-helixtrans-53.8-35.3177-175.4174.3179.8177.40113.2Q581K577-Q581 VanDerWaalsContact O-CG 3.29Å; K577-Q581 WeakPolarHBondContact O-CG 3.49Å; K577-Q581 PolarHBondContact O-N 3.38Å; K577-Q581 VanDerWaalsContact O-N 3.07Å
578H86.3Confident88.7Confident104 Ų10457.4 Ų57.448%0.48128%0.283SS..Hα-helixtrans-72.8-37.8179.1-67-76.7000112F111 N576 Q581 Q582F111-H578 HydrophobicContact CE1-CB 3.96Å; F111-H578 HydrophobicContact CZ-CB 4.34Å; N576-H578 PolarHBondContact O-N 2.97Å; N576-H578 VanDerWaalsContact O-N 3.15Å; N576-H578 PolarHBondContact OD1-N 3.2Å; N576-H578 VanDerWaalsContact OD1-N 3.09Å; H578-Q581 PolarHBondContact O-N 3.36Å; H578-Q582 PolarHBondContact O-N 3Å
579F90Very high88Confident0 Ų060.9 Ų60.90%030%0.301CS..Hα-helixtrans-60.4-51.3172-175.6-89.8000111N102 I105 F106 F569 Y572 N576 Q581 Q582 L583N102-F579 VanDerWaalsContact OD1-CZ 3.27Å; N102-F579 WeakPolarHBondContact OD1-CZ 3.45Å; I105-F579 HydrophobicContact CB-CD2 4.18Å; I105-F579 HydrophobicContact CB-CE2 3.8Å; I105-F579 HydrophobicContact CB-CZ 4.43Å; I105-F579 HydrophobicContact CD1-CD2 4.49Å; I105-F579 HydrophobicContact CD1-CE1 4.03Å; I105-F579 HydrophobicContact CD1-CE2 3.72Å; I105-F579 HydrophobicContact CD1-CZ 3.45Å; I105-F579 VanDerWaalsContact CD1-CZ 3.45Å; I105-F579 HydrophobicContact CG1-CE2 4.39Å; I105-F579 HydrophobicContact CG2-CD2 3.48Å; I105-F579 VanDerWaalsContact CG2-CD2 3.48Å; I105-F579 HydrophobicContact CG2-CE2 3.63Å; I105-F579 HydrophobicContact CG2-CG 4.16Å; I105-F579 HydrophobicContact CG2-CZ 4.4Å; F106-F579 HydrophobicContact CD1-CD2 4.37Å; F106-F579 AromaticContact CE1-CD2 3.72Å; F106-F579 HydrophobicContact CE1-CD2 3.72Å; F106-F579 HydrophobicContact CE1-CE2 4.25Å; F106-F579 HydrophobicContact CE2-CD2 4.34Å; F106-F579 HydrophobicContact CE2-CE2 4.07Å; F106-F579 AromaticContact CZ-CD2 3.7Å; F106-F579 HydrophobicContact CZ-CD2 3.7Å; F106-F579 AromaticContact CZ-CE2 3.88Å; F106-F579 HydrophobicContact CZ-CE2 3.88Å; F569-F579 HydrophobicContact CD2-CE1 4.2Å; F569-F579 AromaticContact CD2-CZ 3.93Å; F569-F579 HydrophobicContact CD2-CZ 3.93Å; F569-F579 HydrophobicContact CE2-CE1 4.05Å; F569-F579 HydrophobicContact CE2-CZ 4.02Å; Y572-F579 HydrophobicContact CD2-CE2 4.35Å; Y572-F579 HydrophobicContact CD2-CZ 4.43Å; Y572-F579 HydrophobicContact CG-CD2 4.47Å; Y572-F579 HydrophobicContact CG-CE2 4.35Å; N576-F579 HydrophobicContact CB-CB 3.74Å; N576-F579 WeakPolarHBondContact O-CB 3.44Å; N576-F579 PolarHBondContact O-N 3.12Å; N576-F579 PolarHBondContact OD1-N 3.18Å; F579-Q581 VanDerWaalsContact C-N 3.27Å; F579-Q581 PolarHBondContact O-N 2.91Å; F579-Q582 PolarHBondContact O-N 2.95Å; F579-Q582 VanDerWaalsContact O-N 3.11Å; F579-L583 WeakPolarHBondContact O-CB 3.32Å; F579-L583 PolarHBondContact O-N 3.16Å
580K90.7Very high87.1Confident127 Ų12765.1 Ų65.155%0.55232%0.323SS*.Hα-helixtrans-57.1-37.4176.6-175.9168-177.9167.90113L573 N576 S584L573-K580 HydrophobicContact CD1-CB 4.36Å; L573-K580 HydrophobicContact CD1-CD 4.29Å; L573-K580 HydrophobicContact CD1-CG 4.09Å; N576-K580 PolarHBondContact O-N 3.29Å; K580-S584 WeakPolarHBondContact O-CB 3.32Å; K580-S584 PolarHBondContact O-N 3.2Å; K580-S584 VanDerWaalsContact O-N 3.1Å
581Q88Confident85.8Confident68 Ų6862.7 Ų62.732%0.31832%0.319SS..Hα-helixtrans-66.7-46174.7-76.3175.2-4100112.4K577 H578 F579 S584 I585K577-Q581 VanDerWaalsContact O-CG 3.29Å; K577-Q581 WeakPolarHBondContact O-CG 3.49Å; K577-Q581 PolarHBondContact O-N 3.38Å; K577-Q581 VanDerWaalsContact O-N 3.07Å; H578-Q581 PolarHBondContact O-N 3.36Å; F579-Q581 VanDerWaalsContact C-N 3.27Å; F579-Q581 PolarHBondContact O-N 2.91Å; Q581-S584 PolarHBondContact O-N 3.44Å; Q581-I585 WeakPolarHBondContact O-CG1 3.31Å; Q581-I585 PolarHBondContact O-N 2.94Å; Q581-I585 VanDerWaalsContact O-N 3.09Å
582Q89.1Confident84.4Confident21 Ų2167 Ų6710%0.09835%0.347CS..Hα-helixtrans-68.9-38.9178.5-71.3-58.6-45.600112.8I105 F111 H578 F579 S584 I585 W586I105-Q582 HydrophobicContact CG2-CB 3.98Å; F111-Q582 HydrophobicContact CE2-CB 4.1Å; F111-Q582 HydrophobicContact CE2-CG 3.79Å; F111-Q582 HydrophobicContact CZ-CB 4.28Å; F111-Q582 HydrophobicContact CZ-CG 3.93Å; H578-Q582 PolarHBondContact O-N 3Å; F579-Q582 PolarHBondContact O-N 2.95Å; F579-Q582 VanDerWaalsContact O-N 3.11Å; Q582-S584 VanDerWaalsContact C-N 3.34Å; Q582-S584 PolarHBondContact O-N 3.29Å; Q582-I585 PolarHBondContact O-N 3.38Å; Q582-W586 WeakPolarHBondContact O-CB 3.27Å; Q582-W586 PolarHBondContact O-N 3.12Å
583L89.9Confident82.9Confident10 Ų1073.6 Ų73.65%0.05238%0.381CS..Hα-helixtrans-57.4-46172-179.572.7000111.4I105 F569 L573 F579 W586 F587I105-L583 HydrophobicContact CD1-CB 4.12Å; I105-L583 HydrophobicContact CD1-CD1 3.47Å; I105-L583 VanDerWaalsContact CD1-CD1 3.47Å; I105-L583 HydrophobicContact CD1-CG 4.37Å; I105-L583 HydrophobicContact CG1-CD1 4.49Å; F569-L583 HydrophobicContact CE2-CD1 4.09Å; F569-L583 HydrophobicContact CE2-CD2 4.44Å; F569-L583 HydrophobicContact CZ-CD1 4.08Å; F569-L583 HydrophobicContact CZ-CD2 3.85Å; L573-L583 HydrophobicContact CD1-CD2 3.66Å; F579-L583 WeakPolarHBondContact O-CB 3.32Å; F579-L583 PolarHBondContact O-N 3.16Å; L583-W586 PolarHBondContact O-N 3.02Å; L583-F587 HydrophobicContact CD1-CD2 3.94Å; L583-F587 HydrophobicContact CD1-CE2 3.57Å; L583-F587 HydrophobicContact CD1-CZ 4.4Å; L583-F587 HydrophobicContact CD2-CE2 4.17Å; L583-F587 HydrophobicContact CG-CD2 3.83Å; L583-F587 HydrophobicContact CG-CE2 3.75Å; L583-F587 PolarHBondContact O-N 3.11Å
584S87.6Confident81.2Confident67 Ų6771.6 Ų71.647%0.46937%0.371SS..Hα-helixtrans-63.2-42.5177.6178.30000112.5K580 Q581 Q582 W586 L588K580-S584 WeakPolarHBondContact O-CB 3.32Å; K580-S584 PolarHBondContact O-N 3.2Å; K580-S584 VanDerWaalsContact O-N 3.1Å; Q581-S584 PolarHBondContact O-N 3.44Å; Q582-S584 VanDerWaalsContact C-N 3.34Å; Q582-S584 PolarHBondContact O-N 3.29Å; S584-W586 VanDerWaalsContact C-N 3.28Å; S584-W586 PolarHBondContact O-N 2.95Å; S584-L588 VanDerWaalsContact O-CG 3.3Å; S584-L588 WeakPolarHBondContact O-CG 3.24Å; S584-L588 PolarHBondContact O-N 2.97Å
585I86Confident79.3Confident75 Ų7573.4 Ų73.439%0.38537%0.37SS..Hα-helixtrans-62-38.2174.4-68163.6000111Q581 Q582 L589Q581-I585 WeakPolarHBondContact O-CG1 3.31Å; Q581-I585 PolarHBondContact O-N 2.94Å; Q581-I585 VanDerWaalsContact O-N 3.09Å; Q582-I585 PolarHBondContact O-N 3.38Å; I585-L589 HydrophobicContact CG2-CD1 4.26Å; I585-L589 WeakPolarHBondContact O-CG 3.37Å; I585-L589 PolarHBondContact O-N 3.31Å
586W83.7Confident77.8Confident34 Ų3477 Ų7713%0.12938%0.384CS..Hα-helixtrans-72.3-43.5-179.9-172.672.8000113.2L101 I104 Q582 L583 S584 L588 L589 L590L101-W586 HydrophobicContact CD2-CE3 4.26Å; L101-W586 HydrophobicContact CD2-CH2 3.28Å; L101-W586 HydrophobicContact CD2-CZ2 4.36Å; L101-W586 HydrophobicContact CD2-CZ3 3.23Å; I104-W586 HydrophobicContact CD1-CZ2 4.18Å; I104-W586 HydrophobicContact CG2-CD2 4.45Å; I104-W586 HydrophobicContact CG2-CZ2 3.95Å; Q582-W586 WeakPolarHBondContact O-CB 3.27Å; Q582-W586 PolarHBondContact O-N 3.12Å; L583-W586 PolarHBondContact O-N 3.02Å; S584-W586 VanDerWaalsContact C-N 3.28Å; S584-W586 PolarHBondContact O-N 2.95Å; W586-L588 VanDerWaalsContact C-N 3.3Å; W586-L588 PolarHBondContact O-N 3.3Å; W586-L589 WeakPolarHBondContact O-CB 3.4Å; W586-L589 PolarHBondContact O-N 2.83Å; W586-L589 VanDerWaalsContact O-N 3.09Å; W586-L590 HydrophobicContact CD2-CD1 4.07Å; W586-L590 HydrophobicContact CE3-CD1 3.74Å; W586-L590 HydrophobicContact CH2-CD1 3.51Å; W586-L590 HydrophobicContact CZ2-CD1 3.83Å; W586-L590 HydrophobicContact CZ2-CG 4.45Å; W586-L590 HydrophobicContact CZ3-CD1 3.43Å; W586-L590 VanDerWaalsContact CZ3-CD1 3.43Å; W586-L590 PolarHBondContact O-N 3.45Å
587F83.4Confident76.2Confident110 Ų11080.6 Ų80.648%0.48240%0.403SS..Hα-helixtrans-61.2-37.8171.9-86.1-58.1000112.5L583 L590 C591L583-F587 HydrophobicContact CD1-CD2 3.94Å; L583-F587 HydrophobicContact CD1-CE2 3.57Å; L583-F587 HydrophobicContact CD1-CZ 4.4Å; L583-F587 HydrophobicContact CD2-CE2 4.17Å; L583-F587 HydrophobicContact CG-CD2 3.83Å; L583-F587 HydrophobicContact CG-CE2 3.75Å; L583-F587 PolarHBondContact O-N 3.11Å; F587-L590 HydrophobicContact CD1-CD1 4.39Å; F587-L590 PolarHBondContact O-N 3.4Å; F587-C591 PolarHBondContact O-N 3.22Å
588L79.9Confident74.6Confident61 Ų6177.5 Ų77.532%0.31939%0.391SS..Hα-helixtrans-60.4-46.2171.5-72.9167.1000110.7S584 W586 L590 C591 S594S584-L588 VanDerWaalsContact O-CG 3.3Å; S584-L588 WeakPolarHBondContact O-CG 3.24Å; S584-L588 PolarHBondContact O-N 2.97Å; W586-L588 VanDerWaalsContact C-N 3.3Å; W586-L588 PolarHBondContact O-N 3.3Å; L588-L590 VanDerWaalsContact C-N 3.27Å; L588-L590 PolarHBondContact O-N 3.24Å; L588-C591 PolarHBondContact O-N 2.86Å; L588-S594 VanDerWaalsContact O-CB 3.3Å; L588-S594 WeakPolarHBondContact O-CB 3.5Å; L588-S594 PolarHBondContact O-OG 3.18Å
589L76.3Confident72.9Confident81 Ų8181 Ų8142%0.42440%0.4SS..Hα-helixtrans-62.3-30.2178.1-73.6167.1000114I585 W586I585-L589 HydrophobicContact CG2-CD1 4.26Å; I585-L589 WeakPolarHBondContact O-CG 3.37Å; I585-L589 PolarHBondContact O-N 3.31Å; W586-L589 WeakPolarHBondContact O-CB 3.4Å; W586-L589 PolarHBondContact O-N 2.83Å; W586-L589 VanDerWaalsContact O-N 3.09Å
590L76Confident71Confident102 Ų10288.6 Ų88.653%0.53443%0.433SS..Hα-helixtrans-73.5-39.7173.8-78.1171.9000113.1W586 F587 L588 P592W586-L590 HydrophobicContact CD2-CD1 4.07Å; W586-L590 HydrophobicContact CE3-CD1 3.74Å; W586-L590 HydrophobicContact CH2-CD1 3.51Å; W586-L590 HydrophobicContact CZ2-CD1 3.83Å; W586-L590 HydrophobicContact CZ2-CG 4.45Å; W586-L590 HydrophobicContact CZ3-CD1 3.43Å; W586-L590 VanDerWaalsContact CZ3-CD1 3.43Å; W586-L590 PolarHBondContact O-N 3.45Å; F587-L590 HydrophobicContact CD1-CD1 4.39Å; F587-L590 PolarHBondContact O-N 3.4Å; L588-L590 VanDerWaalsContact C-N 3.27Å; L588-L590 PolarHBondContact O-N 3.24Å; L590-P592 VanDerWaalsContact O-CD 3.27Å; L590-P592 WeakPolarHBondContact O-CD 3.42Å
591C67.1Low68.9Low55 Ų5590.1 Ų90.137%0.37244%0.436SS..  trans-71.6112.7-178.5-179.30000110.8F587 L588 I593 S594F587-C591 PolarHBondContact O-N 3.22Å; L588-C591 PolarHBondContact O-N 2.86Å; C591-I593 PolarHBondContact O-N 3.19Å; C591-I593 VanDerWaalsContact O-N 3.11Å; C591-S594 WeakPolarHBondContact O-CB 3.46Å; C591-S594 PolarHBondContact O-N 3.11Å; C591-S594 PolarHBondContact O-OG 3.29Å
592P63.4Low66.9Low99 Ų9990 Ų9064%0.64344%0.442SS*.G310 helixtrans-63.1-26.1-173.624.6-33.6000113L590 S594L590-P592 VanDerWaalsContact O-CD 3.27Å; L590-P592 WeakPolarHBondContact O-CD 3.42Å; P592-S594 VanDerWaalsContact C-N 3.32Å; P592-S594 PolarHBondContact O-N 3.15Å
593I61.2Low64.7Low139 Ų13994.7 Ų94.771%0.71347%0.468SS*.G310 helixtrans-69.7-26.9179.3-54.8170.8000111.7C591 K595C591-I593 PolarHBondContact O-N 3.19Å; C591-I593 VanDerWaalsContact O-N 3.11Å; I593-K595 PolarHBondContact O-N 2.96Å; I593-K595 VanDerWaalsContact O-N 3.11Å
594S55.9Low62.6Low5 Ų5101.3 Ų101.34%0.03550%0.496CS..G310 helixtrans-69.6-14.1-169.588.10000115.2L588 C591 P592 Q596 L597 Q598L588-S594 VanDerWaalsContact O-CB 3.3Å; L588-S594 WeakPolarHBondContact O-CB 3.5Å; L588-S594 PolarHBondContact O-OG 3.18Å; C591-S594 WeakPolarHBondContact O-CB 3.46Å; C591-S594 PolarHBondContact O-N 3.11Å; C591-S594 PolarHBondContact O-OG 3.29Å; P592-S594 VanDerWaalsContact C-N 3.32Å; P592-S594 PolarHBondContact O-N 3.15Å; S594-Q596 PolarHBondContact O-N 2.88Å; S594-L597 WeakPolarHBondContact O-CA 3.3Å; S594-L597 WeakPolarHBondContact O-CB 3.37Å; S594-L597 PolarHBondContact O-N 3.44Å; S594-Q598 PolarHBondContact O-N 3.25Å; S594-Q598 VanDerWaalsContact O-N 3.1Å
595K51.1Low60.7Low144 Ų144104.6 Ų104.663%0.62650%0.504SS*.Hα-helixtrans-60-22.6-173.5-69.2174.5-179.2169.10113.2I593I593-K595 PolarHBondContact O-N 2.96Å; I593-K595 VanDerWaalsContact O-N 3.11Å
596Q54.8Low58.4Low163 Ų163105.1 Ų105.176%0.76251%0.507SS*.Hα-helixtrans-76.4-38.3170.6-59.2-167.49.200112.9S594 R599S594-Q596 PolarHBondContact O-N 2.88Å; Q596-R599 PolarHBondContact O-N 3.33Å
597L54Low56.3Low90 Ų90110.8 Ų110.847%0.47153%0.533SS..Hα-helixtrans-68.2-39.6178.5-85.9153.4000112.5S594 R599 K600 Y601S594-L597 WeakPolarHBondContact O-CA 3.3Å; S594-L597 WeakPolarHBondContact O-CB 3.37Å; S594-L597 PolarHBondContact O-N 3.44Å; L597-R599 PolarHBondContact O-N 3.19Å; L597-K600 PolarHBondContact O-N 2.98Å; L597-Y601 HydrophobicContact CD2-CE2 4.27Å; L597-Y601 WeakPolarHBondContact O-CD2 3.32Å; L597-Y601 PolarHBondContact O-N 3.2Å; L597-Y601 VanDerWaalsContact O-N 3.08Å
598Q53.2Low54.2Low73 Ų73111.7 Ų111.734%0.34154%0.542SS..Hα-helixtrans-57.1-36.9177-77.9-171.6-26.600112.7S594 Y601 S602S594-Q598 PolarHBondContact O-N 3.25Å; S594-Q598 VanDerWaalsContact O-N 3.1Å; Q598-Y601 PolarHBondContact O-N 2.67Å; Q598-S602 PolarHBondContact O-N 3.17Å; Q598-S602 VanDerWaalsContact O-N 3.1Å
599R49.3Very low52.5Low177 Ų177114.2 Ų114.267%0.66856%0.555SS**Hα-helixtrans-63.4-43.2173.5-77.4-176.9170.21620.6112.5Q596 L597 Y601 L603Q596-R599 PolarHBondContact O-N 3.33Å; L597-R599 PolarHBondContact O-N 3.19Å; R599-Y601 PolarHBondContact O-N 2.96Å; R599-L603 WeakPolarHBondContact O-CB 3.44Å; R599-L603 PolarHBondContact O-N 3.09Å; R599-L603 VanDerWaalsContact O-N 3.1Å
600K49.7Very low50.6Low160 Ų160116.1 Ų116.170%0.69657%0.565SS**Hα-helixtrans-62.5-39.3177.1-75.3-174174.9179.60112.1L597 K604L597-K600 PolarHBondContact O-N 2.98Å; K600-K604 PolarHBondContact O-N 3.17Å
601Y48Very low48.9Very low159 Ų159118.9 Ų118.962%0.62458%0.575SS**Hα-helixtrans-69.9-44177.9-82.2-76.1000113.5L597 Q598 R599 K604 Q605L597-Y601 HydrophobicContact CD2-CE2 4.27Å; L597-Y601 WeakPolarHBondContact O-CD2 3.32Å; L597-Y601 PolarHBondContact O-N 3.2Å; L597-Y601 VanDerWaalsContact O-N 3.08Å; Q598-Y601 PolarHBondContact O-N 2.67Å; R599-Y601 PolarHBondContact O-N 2.96Å; Y601-K604 PolarHBondContact O-N 3.26Å; Y601-K604 VanDerWaalsContact O-N 3.16Å; Y601-Q605 PolarHBondContact O-N 3.34Å
602S45.9Very low47.4Very low64 Ų64121.2 Ų121.245%0.44859%0.593SS.*Hα-helixtrans-63-42.8177.21740000112.2Q598 K604 Q605 N606Q598-S602 PolarHBondContact O-N 3.17Å; Q598-S602 VanDerWaalsContact O-N 3.1Å; S602-K604 PolarHBondContact O-N 3.16Å; S602-Q605 PolarHBondContact O-N 2.9Å; S602-N606 PolarHBondContact O-N 2.8Å; S602-N606 VanDerWaalsContact O-N 3.17Å
603L43.3Very low45.8Very low120 Ų120125.9 Ų125.963%0.62860%0.599SS**Hα-helixtrans-59.6-33.4174.1-82.7163.6000112.9R599 N606 K607R599-L603 WeakPolarHBondContact O-CB 3.44Å; R599-L603 PolarHBondContact O-N 3.09Å; R599-L603 VanDerWaalsContact O-N 3.1Å; L603-N606 PolarHBondContact O-N 3.46Å; L603-K607 PolarHBondContact O-N 2.9Å
604K45.5Very low44.2Very low149 Ų149125.3 Ų125.365%0.64860%0.597SS**Hα-helixtrans-72.3-31.7179.9-155.8171.6-173.7179.60112.8K600 Y601 S602 L608K600-K604 PolarHBondContact O-N 3.17Å; Y601-K604 PolarHBondContact O-N 3.26Å; Y601-K604 VanDerWaalsContact O-N 3.16Å; S602-K604 PolarHBondContact O-N 3.16Å; K604-L608 PolarHBondContact O-N 3.38Å
605Q46.2Very low43.1Very low136 Ų136129.9 Ų129.964%0.63663%0.626SS**Hα-helixtrans-69.8-46170.8-70.6-173.7-64.600111.4Y601 S602 K607 L608 I609Y601-Q605 PolarHBondContact O-N 3.34Å; S602-Q605 PolarHBondContact O-N 2.9Å; Q605-K607 VanDerWaalsContact C-N 3.33Å; Q605-K607 PolarHBondContact O-N 2.95Å; Q605-L608 PolarHBondContact O-N 3.44Å; Q605-L608 VanDerWaalsContact O-N 3.09Å; Q605-I609 WeakPolarHBondContact O-CG1 3.44Å; Q605-I609 PolarHBondContact O-N 2.79Å
606N39.4Very low42.1Very low86 Ų86127 Ų12746%0.4663%0.625SS.*Hα-helixtrans-63.6-36.6179.5-68.114.5000112.3S602 L603 L608 I609 N610S602-N606 PolarHBondContact O-N 2.8Å; S602-N606 VanDerWaalsContact O-N 3.17Å; L603-N606 PolarHBondContact O-N 3.46Å; N606-L608 VanDerWaalsContact C-N 3.31Å; N606-L608 PolarHBondContact O-N 3.38Å; N606-I609 PolarHBondContact O-N 2.87Å; N606-N610 WeakPolarHBondContact O-CB 3.32Å; N606-N610 PolarHBondContact O-N 2.58Å; N606-N610 PolarHBondContact O-OD1 3.19Å
607K38.5Very low41Very low154 Ų154128.8 Ų128.867%0.6763%0.63SS**Hα-helixtrans-65-31.2173.5-108.1-166173.3-165.50113.6L603 Q605 H611L603-K607 PolarHBondContact O-N 2.9Å; Q605-K607 VanDerWaalsContact C-N 3.33Å; Q605-K607 PolarHBondContact O-N 2.95Å; K607-H611 PolarHBondContact O-CD2 3.08Å; K607-H611 PolarHBondContact O-N 2.72Å
608L39.9Very low39.8Very low128 Ų128129.8 Ų129.867%0.6764%0.644SS**Hα-helixtrans-75.9-35.7176.5-90159.7000112.5K604 Q605 N606K604-L608 PolarHBondContact O-N 3.38Å; Q605-L608 PolarHBondContact O-N 3.44Å; Q605-L608 VanDerWaalsContact O-N 3.09Å; N606-L608 VanDerWaalsContact C-N 3.31Å; N606-L608 PolarHBondContact O-N 3.38Å
609I43.6Very low38.6Very low114 Ų114135.7 Ų135.759%0.58567%0.672SS**Hα-helixtrans-66.7-48.1174.8-65.9165000109.9Q605 N606 H611 S612Q605-I609 WeakPolarHBondContact O-CG1 3.44Å; Q605-I609 PolarHBondContact O-N 2.79Å; N606-I609 PolarHBondContact O-N 2.87Å; I609-H611 VanDerWaalsContact C-N 3.3Å; I609-H611 PolarHBondContact O-N 3.44Å; I609-S612 PolarHBondContact O-N 2.75Å; I609-S612 VanDerWaalsContact O-N 3.08Å
610N36Very low37.6Very low121 Ų121135 Ų13565%0.64768%0.68SS**Hα-helixtrans-67.9-24.5-177.1-69.120.9000113.8N606 S612N606-N610 WeakPolarHBondContact O-CB 3.32Å; N606-N610 PolarHBondContact O-N 2.58Å; N606-N610 PolarHBondContact O-OD1 3.19Å; N610-S612 VanDerWaalsContact C-N 3.31Å
611H41.3Very low36.4Very low160 Ų160131.8 Ų131.874%0.74168%0.678SS**THydrogen-bonded Turntrans-80.9-5.7173.8-93.9-70.9000114.3K607 I609K607-H611 PolarHBondContact O-CD2 3.08Å; K607-H611 PolarHBondContact O-N 2.72Å; I609-H611 VanDerWaalsContact C-N 3.3Å; I609-H611 PolarHBondContact O-N 3.44Å
612S36.4Very low35.5Very low105 Ų105134 Ų13473%0.73469%0.692SS**THydrogen-bonded Turntrans-92-0.2175.7-167.30000113.6I609 N610I609-S612 PolarHBondContact O-N 2.75Å; I609-S612 VanDerWaalsContact O-N 3.08Å; N610-S612 VanDerWaalsContact C-N 3.31Å
613Y28.3Very low34.6Very low197 Ų197136.1 Ų136.177%0.77370%0.702SS**  trans-114.892.1-179-154.3-89.1000109.7P615Y613-P615 HydrophobicContact CD1-CG 4.38Å
614N28.7Very low33.9Very low126 Ų126137 Ų13767%0.67471%0.707SS**  trans-108.7105.2179.6-171.1-1.4000109.5S616N614-S616 PolarHBondContact O-N 2.91Å; N614-S616 PolarHBondContact OD1-OG 2.87Å
615P32.1Very low33Very low101 Ų101137.4 Ų137.466%0.65671%0.711SS**  trans-711.5-169.9-20.634.2000116.1Y613 K617Y613-P615 HydrophobicContact CD1-CG 4.38Å; P615-K617 VanDerWaalsContact C-N 3.32Å; P615-K617 PolarHBondContact O-N 2.87Å; P615-K617 VanDerWaalsContact O-N 3.1Å
616S29.3Very low32.3Very low84 Ų84137.7 Ų137.759%0.58771%0.712SS**  trans-8629.1-160.7710000116.1N614N614-S616 PolarHBondContact O-N 2.91Å; N614-S616 PolarHBondContact OD1-OG 2.87Å
617K31.8Very low31.8Very low201 Ų201141.7 Ų141.787%0.87473%0.726SS**SBendtrans-147.356.8-179.2-71.3-158.8174.4-168.70114.6P615P615-K617 VanDerWaalsContact C-N 3.32Å; P615-K617 PolarHBondContact O-N 2.87Å; P615-K617 VanDerWaalsContact O-N 3.1Å
618S30Very low31.3Very low111 Ų111139.1 Ų139.178%0.77673%0.727SS**  trans-154.948.716762.80000113.5
619E27.3Very low30.7Very low196 Ų196140.1 Ų140.192%0.91673%0.733SS**  trans-108108.1167.6-72-173.613100110.2
620L28.1Very low30.2Very low162 Ų162142.1 Ų142.185%0.84874%0.743SS**  trans-163.8130.9151.5-149.271.8000109.9
621S24.9Very low30Very low93 Ų93143.8 Ų143.865%0.6575%0.751SS**  trans44.4112.3166.357.90000117.1
622F29Very low29.5Very low206 Ų206141.3 Ų141.390%0.90475%0.749SS**  -151.2156.569.3-111.5-95.3000112.9
623T27.2Very low29.2Very low108 Ų108144.6 Ų144.666%0.66375%0.752SS**  trans-114150.3-169.750.60000113.4
624N27.8Very low29.4Very low138 Ų138142.2 Ų142.274%0.73875%0.753SS**  trans69.8145.6170.8-52-41.3000114.8
625Q27.7Very low29.3Very low158 Ų158143 Ų14374%0.73876%0.757SS**  cis-160-175-14.3-115.9-176.571.700106.9
626H31.9Very low29.1Very low142 Ų142145.3 Ų145.366%0.65776%0.764SS**  cis-142.2-14311.7-176.9-128.5000110
627K27Very low29.2Very low170 Ų170147.9 Ų147.974%0.73977%0.771SS**  trans-96.1173.5172.2-52.4166.8-177.8163.20109.2
628S30Very low29.1Very low101 Ų101149.8 Ų149.871%0.70677%0.774SS**  cis-157.8147.617.350.20000114.1
629N26.8Very low29Very low148 Ų148155.9 Ų155.979%0.79178%0.781SS**  trans29.8129.2142.3-53.5-2.9000121.3
630I33.1Very low29Very low156 Ų156157.6 Ų157.680%0.878%0.78SS**  -167.3124.2111.4-99.6158.1000111.7
631I31.8Very low29Very low157 Ų157158.1 Ų158.181%0.80578%0.78SS**  trans59.3137.6156.4-62.9174.9000119.6
632P30.4Very low29.3Very low107 Ų107160.4 Ų160.470%0.69579%0.794SS**  trans-111.1165.2-169.141.6-34.1000115.6
633H30.6Very low29.3Very low175 Ų175159.5 Ų159.581%0.8179%0.79SS**  trans-154.9133.6151.7-122.6-75.1000116.3
634N32.2Very low29.3Very low146 Ų146166.2 Ų166.278%0.78180%0.803SS**  trans41.2107.1161-78.3-21.4000122.6
635N27Very low29.4Very low144 Ų144171.5 Ų171.577%0.7781%0.813SS**  trans-69170.1152.9-74.9-57.2000113.7
636N28.2Very low29.4Very low149 Ų149175.2 Ų175.280%0.79782%0.82SS**  trans57.888.2146.2-69.7-29.3000120
637L31.1Very low29.2Very low138 Ų138173.8 Ų173.872%0.72383%0.826SS**  trans-150.6-14.4154.6-119.3150.1000117.4Y639L637-Y639 VanDerWaalsContact C-N 3.27Å; L637-Y639 PolarHBondContact O-N 3.06Å
638Y28.3Very low29.2Very low240 Ų240171.7 Ų171.794%0.94183%0.832SS**THydrogen-bonded Turntrans-768.6-165.4-122.9-86.1000118
639Y28.7Very low29Very low239 Ų239170.2 Ų170.294%0.93783%0.833SS**THydrogen-bonded Turntrans-119.510.8-175.2-117.1-80.1000115.6L637L637-Y639 VanDerWaalsContact C-N 3.27Å; L637-Y639 PolarHBondContact O-N 3.06Å
640R26.5Very low29.1Very low233 Ų233169.7 Ų169.788%0.87983%0.83SS**SBendtrans-126.48.1-167.5-123177.5-173.5-177.72.1118.8
641M28.3Very low28.8Very low173 Ų173170.2 Ų170.285%0.85283%0.826SS**  trans-132.188.3177.9-67.5-157.9-17400115
642C31Very low28.5Very low141 Ų141171.9 Ų171.995%0.95382%0.824SS**SBendtrans-159.636.1159.9-120.50000113.2
643K29.2Very low28.6Very low187 Ų187172.5 Ų172.581%0.81382%0.821SS**SBendtrans-139.339.4-171.1-158.1-168.4174.9-172.70114.1
644R27.3Very low28.5Very low249 Ų249170.3 Ų170.394%0.9482%0.823SS**  trans-158.4166.8170.7-110.6164.8-178.1170.8-1.1110.8
645R29.8Very low28.2Very low249 Ų249168.8 Ų168.894%0.9482%0.819SS**  trans68100.7-178.2-68.8-175.6171.5141.60.4117
646R27.6Very low28.1Very low236 Ų236169.2 Ų169.289%0.89181%0.814SS**  trans-67.6172.3140.4-84.5170.3150.3151.6-14.3109.6
647S27.6Very low28.1Very low112 Ų112173.9 Ų173.978%0.78382%0.82SS**  trans88.7147.3158.3-51.70000117.8
648S28.5Very low27.8Very low125 Ų125174 Ų17487%0.87482%0.821SS**  trans74.7146.7172.1-52.30000118.2
649G26.2Very low27.9Very low70 Ų70170.3 Ų170.372%0.72282%0.816SS**  trans-84.6-164.4168.800000112.3
650L28.1Very low27.8Very low138 Ų138162.1 Ų162.172%0.72379%0.794SS**  cis-138.3-144.313.8-145.377.3000111.1E779L650-E779 WeakPolarHBondContact CD2-OE1 3.45Å
651F25.9Very low28Very low166 Ų166159.3 Ų159.373%0.72879%0.794SS**  trans-63.1170.6171.9-69.2-94.3000112
652Y26.1Very low27.9Very low193 Ų193157.1 Ų157.176%0.75779%0.786SS**  cis-164.1155.635.7-157.8-90.2000112.7
653N31.6Very low27.7Very low119 Ų119156.8 Ų156.864%0.63678%0.775SS**  trans56.2151.3171.7-93.7-14.3000120
654P30.3Very low27.6Very low130 Ų130154.6 Ų154.684%0.84478%0.777SS**  -142.3136.690.436-19.4000116
655T24.8Very low27.5Very low114 Ų114150.4 Ų150.470%0.69977%0.773SS**  trans-96149.9161.2-45.80000109.4
656K26Very low27.5Very low152 Ų152146.2 Ų146.266%0.66177%0.769SS**  trans22.3108.8172.7-74.8-157.1179.3-154.80118E265E265-K656 IonicContact OE1-NZ 3.6Å; E265-K656 PolarHBondContact OE1-NZ 3.48Å; E265-K656 IonicContact OE2-NZ 3.63Å; E265-K656 PolarHBondContact OE2-NZ 3.38Å
657R26.8Very low27.3Very low247 Ų247139.4 Ų139.493%0.93276%0.758SS**  -167.7125.5122.7-106.2166.1-174.7-1781.6110.9
658L25.6Very low27.3Very low141 Ų141139.5 Ų139.574%0.73876%0.758SS**  trans-91.1147.7161.8-101.775.6000108.3T268T268-L658 HydrophobicContact CG2-CD2 3.91Å
659I30.4Very low27.2Very low163 Ų163140.8 Ų140.884%0.83675%0.75SS**  trans-123.8133.8153.2-66-179.4000106.6
660S26.1Very low27.3Very low67 Ų67142 Ų14247%0.46975%0.753SS.*  trans-85.6127.6-17350.40000112.3R264R264-S660 PolarHBondContact NH1-OG 3.44Å
661I30.9Very low27.3Very low174 Ų174140.3 Ų140.389%0.89275%0.749SS**  trans-129.6138.9152.6-61.1-177.6000106.8
662D26.5Very low27.3Very low127 Ų127136 Ų13668%0.67974%0.739SS**  trans-103.6164.9-153.8-123.9-37.5000115.3
663N25.7Very low27.3Very low133 Ų133129.3 Ų129.371%0.71172%0.723SS**  trans42.1106.7154-62.4-49.6000120.7
664T27.8Very low27.2Very low142 Ų142127.9 Ų127.987%0.87172%0.721SS**  -163.9156127100000112.5L666T664-L666 PolarHBondContact O-N 3.39Å; T664-L666 VanDerWaalsContact O-N 3.12Å
665D25.6Very low27.1Very low160 Ų160127.2 Ų127.286%0.85671%0.714SS**  trans-65.8101-167.6-70.8-75.9000116
666L28.4Very low27.2Very low162 Ų162128.4 Ų128.485%0.84872%0.716SS**  trans-136.666.5172.2-143.575.9000113.6T664T664-L666 PolarHBondContact O-N 3.39Å; T664-L666 VanDerWaalsContact O-N 3.12Å
667S24.7Very low27.3Very low93 Ų93128.2 Ų128.265%0.6572%0.722SS**  trans-144.429179.7680000118
668S27.6Very low27.2Very low113 Ų113127.4 Ų127.479%0.7972%0.72SS**SBendtrans-118.7-17.6172.359.40000115.2A670S668-A670 PolarHBondContact O-N 3.44Å
669E26.3Very low27.3Very low152 Ų152127.1 Ų127.171%0.7173%0.725SS**  trans-99.785.8-170.3-64.7-146.3102.900114.5
670A28.1Very low27.1Very low95 Ų95127.5 Ų127.579%0.78573%0.728SS**SBendtrans-13915.7164.400000113.4S668S668-A670 PolarHBondContact O-N 3.44Å
671V27Very low27.2Very low104 Ų104132.3 Ų132.363%0.6375%0.748SS**SBendtrans-13321.2174.5-158.20000111R496R496-V671 PolarHBondContact NE-O 2.93Å; R496-V671 PolarHBondContact NH2-O 2.9Å; R496-V671 VanDerWaalsContact NH2-O 3.08Å
672S26.5Very low27.2Very low76 Ų76133.6 Ų133.653%0.53175%0.747SS.*PPolyproline II helixtrans-73.1122.5169.130.90000109.2
673A26.9Very low27.2Very low51 Ų51137.3 Ų137.342%0.42175%0.752SS.*PPolyproline II helixtrans-88.9146.517100000107.9V675A673-V675 PolarHBondContact O-N 3.36Å
674P29.1Very low27.4Very low90 Ų90140.9 Ų140.958%0.58476%0.761SS**PPolyproline II helixtrans-60.5116.3163.526.7-32.3000108.3
675V28.3Very low27.4Very low116 Ų116139.5 Ų139.570%0.70375%0.748SS**PPolyproline II helixtrans-83.3142.2165.6171.70000106.7A673A673-V675 PolarHBondContact O-N 3.36Å
676D27.2Very low27.6Very low139 Ų139142 Ų14274%0.74375%0.751SS**  trans62.9162.2176.7-51.1-25.8000116.4
677L28Very low27.6Very low147 Ų147140.7 Ų140.777%0.7775%0.745SS**  cis-144.783.9-1.4-166.679.2000110.1
678Y25Very low27.7Very low230 Ų230143 Ų14390%0.90275%0.749SS**SBendtrans-158.571.8178.9-117.7-76.7000114.2
679T26.8Very low27.8Very low136 Ų136147.5 Ų147.583%0.83476%0.755SS**SBendtrans175.787.2153.7190000109.8
680N27.4Very low27.9Very low170 Ų170150.8 Ų150.891%0.90976%0.762SS**  trans-179.660.8151.9-95.7-15.6000111
681L28.3Very low28.1Very low169 Ų169151.2 Ų151.289%0.88576%0.757SS**  trans-122.959.2164.1-110.6167000108.4
682K30.5Very low28.1Very low200 Ų200153.7 Ų153.787%0.8777%0.766SS**  trans-117.7110.3168.1-149.6175.5-170.1-178.30107.5
683W26.9Very low28.1Very low206 Ų206155.2 Ų155.278%0.7878%0.776SS**  trans-54138.6-178.2-80.432.7000111.7
684K28.5Very low28.2Very low207 Ų207158.8 Ų158.890%0.979%0.793SS**  trans-149.292.3143.5-149.2169.6-171.3178.30110.6K686K684-K686 PolarHBondContact O-N 3.09Å
685N28.1Very low28.2Very low114 Ų114160.3 Ų160.361%0.6180%0.801SS**  trans-62127.8172-64.3-15.1000109.5
686K29.6Very low28Very low211 Ų211161 Ų16192%0.91780%0.8SS**  trans-151.8107.4144.6-122.5-178.7-179.4-172.10109.7K684K684-K686 PolarHBondContact O-N 3.09Å
687L28.2Very low28.1Very low136 Ų136162.6 Ų162.671%0.71280%0.802SS**  trans-70.6166.3170.1-85.877.5000110.7
688N28.3Very low28.3Very low140 Ų140163.2 Ų163.275%0.74980%0.801SS**  trans58102.2150.4-59.3-9.3000118.3
689K29.3Very low28.3Very low208 Ų208157.1 Ų157.190%0.90479%0.792SS**  -178.5143.893.3-96.2178.4178.6-177.40113.5
690Y27.4Very low28.7Very low222 Ų222155.2 Ų155.287%0.87178%0.782SS**  trans-80.3-179.6160.6-83.1-78.2000110.4
691P33.2Very low28.9Very low104 Ų104155.2 Ų155.268%0.67578%0.777SS**  cis-137.9-168.1-15.725.9-1000114.7
692L26.3Very low28.8Very low156 Ų156152.8 Ų152.882%0.81777%0.772SS**  trans95153.1132.2-12871.8000122.2
693S27.1Very low28.8Very low107 Ų107149.9 Ų149.975%0.74877%0.765SS**  trans65.2145.7176.371.40000116.9
694T28.3Very low28.9Very low126 Ų126146.7 Ų146.777%0.77376%0.763SS**  cis-163165.4-24.826.80000106.5
695T29.3Very low29Very low123 Ų123146.2 Ų146.276%0.75576%0.761SS**  cis-144.8169.39.7-17.90000112.8
696I24.4Very low29.1Very low130 Ų130147.2 Ų147.267%0.66777%0.765SS**  trans-51.8142.5169.4-65.8153.8000115.9
697H30Very low28.9Very low173 Ų173144.3 Ų144.380%0.80176%0.759SS**  -164.4108.9124.1-117.4-84.6000114.7
698H31.1Very low29Very low159 Ų159143.1 Ų143.174%0.73676%0.762SS**  trans44.6143.1149.7-70.7-95.7000124.7
699S26.2Very low29.1Very low102 Ų102143.5 Ų143.571%0.71376%0.763SS**  trans-102.5-156.7-172.955.50000110.3
700P34.8Very low28.9Very low97 Ų97140 Ų14063%0.6375%0.754SS**  cis-144.6-165.90.243.4-22.8000117.5
701Q30.3Very low28.9Very low170 Ų170137.9 Ų137.979%0.79475%0.752SS**  trans94.1150.9144.8-83.4168.913.700123.1
702C27.2Very low28.8Very low117 Ų117137.9 Ų137.979%0.79175%0.754SS**  trans79.7126.9173.5-620000119.9
703I30.5Very low28.8Very low139 Ų139137.5 Ų137.571%0.71375%0.749SS**  -169140.4-50.7-101.4163.5000109.3
704N28.5Very low28.9Very low140 Ų140140.2 Ų140.275%0.74976%0.755SS**  trans28.7124.7158.3-55.9-6.3000123.9
705K30.5Very low28.7Very low196 Ų196140.6 Ų140.685%0.85275%0.751SS**  -156.3103123.2-113.3175178-179.30108.3
706I30.1Very low28.7Very low136 Ų136142 Ų14270%0.69775%0.752SS**  61.8102.599.3-62.4167.4000110.7
707N26.2Very low28.7Very low150 Ų150141.5 Ų141.580%0.80275%0.749SS**  76.2156.161.3-77.37.4000114.9
708S30.3Very low28.8Very low110 Ų110139.9 Ų139.977%0.76975%0.747SS**  trans75142.8-171.1790000114.2
709I30.6Very low28.4Very low149 Ų149141.5 Ų141.576%0.76475%0.747SS**  cis-146.5129.6-11.5-97.3147.7000104.5
710N25.1Very low28.7Very low135 Ų135142.6 Ų142.672%0.72275%0.745SS**  70.1134.270.6-11826.1000116.4
711Q27.6Very low28.4Very low177 Ų177146 Ų14683%0.82775%0.75SS**  trans65158.9169.9-66153-40.500116.4
712S30.1Very low28.3Very low103 Ų103143.6 Ų143.672%0.7274%0.742SS**  cis-136.7174.93.563.90000112.9
713E26.3Very low28.2Very low149 Ų149143.5 Ų143.570%0.69673%0.733SS**  trans-70.6164.7178-51.695.4139.900114.3
714N29.2Very low28.1Very low164 Ų164146.6 Ų146.688%0.87774%0.737SS**  -164.4158.8110.9-104.3-60.9000113.8
715I24.7Very low27.8Very low134 Ų134144.7 Ų144.769%0.68773%0.734SS**  trans-124.8150.9-173.1-66.3168.2000109.3I717I715-I717 HydrophobicContact CG2-CD1 4.43Å
716I28.1Very low27.5Very low152 Ų152140.6 Ų140.678%0.77973%0.73SS**  trans167.7110.2152.1-90.3152.1000106.2
717I26.2Very low27.2Very low120 Ų120139.2 Ų139.262%0.61573%0.732SS**  66.5113.875.9-60.6163.2000109.4I715 Y719I715-I717 HydrophobicContact CG2-CD1 4.43Å; I717-Y719 HydrophobicContact CG2-CD2 4.45Å
718D30.2Very low27.2Very low139 Ų139137.1 Ų137.174%0.74373%0.73SS**  -142.6143.157.6-95.9-34.6000112.2
719Y24.7Very low27.2Very low192 Ų192137.8 Ų137.875%0.75373%0.728SS**  87.2143.768.1-100.3-84.1000117.1I717I717-Y719 HydrophobicContact CG2-CD2 4.45Å
720N31.4Very low27.1Very low125 Ų125136.2 Ų136.267%0.66873%0.728SS**  trans71.9138168.5-62.9-42.1000119.5
721K27.7Very low26.9Very low169 Ų169136.1 Ų136.174%0.73573%0.726SS**  cis-162.8142-26.1-134.8174.8-176.1165.50110.9
722I29.5Very low26.8Very low120 Ų120134.8 Ų134.862%0.61572%0.723SS**  trans42.6122.2144.2-69.8171.5000120.3
723N25.8Very low26.5Very low114 Ų114137.3 Ų137.361%0.6172%0.723SS**  32.3154.9123.8-34.8-15.9000120.2
724Y27.4Very low26.6Very low205 Ų205137.6 Ų137.680%0.80473%0.73SS**  cis-149.5179.333.2-103.4-65.4000115
725C22.7Very low26.4Very low100 Ų100134.7 Ų134.768%0.67672%0.718SS**  trans-71.4168.5-173.6-52.50000116.9
726S23.5Very low26.6Very low110 Ų110132.7 Ų132.777%0.76972%0.716SS**  trans70.1131.2134.559.40000123
727S23.9Very low26.8Very low107 Ų107131.8 Ų131.875%0.74871%0.712SS**  trans90.5152.1139.3-157.90000120.6
728S25.6Very low26.8Very low106 Ų106134.6 Ų134.674%0.74172%0.717SS**  trans78.5151.6153-23.20000119.8
729V30.2Very low26.7Very low123 Ų123136.4 Ų136.475%0.74573%0.725SS**  trans-103.9138.3175.8171.10000108.9I731V729-I731 HydrophobicContact CG1-CD1 4.2Å; V729-I731 HydrophobicContact CG1-CG1 3.99Å
730P28.6Very low26.7Very low116 Ų116133.1 Ų133.175%0.75372%0.719SS**  -134.8159.4124.538.7-28.2000110.5
731I22.4Very low26.6Very low134 Ų134134.7 Ų134.769%0.68773%0.726SS**  cis81.1122.621-61-179.8000115.1V729V729-I731 HydrophobicContact CG1-CD1 4.2Å; V729-I731 HydrophobicContact CG1-CG1 3.99Å
732I23.8Very low26.6Very low148 Ų148131.9 Ų131.976%0.75973%0.728SS**  trans76.4127.6169.2-73.3164.5000118.1
733H23.6Very low26.6Very low157 Ų157133.4 Ų133.473%0.72774%0.737SS**  trans27.4133.5152.9-72.4-115.7000121.7
734D30.1Very low27Very low155 Ų155132.1 Ų132.183%0.82974%0.735SS**  -154.5178.496-132.4-32.7000114.2
735T25.3Very low27Very low102 Ų102130.8 Ų130.863%0.62673%0.734SS**  trans-121.5169.3-153.656.70000117.5
736S27.3Very low27.3Very low93 Ų93132.6 Ų132.665%0.6574%0.736SS**  trans76.4121.5159.773.10000120.4
737N32.2Very low27.3Very low132 Ų132133.5 Ų133.571%0.70673%0.732SS**  -178.5116.2100.5-89.5-41.6000114.6
738Y28Very low27.4Very low180 Ų180134.6 Ų134.671%0.70673%0.728SS**  trans32.9124.9150.9-57.7-75.9000124.2I740Y738-I740 HydrophobicContact CD1-CD1 3.74Å; Y738-I740 HydrophobicContact CD1-CG1 3.86Å; Y738-I740 HydrophobicContact CE1-CD1 4.01Å; Y738-I740 HydrophobicContact CE1-CG1 4.47Å
739L26.5Very low27.4Very low177 Ų177135.6 Ų135.693%0.92773%0.725SS**  -140.5162.8100.8-143.482.2000109.9
740I24.7Very low27.1Very low122 Ų122135.7 Ų135.763%0.62672%0.721SS**  trans-120.3169.9-163.6-60.7174.6000111.4Y738Y738-I740 HydrophobicContact CD1-CD1 3.74Å; Y738-I740 HydrophobicContact CD1-CG1 3.86Å; Y738-I740 HydrophobicContact CE1-CD1 4.01Å; Y738-I740 HydrophobicContact CE1-CG1 4.47Å
741I29.5Very low26.9Very low158 Ų158136.4 Ų136.481%0.8172%0.719SS**  trans110.5120.5164.6-59.2161000112.1
742S28.5Very low27.1Very low110 Ų110136.7 Ų136.777%0.76972%0.721SS**  cis-161149.3-1747.70000109.9
743N28.7Very low27.1Very low152 Ų152136.9 Ų136.981%0.81372%0.724SS**  trans-93.6179.8173-140.97.3000109.7
744P34Very low27.3Very low87 Ų87137.1 Ų137.157%0.56573%0.73SS**  -157.3173.654.946.2-25.3000120.1
745F28.7Very low27Very low177 Ų177136.9 Ų136.978%0.77673%0.727SS**  trans64155.9151.4-57.7-37.5000119.9
746I27.7Very low26.8Very low139 Ų139140.8 Ų140.871%0.71373%0.732SS**  cis-152.1130.3-16.9-109.1160.3000104.4
747N24.5Very low26.7Very low129 Ų129145.8 Ų145.869%0.6974%0.742SS**  9412954.2-15733.2000114.3
748I25Very low26.2Very low130 Ų130145.2 Ų145.267%0.66774%0.743SS**  trans83.3120.1156.8-81.8168.1000122.4
749N25Very low26.1Very low126 Ų126144 Ų14467%0.67475%0.747SS**  trans71.6126.6141.6-70.710.9000126.3
750N25.4Very low26Very low126 Ų126143.2 Ų143.267%0.67474%0.739SS**  81.9125.9128.9-67.65.4000122.8
751N25Very low26Very low131 Ų131143.5 Ų143.570%0.70175%0.746SS**  trans82133.3140.3-63.9-0000121.2
752N26.1Very low25.6Very low139 Ų139141 Ų14174%0.74374%0.743SS**  trans75.1113.2148.6-57.5-9.5000120.6
753N24.3Very low25.3Very low152 Ų152142 Ų14281%0.81375%0.748SS**  trans24.2105.1132.6-56.2-0.7000119.2
754L26.7Very low25.1Very low162 Ų162142.7 Ų142.785%0.84875%0.747SS**  trans-160.1104.5142.2-130.967.7000106.6
755I23.2Very low24.7Very low151 Ų151146.8 Ų146.877%0.77476%0.759SS**  55.5122.683.6-58.8-179.9000113.1
756Y21.5Very low24.4Very low184 Ų184142.9 Ų142.972%0.72275%0.753SS**  trans-26.1135175.4-77.9-105.6000117
757K25.2Very low24.3Very low197 Ų197146.2 Ų146.286%0.85776%0.763SS**  trans-148.3125.5146.5-150.6166.8-172174.80112.8
758T22.6Very low24.3Very low121 Ų121144 Ų14474%0.74276%0.758SS**  trans-71.4136.2171.2-49.70000110
759I25.6Very low24.2Very low153 Ų153144.5 Ų144.579%0.78576%0.762SS**  trans-133.8103.1164.2-60.8-177.7000108.1
760E24.6Very low24.2Very low162 Ų162146.6 Ų146.676%0.75777%0.772SS**  trans-80.8177.6154.2-69.5-170.9108.800110.2
761T23.9Very low24.2Very low127 Ų127146.4 Ų146.478%0.77977%0.77SS**  trans103.4125.4160.971.40000118.7
762S22.5Very low24.3Very low106 Ų106149 Ų14974%0.74178%0.775SS**  trans46120.1144.760.10000121.5
763C21.8Very low24.5Very low131 Ų131147.4 Ų147.489%0.88577%0.773SS**  -144.6153.3105.8-1500000110.9
764Q24.7Very low24.6Very low166 Ų166146.4 Ų146.478%0.77677%0.772SS**  trans-117.8-175.9-179-66.2-179.8-76.700111.1
765Q24.4Very low24.5Very low174 Ų174145.1 Ų145.181%0.81377%0.766SS**  trans90.4140152.3-67.8171-1000120
766S22.8Very low24.4Very low95 Ų95142.9 Ų142.966%0.66476%0.763SS**  trans45.4111158.654.90000119.6
767F26.7Very low24.5Very low209 Ų209142.1 Ų142.192%0.91777%0.766SS**  -145.3127.385.2-123.7-86.4000111.6
768S23Very low24.4Very low83 Ų83138.9 Ų138.958%0.5876%0.763SS**  trans-106.8164.7177.550.60000110.9
769N23.3Very low24.5Very low140 Ų140139.8 Ų139.875%0.74976%0.758SS**  trans65.298.8164.9-54-25.3000117.7
770L25Very low24.5Very low169 Ų169138.6 Ų138.689%0.88575%0.752SS**  -143142119.2-144.769.7000113.6
771L25.1Very low24.5Very low123 Ų123140.7 Ų140.764%0.64476%0.759SS**  trans-56.2162.2-177.5-73.961.5000113.7
772K26.4Very low24.7Very low184 Ų184142.1 Ų142.180%0.875%0.751SS**  cis-157.91720.5-117.8170.6-175178.30109.7
773P31.8Very low25Very low107 Ų107142.1 Ų142.170%0.69574%0.743SS**  trans-103.5170.6-166.440.7-36.8000115.7
774T25.1Very low25.6Very low130 Ų130143.5 Ų143.580%0.79874%0.74SS**  trans167.6147.4140.829.60000108.4
775N24.7Very low26Very low136 Ų136142.2 Ų142.273%0.72774%0.739SS**  cis-155.8155.6-25.5-112.51.2000107.7
776C22.2Very low26.4Very low104 Ų104137.6 Ų137.670%0.70372%0.72SS**  trans31.5135.6157.7-63.90000121.2
777Q23.6Very low26.8Very low168 Ų168138 Ų13879%0.78572%0.72SS**  cis-163.7147.722-123.3155.5-21.500112.2
778T23.7Very low27.1Very low129 Ų129131 Ų13179%0.79170%0.701SS**  trans49.289.2156.956.80000120.1
779E23.1Very low27.4Very low139 Ų139129 Ų12965%0.6569%0.686SS**  trans-106.4129.7138.5-81.9-162139.900109.1L650 K781L650-E779 WeakPolarHBondContact CD2-OE1 3.45Å; E779-K781 PolarHBondContact O-N 3.31Å
780I25.5Very low27.9Very low129 Ų129127.3 Ų127.366%0.66268%0.676SS**  trans-82.3103.5174.6-61.2175.1000108.2Y782I780-Y782 HydrophobicContact CB-CE2 4.37Å; I780-Y782 HydrophobicContact CG2-CD2 4.15Å; I780-Y782 HydrophobicContact CG2-CE2 3.92Å; I780-Y782 PolarHBondContact O-N 3.38Å
781K24.6Very low28.2Very low205 Ų205124.4 Ų124.489%0.89165%0.654SS**  trans-64.5111.9160.7-85.7-175.2174-179.80108.4E779 D783E779-K781 PolarHBondContact O-N 3.31Å; K781-D783 PolarHBondContact O-N 3.4Å
782Y27.9Very low28.6Very low158 Ų158126.5 Ų126.562%0.6266%0.658SS**  trans-76.2109.3162.3-74.4-91.3000107.9I780I780-Y782 HydrophobicContact CB-CE2 4.37Å; I780-Y782 HydrophobicContact CG2-CD2 4.15Å; I780-Y782 HydrophobicContact CG2-CE2 3.92Å; I780-Y782 PolarHBondContact O-N 3.38Å
783D28.8Very low29Very low105 Ų105122 Ų12256%0.56165%0.646SS**  trans-72.1127.8163.7-157.9-39.9000108.1K781 N785K781-D783 PolarHBondContact O-N 3.4Å; D783-N785 PolarHBondContact O-N 3.21Å; D783-N785 WeakPolarHBondContact OD1-CB 3.4Å; D783-N785 PolarHBondContact OD1-N 2.83Å; D783-N785 VanDerWaalsContact OD1-N 3.12Å; D783-N785 PolarHBondContact OD1-ND2 2.76Å
784L35.2Very low29Very low160 Ų160120.9 Ų120.984%0.83863%0.633SS**THydrogen-bonded Turntrans-82.6-0.1-177.9-87.389.5000113
785N32.1Very low29.2Very low139 Ų139124.1 Ų124.174%0.74363%0.631SS**THydrogen-bonded Turntrans-92.3-4.2-178.4-59.1-44.2000114.2D783 P787D783-N785 PolarHBondContact O-N 3.21Å; D783-N785 WeakPolarHBondContact OD1-CB 3.4Å; D783-N785 PolarHBondContact OD1-N 2.83Å; D783-N785 VanDerWaalsContact OD1-N 3.12Å; D783-N785 PolarHBondContact OD1-ND2 2.76Å; N785-P787 WeakPolarHBondContact O-CD 3.46Å
786D33.4Very low29.6Very low78 Ų78123.2 Ų123.242%0.41763%0.63SS.*  trans-92.4109.9178.8174.122.2000112.6A788 C789D786-A788 PolarHBondContact O-N 3.15Å; D786-A788 VanDerWaalsContact OD1-CB 3.25Å; D786-A788 WeakPolarHBondContact OD1-CB 3.31Å; D786-A788 PolarHBondContact OD1-N 3.39Å; D786-C789 HydrophobicContact CB-CB 4.46Å; D786-C789 PolarHBondContact O-N 3.18Å; D786-C789 PolarHBondContact OD2-N 3.22Å
787P31Very low30Very low102 Ų102127.3 Ų127.366%0.66263%0.632SS**Hα-helixtrans-64.9-23.4177.426.8-34000113.7N785 C789 I790 Y791N785-P787 WeakPolarHBondContact O-CD 3.46Å; P787-C789 VanDerWaalsContact C-N 3.27Å; P787-C789 PolarHBondContact O-N 3.27Å; P787-I790 PolarHBondContact O-N 3.42Å; P787-Y791 PolarHBondContact O-N 3.45Å
788A33.5Very low30.4Very low62 Ų62127.1 Ų127.151%0.51263%0.626SS.*Hα-helixtrans-67.7-28.5178.300000112.4D786 Y791 K792D786-A788 PolarHBondContact O-N 3.15Å; D786-A788 VanDerWaalsContact OD1-CB 3.25Å; D786-A788 WeakPolarHBondContact OD1-CB 3.31Å; D786-A788 PolarHBondContact OD1-N 3.39Å; A788-Y791 WeakPolarHBondContact O-CB 3.36Å; A788-Y791 PolarHBondContact O-N 3.05Å; A788-K792 PolarHBondContact O-N 2.97Å
789C30.1Very low30.7Very low41 Ų41125.7 Ų125.728%0.27762%0.621SS.*Hα-helixtrans-70.6-34.7180-150.30000112.6D786 P787 T793D786-C789 HydrophobicContact CB-CB 4.46Å; D786-C789 PolarHBondContact O-N 3.18Å; D786-C789 PolarHBondContact OD2-N 3.22Å; P787-C789 VanDerWaalsContact C-N 3.27Å; P787-C789 PolarHBondContact O-N 3.27Å; C789-T793 PolarHBondContact O-N 3.12Å; C789-T793 PolarHBondContact O-OG1 2.97Å; C789-T793 VanDerWaalsContact O-OG1 3.11Å
790I33.5Very low31.1Very low106 Ų106129.9 Ų129.954%0.54463%0.632SS.*Hα-helixtrans-62.4-47.6172.5-61.8174.6000109.7P787 K792 T793 I794P787-I790 PolarHBondContact O-N 3.42Å; I790-K792 VanDerWaalsContact C-N 3.31Å; I790-K792 PolarHBondContact O-N 2.75Å; I790-T793 PolarHBondContact O-N 3.33Å; I790-T793 VanDerWaalsContact O-N 3.09Å; I790-I794 HydrophobicContact CG2-CD1 3.8Å; I790-I794 HydrophobicContact CG2-CG1 4.45Å; I790-I794 PolarHBondContact O-N 3.36Å
791Y30.9Very low31.4Very low108 Ų108128.5 Ų128.542%0.42463%0.626SS.*Hα-helixtrans-57.1-42.1-179.4-155.6-108.2000112.6P787 A788 T793 I794 R795 I808 T812P787-Y791 PolarHBondContact O-N 3.45Å; A788-Y791 WeakPolarHBondContact O-CB 3.36Å; A788-Y791 PolarHBondContact O-N 3.05Å; Y791-T793 VanDerWaalsContact C-N 3.3Å; Y791-T793 PolarHBondContact O-N 3.43Å; Y791-I794 PolarHBondContact O-N 2.91Å; Y791-R795 WeakPolarHBondContact O-CB 3.47Å; Y791-R795 PolarHBondContact O-N 3.31Å; Y791-R795 VanDerWaalsContact O-N 3.08Å; Y791-I808 HydrophobicContact CE2-CG2 4.43Å; Y791-I808 WeakPolarHBondContact OH-CG2 3.43Å; Y791-T812 WeakPolarHBondContact OH-CG2 3.38Å
792K34.4Very low32Very low167 Ų167123.3 Ų123.373%0.72662%0.616SS**Hα-helixtrans-67.3-28.1179.5-153.1169.2-171.5172.70113.3A788 I790 T796A788-K792 PolarHBondContact O-N 2.97Å; I790-K792 VanDerWaalsContact C-N 3.31Å; I790-K792 PolarHBondContact O-N 2.75Å; K792-T796 PolarHBondContact O-OG1 3.19Å
793T33.5Very low32.3Very low88 Ų88121.3 Ų121.354%0.5462%0.62SS.*Hα-helixtrans-81.4-35.8177.4-54.30000112.2C789 I790 Y791 T796C789-T793 PolarHBondContact O-N 3.12Å; C789-T793 PolarHBondContact O-OG1 2.97Å; C789-T793 VanDerWaalsContact O-OG1 3.11Å; I790-T793 PolarHBondContact O-N 3.33Å; I790-T793 VanDerWaalsContact O-N 3.09Å; Y791-T793 VanDerWaalsContact C-N 3.3Å; Y791-T793 PolarHBondContact O-N 3.43Å; T793-T796 PolarHBondContact O-OG1 2.96Å
794I32Very low32.5Very low84 Ų84121.3 Ų121.343%0.43162%0.618SS.*Hα-helixtrans-67.4-41174.7-66.7171.8000110.6I790 Y791 T796 Y797 Y798I790-I794 HydrophobicContact CG2-CD1 3.8Å; I790-I794 HydrophobicContact CG2-CG1 4.45Å; I790-I794 PolarHBondContact O-N 3.36Å; Y791-I794 PolarHBondContact O-N 2.91Å; I794-T796 PolarHBondContact O-N 3.41Å; I794-T796 VanDerWaalsContact O-N 3.12Å; I794-Y797 PolarHBondContact O-N 3.37Å; I794-Y798 HydrophobicContact CG2-CD2 4.02Å; I794-Y798 HydrophobicContact CG2-CE2 4.45Å; I794-Y798 PolarHBondContact O-N 3.33Å
795R29.1Very low32.5Very low199 Ų199121.3 Ų121.375%0.75161%0.611SS**THydrogen-bonded Turntrans-58.6-25.4-179-166.2172.1-1751661.8114.2Y791Y791-R795 WeakPolarHBondContact O-CB 3.47Å; Y791-R795 PolarHBondContact O-N 3.31Å; Y791-R795 VanDerWaalsContact O-N 3.08Å
796T34.1Very low32.7Very low116 Ų116121 Ų12171%0.71261%0.609SS**THydrogen-bonded Turntrans-87.6-13.617619.30000114.2K792 T793 I794K792-T796 PolarHBondContact O-OG1 3.19Å; T793-T796 PolarHBondContact O-OG1 2.96Å; I794-T796 PolarHBondContact O-N 3.41Å; I794-T796 VanDerWaalsContact O-N 3.12Å
797Y31Very low32.7Very low190 Ų190126 Ų12675%0.74562%0.623SS**THydrogen-bonded Turntrans-94.8-22.1-177.8-123.1-92.6000114.2I794I794-Y797 PolarHBondContact O-N 3.37Å
798Y31.4Very low33Very low165 Ų165124.3 Ų124.365%0.64761%0.607SS**  trans-117.733.6-170.8-72.1-79000114.5I794 Y800I794-Y798 HydrophobicContact CG2-CD2 4.02Å; I794-Y798 HydrophobicContact CG2-CE2 4.45Å; I794-Y798 PolarHBondContact O-N 3.33Å; Y798-Y800 PolarHBondContact O-N 3.02Å
799S29.1Very low33.1Very low98 Ų98128 Ų12869%0.68561%0.612SS**THydrogen-bonded Turntrans-74.119.9-175.8-168.90000115.7
800Y31.6Very low33.5Very low227 Ų227132.7 Ų132.789%0.8963%0.63SS**THydrogen-bonded Turntrans-143.342.5-169.2-96.8-81.6000114.4Y798Y798-Y800 PolarHBondContact O-N 3.02Å
801D32.9Very low33.6Very low100 Ų100132.9 Ų132.954%0.53563%0.631SS.*  trans-148.3145.1154.1-147.8-49.7000111.2V803D801-V803 PolarHBondContact OD1-N 3.18Å; D801-V803 VanDerWaalsContact OD1-N 3.16Å
802S36.1Very low33.9Very low97 Ų97130.8 Ų130.868%0.67863%0.63SS**SBendtrans-85-28.1177.747.70000112.5K805S802-K805 PolarHBondContact O-N 3.34Å
803V34.6Very low34Very low115 Ų115127.6 Ų127.670%0.69762%0.62SS**THydrogen-bonded Turntrans-69.4-38.1-175.9-1750000111.8D801 K805D801-V803 PolarHBondContact OD1-N 3.18Å; D801-V803 VanDerWaalsContact OD1-N 3.16Å; V803-K805 PolarHBondContact O-N 3.45Å
804M33.4Very low34Very low105 Ų105129.6 Ų129.652%0.51763%0.627SS.*Hα-helixtrans-62.5-21.6-179.9-102.8-83.4173.200114.3I808M804-I808 WeakPolarHBondContact O-CG1 3.41Å; M804-I808 PolarHBondContact O-N 3.35Å; M804-I808 HydrophobicContact SD-CD1 3.8Å; M804-I808 HydrophobicContact SD-CG1 4.17Å
805K34.2Very low34Very low160 Ų160132.8 Ų132.870%0.69665%0.645SS**Hα-helixtrans-68.3-40.6-176.1-77.3-174.8175.2179.40113.5S802 V803 F809S802-K805 PolarHBondContact O-N 3.34Å; V803-K805 PolarHBondContact O-N 3.45Å; K805-F809 WeakPolarHBondContact O-CB 3.24Å; K805-F809 PolarHBondContact O-N 3.48Å
806N37.2Very low34Very low132 Ų132129.2 Ų129.271%0.70665%0.646SS**Hα-helixtrans-70.6-38.7-179.9-8611.4000112F809 Q810N806-F809 PolarHBondContact O-N 3.01Å; N806-Q810 PolarHBondContact O-N 2.84Å
807W33.7Very low33.8Very low185 Ų185128.3 Ų128.370%0.70164%0.644SS**Hα-helixtrans-68.2-41.5-175.7-135.762.7000112.2F809 L811W807-F809 VanDerWaalsContact C-N 3.33Å; W807-F809 PolarHBondContact O-N 3.37Å; W807-L811 HydrophobicContact CE3-CD1 4.35Å
808I36.6Very low33.7Very low66 Ų66125.6 Ų125.634%0.33865%0.647SS.*Hα-helixtrans-68.1-32.7176.2-67.1174.6000111.6Y791 M804 Q810 L811 T812Y791-I808 HydrophobicContact CE2-CG2 4.43Å; Y791-I808 WeakPolarHBondContact OH-CG2 3.43Å; M804-I808 WeakPolarHBondContact O-CG1 3.41Å; M804-I808 PolarHBondContact O-N 3.35Å; M804-I808 HydrophobicContact SD-CD1 3.8Å; M804-I808 HydrophobicContact SD-CG1 4.17Å; I808-Q810 PolarHBondContact O-N 3.12Å; I808-L811 PolarHBondContact O-N 2.88Å; I808-T812 PolarHBondContact O-N 2.82Å; I808-T812 PolarHBondContact O-OG1 3.22Å
809F35.1Very low33.5Very low139 Ų139125.1 Ų125.161%0.6165%0.654SS**Hα-helixtrans-69.4-30.3-178.3-163.4-96000113.5K805 N806 W807 T812K805-F809 WeakPolarHBondContact O-CB 3.24Å; K805-F809 PolarHBondContact O-N 3.48Å; N806-F809 PolarHBondContact O-N 3.01Å; W807-F809 VanDerWaalsContact C-N 3.33Å; W807-F809 PolarHBondContact O-N 3.37Å; F809-T812 PolarHBondContact O-OG1 3.37Å
810Q39.9Very low33.5Very low140 Ų140126.7 Ų126.765%0.65466%0.655SS**Hα-helixtrans-72.5-40.9173.8-72.2-173.5-34.900112N806 I808 T812 N813N806-Q810 PolarHBondContact O-N 2.84Å; I808-Q810 PolarHBondContact O-N 3.12Å; Q810-T812 PolarHBondContact O-N 2.96Å; Q810-N813 PolarHBondContact O-N 3.5Å
811L35.2Very low33.6Very low110 Ų110122.9 Ų122.958%0.57665%0.65SS**Hα-helixtrans-63.8-26.1178.7-75.2164.4000113.5W807 I808W807-L811 HydrophobicContact CE3-CD1 4.35Å; I808-L811 PolarHBondContact O-N 2.88Å
812T36Very low33.3Very low63 Ų63125.5 Ų125.539%0.38766%0.664SS.*THydrogen-bonded Turntrans-77.7-15177.242.30000115.2Y791 I808 F809 Q810Y791-T812 WeakPolarHBondContact OH-CG2 3.38Å; I808-T812 PolarHBondContact O-N 2.82Å; I808-T812 PolarHBondContact O-OG1 3.22Å; F809-T812 PolarHBondContact O-OG1 3.37Å; Q810-T812 PolarHBondContact O-N 2.96Å
813N36.9Very low33.3Very low100 Ų100127.7 Ų127.754%0.53567%0.669SS.*THydrogen-bonded Turntrans-101.44.3-172.3-727.6000114.2Q810Q810-N813 PolarHBondContact O-N 3.5Å
814L33.8Very low33.3Very low131 Ų131128.2 Ų128.269%0.68667%0.667SS**SBendtrans-98.1-1.3-173-78.9163.3000115.3
815N32Very low33.2Very low151 Ų151129.4 Ų129.481%0.80768%0.676SS**SBendtrans-11920.4-172.7-79-15.6000114.6
816T29.2Very low33Very low123 Ų123127.8 Ų127.876%0.75568%0.675SS**SBendtrans-133.138-173.753.60000114.7
817S29.1Very low32.7Very low98 Ų98127.5 Ų127.569%0.68567%0.673SS**  trans-165.4133.1171.148.80000108.6
818T29.2Very low32.6Very low132 Ų132124.5 Ų124.581%0.8167%0.671SS**  cis-148136.84.3-44.10000109.8
819I26.7Very low32.3Very low155 Ų155128 Ų12880%0.79569%0.691SS**  trans-110.2109164.8-62.1174.5000107.6
820N30.7Very low32.1Very low132 Ų132126.5 Ų126.571%0.70670%0.697SS**  trans173149.8134.8-94.4-27.3000114.3
821N32.8Very low31.6Very low146 Ų146127.1 Ų127.178%0.78170%0.703SS**  trans58.595.1149.4-60.2-6.2000119.8
822N27.8Very low31.4Very low155 Ų155126.6 Ų126.683%0.82971%0.709SS**  trans-53.5140.4141-62.4-32000110.4
823N35.2Very low31Very low144 Ų144130.2 Ų130.277%0.7773%0.726SS**  trans-168.7124.7132.4-103.5-25.9000113.4
824N33.8Very low30.5Very low125 Ų125131.1 Ų131.167%0.66873%0.731SS**  trans54.7105143.2-60-17.2000121.4
825N31.4Very low30.2Very low130 Ų130131.2 Ų131.270%0.69573%0.732SS**  80.8124.6114.4-64.1-5.1000121.7
826N31.6Very low30Very low126 Ų126128.4 Ų128.467%0.67472%0.724SS**  trans85109131.6-66.84.3000120.7
827N30.4Very low29.9Very low126 Ų126130.7 Ų130.767%0.67473%0.726SS**  100.2123.4119.9-69.41.4000120.8
828N32.3Very low29.8Very low123 Ų123131.1 Ų131.166%0.65872%0.721SS**  trans85.193.3136.5-62-6.5000121.2
829N29Very low29.8Very low140 Ų140132.8 Ų132.875%0.74972%0.719SS**  73.6166.7115.2-62.1-15.4000121.1
830S30.7Very low29.8Very low107 Ų107131.8 Ų131.875%0.74872%0.716SS**  trans65.7109.3-179.219.90000115.1
831I30.1Very low29.8Very low152 Ų152135.4 Ų135.478%0.77972%0.72SS**  cis96.2126.435-65.4165.4000112.7
832S29.9Very low29.7Very low100 Ų100134.4 Ų134.470%0.69971%0.71SS**  trans69.8150.8160.274.40000117.9
833N27.8Very low29.8Very low138 Ų138134.7 Ų134.774%0.73871%0.706SS**  cis-165.9170.3-32.1-118.61.9000110.1
834N28.1Very low29.5Very low119 Ų119132.9 Ų132.964%0.63670%0.7SS**  trans64.8108.2148.3-66.10.2000120.8
835N26.4Very low29.2Very low134 Ų134135.6 Ų135.672%0.71771%0.706SS**  91.4146.1117.2-63.4-6.6000122.8
836S27.2Very low29Very low92 Ų92137 Ų13764%0.64371%0.713SS**  trans70.2117.8144.9480000121.2
837Q27.1Very low28.6Very low170 Ų170137.8 Ų137.879%0.79472%0.716SS**  trans72.2152.5135.8-65.7178.9-98.900117.4
838D27.2Very low28.4Very low107 Ų107137.3 Ų137.357%0.57272%0.718SS**  cis-159.1166.6-11.7-123.4-38.1000109.9
839Q30Very low28.2Very low167 Ų167138 Ų13878%0.7873%0.727SS**  trans61.5161151.9-71.7167.724.600119.2
840D27.1Very low28Very low134 Ų134136.9 Ų136.972%0.71773%0.73SS**  cis-162.5-160.8-34.9-156.5-33.2000107
841W30.2Very low27.8Very low209 Ų209137.7 Ų137.779%0.79273%0.732SS**  trans106.269.8169.2-6789.4000119.7
842Q30.6Very low27.9Very low124 Ų124138.5 Ų138.558%0.57974%0.737SS**  63128114.7-68.1-154.26.900123.6
843H28.8Very low27.8Very low162 Ų162141.5 Ų141.575%0.7574%0.74SS**  trans73.7143132.7-84.4-108.9000120.2
844T29.5Very low28Very low105 Ų105140 Ų14064%0.64474%0.74SS**  cis-152.2148.918.1-62.80000114.2
845K28.9Very low28Very low183 Ų183139.7 Ų139.780%0.79674%0.739SS**  trans68.2119.9162.8-80.8161.2-174.8170.90119
846L25.5Very low28.1Very low159 Ų159141.3 Ų141.383%0.83274%0.742SS**  67.9130.271.1-106.772.3000113.3
847I24.9Very low28Very low142 Ų142143.9 Ų143.973%0.72875%0.747SS**  cis-144.8168.227.1-66.4-178000112
848T25Very low27.9Very low117 Ų117143.7 Ų143.772%0.71875%0.749SS**  trans91.1104.3157.4170000121.6
849T27.7Very low27.8Very low138 Ų138144.6 Ų144.685%0.84776%0.758SS**  trans55.7111.4140.853.70000120.5
850S25.5Very low27.6Very low116 Ų116142.6 Ų142.681%0.81175%0.753SS**  trans-108152.3176.245.90000114.1
851P27.4Very low27.5Very low124 Ų124144.9 Ų144.981%0.80576%0.759SS**PPolyproline II helixtrans-86.9168.4165.336.5-34.1000112.1
852L30.7Very low27.3Very low169 Ų169145.1 Ų145.189%0.88576%0.762SS**PPolyproline II helixtrans-88.6154.4-177.3-100.5150000114.3
853H28.5Very low27.1Very low162 Ų162144.3 Ų144.375%0.7577%0.77SS**PPolyproline II helixtrans-56.3170.2178.7-69.8-48.4000115.6
854S32.2Very low26.9Very low106 Ų106146.1 Ų146.174%0.74178%0.775SS**  cis-142.3150.212.556.90000110.8
855N27.3Very low26.9Very low114 Ų114148.3 Ų148.361%0.6178%0.784SS**  61.7136.650.3-69.83.9000113.2
856Q30Very low26.8Very low167 Ų167147.2 Ų147.278%0.7879%0.786SS**  cis-127.9156.1-5-87.5117.6-43.500108.6
857L23.2Very low27Very low146 Ų146144.2 Ų144.276%0.76478%0.778SS**  cis75.19743.9-150.7175.9000113.7
858M26.6Very low27.2Very low167 Ų167142.6 Ų142.682%0.82377%0.772SS**  trans-163.292.4159.4-108.6-65.2-170.500110.1
859T23.7Very low27.6Very low125 Ų125144.5 Ų144.577%0.76778%0.777SS**  trans-80.3135.8156.344.90000108.3
860N27Very low28Very low126 Ų126144.3 Ų144.367%0.67477%0.77SS**  trans-152.8134.5158.5-97.9-31.5000110.5
861E24.7Very low28.4Very low181 Ų181145.7 Ų145.785%0.84676%0.764SS**  trans-68.6141.7166.7-56.8160110.600108.8
862Y26.4Very low28.6Very low215 Ų215145.9 Ų145.984%0.84375%0.754SS**  trans-141.7120.4155.3-98.7-69.1000112
863S26.4Very low28.7Very low107 Ų107140.4 Ų140.475%0.74873%0.73SS**  trans-67.5154.4170.2450000111.5N865S863-N865 PolarHBondContact O-N 3.44Å
864F24.4Very low29.2Very low199 Ų199139.1 Ų139.187%0.87372%0.722SS**  trans-57.1130.4171.9-101.3-114.9000111.5
865N28.8Very low29.2Very low152 Ų152142.6 Ų142.681%0.81372%0.72SS**  trans-158.3154.5145.2-111.2-42.8000112.6S863S863-N865 PolarHBondContact O-N 3.44Å
866N26.7Very low29.8Very low159 Ų159141 Ų14185%0.8571%0.711SS**SBendtrans-80.8120.8-165-74-45.5000114.3
867S30.5Very low30.4Very low96 Ų96139.6 Ų139.667%0.67170%0.704SS**  trans-163.1-25.5166.558.70000116.5N869S867-N869 PolarHBondContact O-N 2.81Å; S867-N869 VanDerWaalsContact O-N 3.1Å
868N29.8Very low31.2Very low109 Ų109138.3 Ų138.358%0.58370%0.698SS**THydrogen-bonded Turntrans-74.8-1.8-159-74.3-24000118.6L870 Q871 H872N868-L870 PolarHBondContact O-N 3.3Å; N868-Q871 PolarHBondContact O-N 2.99Å; N868-H872 PolarHBondContact O-N 2.95Å
869N31.9Very low31.8Very low156 Ų156137.4 Ų137.483%0.83469%0.686SS**Hα-helixtrans-62.5-17.6-175.5-81.6-8.1000114.9S867S867-N869 PolarHBondContact O-N 2.81Å; S867-N869 VanDerWaalsContact O-N 3.1Å
870L35.6Very low32.5Very low134 Ų134135.2 Ų135.270%0.70267%0.67SS**Hα-helixtrans-96.7-14.3179-149.774.4000114.8N868 S873N868-L870 PolarHBondContact O-N 3.3Å; L870-S873 PolarHBondContact O-OG 2.82Å
871Q34.3Very low33.3Very low145 Ų145135.5 Ų135.568%0.67867%0.665SS**Hα-helixtrans-88.9-34173.6-78-172.4-17.100112N868 S873 K874 Y875N868-Q871 PolarHBondContact O-N 2.99Å; Q871-S873 VanDerWaalsContact C-N 3.34Å; Q871-S873 PolarHBondContact O-N 3.15Å; Q871-K874 PolarHBondContact O-N 3.18Å; Q871-Y875 PolarHBondContact O-N 3.48Å; Q871-Y875 VanDerWaalsContact O-N 3.09Å
872H32.1Very low33.8Very low128 Ų128134.9 Ų134.959%0.59366%0.656SS**Hα-helixtrans-62.2-39.5-178.9-159.871.1000112.5N868 Y875 I876N868-H872 PolarHBondContact O-N 2.95Å; H872-Y875 PolarHBondContact O-N 2.75Å; H872-I876 WeakPolarHBondContact O-CG1 3.38Å; H872-I876 PolarHBondContact O-N 3.44Å
873S33.1Very low34.2Very low54 Ų54130.3 Ų130.338%0.37864%0.641SS.*Hα-helixtrans-64.5-42.1177.357.90000113.2L870 Q871 Y875 I876 Q877L870-S873 PolarHBondContact O-OG 2.82Å; Q871-S873 VanDerWaalsContact C-N 3.34Å; Q871-S873 PolarHBondContact O-N 3.15Å; S873-Y875 VanDerWaalsContact C-N 3.35Å; S873-I876 PolarHBondContact O-N 2.72Å; S873-Q877 PolarHBondContact O-N 2.87Å
874K39.7Very low34.9Very low136 Ų136131.3 Ų131.359%0.59163%0.634SS**Hα-helixtrans-65.5-36.7175.4-72.4-175175.1-178.80112.3Q871 Q877 N878Q871-K874 PolarHBondContact O-N 3.18Å; K874-Q877 PolarHBondContact O-N 3.28Å; K874-N878 PolarHBondContact O-N 3.38Å
875Y31.9Very low35.8Very low179 Ų179125.5 Ų125.570%0.70261%0.612SS**Hα-helixtrans-66.2-42.5175.6-153.9-86.8000111.5Q871 H872 S873 N878 Y879Q871-Y875 PolarHBondContact O-N 3.48Å; Q871-Y875 VanDerWaalsContact O-N 3.09Å; H872-Y875 PolarHBondContact O-N 2.75Å; S873-Y875 VanDerWaalsContact C-N 3.35Å; Y875-N878 PolarHBondContact O-N 3.27Å; Y875-Y879 WeakPolarHBondContact O-CB 3.3Å; Y875-Y879 PolarHBondContact O-N 3Å
876I40.2Very low36.1Very low80 Ų80121.1 Ų121.141%0.4159%0.59SS.*Hα-helixtrans-63.7-42.7175.1-70169.2000111.7H872 S873 Y879 N880H872-I876 WeakPolarHBondContact O-CG1 3.38Å; H872-I876 PolarHBondContact O-N 3.44Å; S873-I876 PolarHBondContact O-N 2.72Å; I876-Y879 PolarHBondContact O-N 2.83Å; I876-N880 WeakPolarHBondContact O-CB 3.27Å; I876-N880 PolarHBondContact O-N 2.97Å; I876-N880 PolarHBondContact O-ND2 2.75Å
877Q40.7Very low36.6Very low137 Ų137116.6 Ų116.664%0.6457%0.569SS**Hα-helixtrans-60.8-47.6175.8-84-173.3-36.500112.3S873 K874 Y879 N880 K881S873-Q877 PolarHBondContact O-N 2.87Å; K874-Q877 PolarHBondContact O-N 3.28Å; Q877-Y879 PolarHBondContact O-N 2.82Å; Q877-N880 PolarHBondContact O-N 3.35Å; Q877-K881 WeakPolarHBondContact O-CB 3.44Å; Q877-K881 PolarHBondContact O-N 3.23Å
878N40.3Very low37Very low119 Ų119116 Ų11664%0.63656%0.558SS**Hα-helixtrans-64.7-39.6178.4-79.4-9.7000112.4K874 Y875 K881 Y882K874-N878 PolarHBondContact O-N 3.38Å; Y875-N878 PolarHBondContact O-N 3.27Å; N878-K881 PolarHBondContact O-N 3.49Å; N878-Y882 WeakPolarHBondContact O-CB 3.49Å; N878-Y882 PolarHBondContact O-N 3.34Å
879Y38.8Very low37.4Very low149 Ų149115.3 Ų115.358%0.58455%0.554SS**Hα-helixtrans-64.6-43.4176.6-174.1-96000112.2Y875 I876 Q877 K883Y875-Y879 WeakPolarHBondContact O-CB 3.3Å; Y875-Y879 PolarHBondContact O-N 3Å; I876-Y879 PolarHBondContact O-N 2.83Å; Q877-Y879 PolarHBondContact O-N 2.82Å; Y879-K883 HydrophobicContact CE1-CD 4.49Å; Y879-K883 WeakPolarHBondContact O-CB 3.47Å; Y879-K883 PolarHBondContact O-N 3.11Å
880N39.1Very low37.6Very low79 Ų79111.9 Ų111.942%0.42254%0.539SS..Hα-helixtrans-65.5-42.9176.9-74.7-20.3000111.8I876 Q877 K883 E884I876-N880 WeakPolarHBondContact O-CB 3.27Å; I876-N880 PolarHBondContact O-N 2.97Å; I876-N880 PolarHBondContact O-ND2 2.75Å; Q877-N880 PolarHBondContact O-N 3.35Å; N880-K883 WeakPolarHBondContact O-CB 3.18Å; N880-K883 PolarHBondContact O-N 3.03Å; N880-E884 PolarHBondContact O-N 2.94Å
881K43.4Very low37.6Very low131 Ų131111.3 Ų111.357%0.5753%0.531SS*.Hα-helixtrans-60.9-48.2176.3-174.2174.5179.9179.80112Q877 N878 K883 E884 D885Q877-K881 WeakPolarHBondContact O-CB 3.44Å; Q877-K881 PolarHBondContact O-N 3.23Å; N878-K881 PolarHBondContact O-N 3.49Å; K881-K883 PolarHBondContact O-N 2.92Å; K881-E884 PolarHBondContact O-N 3.47Å; K881-E884 VanDerWaalsContact O-N 3.1Å; K881-D885 PolarHBondContact O-N 3.39Å
882Y35.9Very low37.9Very low169 Ų169111.2 Ų111.266%0.66353%0.53SS*.Hα-helixtrans-59.7-33.9176.8-171.5-95.6000112.5N878 T886N878-Y882 WeakPolarHBondContact O-CB 3.49Å; N878-Y882 PolarHBondContact O-N 3.34Å; Y882-T886 HydrophobicContact CD1-CG2 4.31Å; Y882-T886 HydrophobicContact CE1-CG2 3.93Å; Y882-T886 WeakPolarHBondContact O-CB 3.34Å; Y882-T886 WeakPolarHBondContact O-CG2 3.35Å; Y882-T886 PolarHBondContact O-N 3.48Å; Y882-T886 PolarHBondContact O-OG1 2.97Å
883K34.8Very low38.1Very low118 Ų118110.1 Ų110.151%0.51353%0.529SS..Hα-helixtrans-71.3-36.3175.6-173.3-179.2177.5-173.70112.8Y879 N880 K881 T886 T887Y879-K883 HydrophobicContact CE1-CD 4.49Å; Y879-K883 WeakPolarHBondContact O-CB 3.47Å; Y879-K883 PolarHBondContact O-N 3.11Å; N880-K883 WeakPolarHBondContact O-CB 3.18Å; N880-K883 PolarHBondContact O-N 3.03Å; K881-K883 PolarHBondContact O-N 2.92Å; K883-T886 WeakPolarHBondContact CA-OG1 3.37Å; K883-T886 PolarHBondContact O-OG1 3.24Å; K883-T887 VanDerWaalsContact O-CB 3.26Å; K883-T887 WeakPolarHBondContact O-CB 3.47Å; K883-T887 PolarHBondContact O-N 3.32Å; K883-T887 PolarHBondContact O-OG1 3.32Å
884E41.8Very low38.3Very low129 Ų129112.3 Ų112.360%0.60354%0.535SS*.Hα-helixtrans-69.6-46.8172-71.4-170.8120.200111.5N880 K881 T886 T887 N888N880-E884 PolarHBondContact O-N 2.94Å; K881-E884 PolarHBondContact O-N 3.47Å; K881-E884 VanDerWaalsContact O-N 3.1Å; E884-T886 VanDerWaalsContact C-N 3.34Å; E884-T886 PolarHBondContact O-N 3.03Å; E884-T887 PolarHBondContact O-N 3.28Å; E884-T887 VanDerWaalsContact O-N 3.12Å; E884-N888 WeakPolarHBondContact O-CB 3.45Å; E884-N888 PolarHBondContact O-N 3.39Å; E884-N888 PolarHBondContact O-ND2 3.38Å
885D42Very low38.2Very low76 Ų76110.7 Ų110.741%0.40653%0.532SS..Hα-helixtrans-59.7-43179-71.3-30.1000111.6K881 N889K881-D885 PolarHBondContact O-N 3.39Å; D885-N889 WeakPolarHBondContact O-CB 3.38Å; D885-N889 PolarHBondContact O-N 3.09Å; D885-N889 VanDerWaalsContact O-N 3.09Å; D885-N889 PolarHBondContact O-ND2 3.42Å
886T35.4Very low38.4Very low60 Ų60109.1 Ų109.137%0.36853%0.531SS..Hα-helixtrans-68.8-38.517447.20000112.9Y882 K883 E884 V890Y882-T886 HydrophobicContact CD1-CG2 4.31Å; Y882-T886 HydrophobicContact CE1-CG2 3.93Å; Y882-T886 WeakPolarHBondContact O-CB 3.34Å; Y882-T886 WeakPolarHBondContact O-CG2 3.35Å; Y882-T886 PolarHBondContact O-N 3.48Å; Y882-T886 PolarHBondContact O-OG1 2.97Å; K883-T886 WeakPolarHBondContact CA-OG1 3.37Å; K883-T886 PolarHBondContact O-OG1 3.24Å; E884-T886 VanDerWaalsContact C-N 3.34Å; E884-T886 PolarHBondContact O-N 3.03Å; T886-V890 WeakPolarHBondContact O-CB 3.25Å; T886-V890 VanDerWaalsContact O-CG2 3.29Å; T886-V890 WeakPolarHBondContact O-CG2 3.35Å; T886-V890 PolarHBondContact O-N 3.4Å
887T37.1Very low38Very low64 Ų64109.3 Ų109.339%0.39354%0.538SS..Hα-helixtrans-67.3-37.6177.4-58.90000112K883 E884 K891K883-T887 VanDerWaalsContact O-CB 3.26Å; K883-T887 WeakPolarHBondContact O-CB 3.47Å; K883-T887 PolarHBondContact O-N 3.32Å; K883-T887 PolarHBondContact O-OG1 3.32Å; E884-T887 PolarHBondContact O-N 3.28Å; E884-T887 VanDerWaalsContact O-N 3.12Å; T887-K891 HydrophobicContact CG2-CD 4.49Å; T887-K891 WeakPolarHBondContact O-CB 3.29Å; T887-K891 WeakPolarHBondContact O-CG 3.46Å; T887-K891 PolarHBondContact O-N 3.12Å
888N39.1Very low37.7Very low84 Ų84106.4 Ų106.445%0.44953%0.53SS..Hα-helixtrans-72.1-42.4179.2-72.5-25.1000111.8E884 V890 K891 Q892E884-N888 WeakPolarHBondContact O-CB 3.45Å; E884-N888 PolarHBondContact O-N 3.39Å; E884-N888 PolarHBondContact O-ND2 3.38Å; N888-V890 VanDerWaalsContact C-N 3.35Å; N888-V890 PolarHBondContact O-N 3.22Å; N888-K891 PolarHBondContact O-N 3.02Å; N888-Q892 PolarHBondContact O-N 3.33Å
889N38.5Very low37.6Very low95 Ų95106.2 Ų106.251%0.50853%0.529SS..Hα-helixtrans-60.9-41.8172.2-82-69.7000112.1D885 N893D885-N889 WeakPolarHBondContact O-CB 3.38Å; D885-N889 PolarHBondContact O-N 3.09Å; D885-N889 VanDerWaalsContact O-N 3.09Å; D885-N889 PolarHBondContact O-ND2 3.42Å; N889-N893 WeakPolarHBondContact O-CB 3.45Å; N889-N893 PolarHBondContact O-N 3.37Å; N889-N893 PolarHBondContact O-ND2 2.82Å; N889-N893 VanDerWaalsContact O-ND2 3.11Å
890V36.8Very low37.5Very low84 Ų84106.6 Ų106.651%0.50954%0.536SS..Hα-helixtrans-65.6-39.9175.2169.90000111.6T886 N888 I894T886-V890 WeakPolarHBondContact O-CB 3.25Å; T886-V890 VanDerWaalsContact O-CG2 3.29Å; T886-V890 WeakPolarHBondContact O-CG2 3.35Å; T886-V890 PolarHBondContact O-N 3.4Å; N888-V890 VanDerWaalsContact C-N 3.35Å; N888-V890 PolarHBondContact O-N 3.22Å; V890-I894 HydrophobicContact CG1-CD1 3.71Å; V890-I894 HydrophobicContact CG1-CG1 4.47Å; V890-I894 WeakPolarHBondContact O-CB 3.4Å; V890-I894 VanDerWaalsContact O-CG1 3.27Å; V890-I894 WeakPolarHBondContact O-CG1 3.47Å; V890-I894 PolarHBondContact O-N 2.67Å
891K34.9Very low37.3Very low122 Ų122109.6 Ų109.653%0.5355%0.552SS.*Hα-helixtrans-62.7-47.6174.8-81.3178176.3177.70112.6T887 N888 I894 I895T887-K891 HydrophobicContact CG2-CD 4.49Å; T887-K891 WeakPolarHBondContact O-CB 3.29Å; T887-K891 WeakPolarHBondContact O-CG 3.46Å; T887-K891 PolarHBondContact O-N 3.12Å; N888-K891 PolarHBondContact O-N 3.02Å; K891-I894 PolarHBondContact O-N 3.12Å; K891-I895 VanDerWaalsContact O-CG1 3.3Å; K891-I895 WeakPolarHBondContact O-CG1 3.34Å; K891-I895 PolarHBondContact O-N 3.06Å
892Q39.7Very low36.8Very low142 Ų142110.9 Ų110.966%0.66456%0.561SS**Hα-helixtrans-62.6-45.2178.4-77.1-166.1-18.300111.7N888 I894 I895 H896N888-Q892 PolarHBondContact O-N 3.33Å; Q892-I894 VanDerWaalsContact C-N 3.29Å; Q892-I894 PolarHBondContact O-N 2.81Å; Q892-I895 PolarHBondContact O-N 3.09Å; Q892-H896 WeakPolarHBondContact O-CB 3.38Å; Q892-H896 PolarHBondContact O-N 3.38Å
893N37.4Very low36.6Very low106 Ų106110.2 Ų110.257%0.56757%0.568SS**Hα-helixtrans-64.3-31.2178.2-72.9-33.6000113.3N889 C897N889-N893 WeakPolarHBondContact O-CB 3.45Å; N889-N893 PolarHBondContact O-N 3.37Å; N889-N893 PolarHBondContact O-ND2 2.82Å; N889-N893 VanDerWaalsContact O-ND2 3.11Å; N893-C897 PolarHBondContact O-N 2.94Å; N893-C897 PolarHBondContact O-SG 2.72Å
894I36.8Very low36.5Very low100 Ų100113.3 Ų113.351%0.51358%0.584SS.*Hα-helixtrans-73.1-44.7173.3-71.3170.1000111V890 K891 Q892 H896 C897 V898V890-I894 HydrophobicContact CG1-CD1 3.71Å; V890-I894 HydrophobicContact CG1-CG1 4.47Å; V890-I894 WeakPolarHBondContact O-CB 3.4Å; V890-I894 VanDerWaalsContact O-CG1 3.27Å; V890-I894 WeakPolarHBondContact O-CG1 3.47Å; V890-I894 PolarHBondContact O-N 2.67Å; K891-I894 PolarHBondContact O-N 3.12Å; Q892-I894 VanDerWaalsContact C-N 3.29Å; Q892-I894 PolarHBondContact O-N 2.81Å; I894-H896 VanDerWaalsContact C-N 3.31Å; I894-H896 PolarHBondContact O-N 3.1Å; I894-C897 PolarHBondContact O-N 3.24Å; I894-V898 HydrophobicContact CG2-CG2 4.22Å; I894-V898 WeakPolarHBondContact O-CG2 3.45Å; I894-V898 PolarHBondContact O-N 3.02Å
895I37.9Very low35.9Very low102 Ų102114.5 Ų114.552%0.52360%0.595SS.*Hα-helixtrans-60.5-42.7177.9-69.9165.1000110.8K891 Q892 C897 V898 N899K891-I895 VanDerWaalsContact O-CG1 3.3Å; K891-I895 WeakPolarHBondContact O-CG1 3.34Å; K891-I895 PolarHBondContact O-N 3.06Å; Q892-I895 PolarHBondContact O-N 3.09Å; I895-C897 VanDerWaalsContact C-N 3.29Å; I895-C897 PolarHBondContact O-N 2.89Å; I895-V898 PolarHBondContact O-N 3.24Å; I895-N899 PolarHBondContact O-N 3.19Å
896H35.3Very low35.5Very low145 Ų145116.7 Ų116.767%0.67162%0.616SS**Hα-helixtrans-68.9-24.2179.5-149.9-56.8000113.6Q892 I894Q892-H896 WeakPolarHBondContact O-CB 3.38Å; Q892-H896 PolarHBondContact O-N 3.38Å; I894-H896 VanDerWaalsContact C-N 3.31Å; I894-H896 PolarHBondContact O-N 3.1Å
897C31.5Very low35.3Very low85 Ų85120.4 Ų120.457%0.57463%0.634SS**Hα-helixtrans-87.1-27174.3-70.60000113.9N893 I894 I895 N901N893-C897 PolarHBondContact O-N 2.94Å; N893-C897 PolarHBondContact O-SG 2.72Å; I894-C897 PolarHBondContact O-N 3.24Å; I895-C897 VanDerWaalsContact C-N 3.29Å; I895-C897 PolarHBondContact O-N 2.89Å; C897-N901 PolarHBondContact O-ND2 3.48Å
898V36.4Very low35.1Very low75 Ų75123.9 Ų123.946%0.45565%0.65SS.*Hα-helixtrans-78.9-40.3-178.6168.90000111.8I894 I895 H900 N901I894-V898 HydrophobicContact CG2-CG2 4.22Å; I894-V898 WeakPolarHBondContact O-CG2 3.45Å; I894-V898 PolarHBondContact O-N 3.02Å; I895-V898 PolarHBondContact O-N 3.24Å; V898-H900 PolarHBondContact O-N 3.06Å; V898-N901 PolarHBondContact O-N 3.01Å
899N37.3Very low34.8Very low116 Ų116126.7 Ų126.762%0.6267%0.665SS**G310 helixtrans-64.4-22.8179.5-75.40.3000113.5I895I895-N899 PolarHBondContact O-N 3.19Å
900H37.4Very low34.4Very low157 Ų157129.3 Ų129.373%0.72768%0.678SS**G310 helixtrans-86.5-1.6-175.3-141.2-58.1000114.8V898V898-H900 PolarHBondContact O-N 3.06Å
901N34.8Very low34.1Very low142 Ų142129.6 Ų129.676%0.75968%0.683SS**G310 helixtrans-120.312.2-177.1-75.8-68.8000114C897 V898C897-N901 PolarHBondContact O-ND2 3.48Å; V898-N901 PolarHBondContact O-N 3.01Å
902M32Very low34Very low157 Ų157131.4 Ų131.477%0.77370%0.697SS**SBendtrans-105.96.4-175-80.8-71.3-165.100114.8
903L31.4Very low33.6Very low155 Ų155128.6 Ų128.681%0.81269%0.693SS**SBendtrans-124.219.9-165.8-96.1166.3000115.8
904H32.4Very low33.4Very low183 Ų183131 Ų13185%0.84771%0.706SS**SBendtrans-137.868.3177.1-112-76.2000112.7
905N29.5Very low33.3Very low154 Ų154131.6 Ų131.682%0.82472%0.719SS**SBendtrans173.183143-91.4-11.1000111.1
906S33.5Very low32.9Very low122 Ų122131.3 Ų131.385%0.85373%0.726SS**  trans-150.9139.3153.1-81.80000106.7
907N32.7Very low32.8Very low139 Ų139131.6 Ų131.674%0.74373%0.732SS**  trans-83.5170-170.4-65.9-14.3000113
908D32.5Very low32.8Very low137 Ų137131.5 Ų131.573%0.73373%0.733SS**  trans81124.8153.3-51.3-42.1000119.4
909N31.6Very low32.5Very low143 Ų143135 Ų13577%0.76575%0.749SS**  trans91.6110.8152.3-59.5-40.1000121.7
910I31.7Very low32.2Very low150 Ų150134.9 Ų134.977%0.76976%0.757SS**  trans90.185.3133.8-60.1168000119.2
911S30.3Very low31.8Very low89 Ų89132.2 Ų132.262%0.62276%0.757SS**  63.8128.5125.276.30000125
912I31.8Very low31.5Very low160 Ų160131.6 Ų131.682%0.82176%0.757SS**  67.4135.9128.4-64.7171.6000118.6
913S32.4Very low31.4Very low83 Ų83131.8 Ų131.858%0.5876%0.76SS**  cis-174.9153.8-18.162.10000111.7
914N33.2Very low31.2Very low156 Ų156130.3 Ų130.383%0.83476%0.758SS**  trans63.5154.1149.2-63.2-7.5000119.9
915S32.9Very low31.1Very low114 Ų114129.8 Ų129.880%0.79776%0.761SS**  cis-160.7165-11.5430000112.8
916S31.1Very low30.9Very low96 Ų96127.5 Ų127.567%0.67176%0.757SS**  trans-73.4162.2-17054.60000119.6
917N33.4Very low30.6Very low150 Ų150131.6 Ų131.680%0.80276%0.759SS**  trans152.5156.6131-77.2-10.1000113.3
918S31.3Very low30.5Very low84 Ų84131.3 Ų131.359%0.58776%0.763SS**  cis-176.4151.6-28.858.10000112.9
919N30.1Very low30Very low148 Ų148130.3 Ų130.379%0.79177%0.766SS**  trans94.6140.8148.6-62.1-21.3000124.9
920S30.5Very low30Very low113 Ų113130.4 Ų130.479%0.7977%0.771SS**  trans79.1146.2159.180.40000119.9
921S28.1Very low29.7Very low102 Ų102131.7 Ų131.771%0.71377%0.774SS**  cis-169.3172.7-25.352.90000113.2
922V27.9Very low29.7Very low128 Ų128132.3 Ų132.378%0.77678%0.778SS**  trans79147159-134.90000122
923I30.1Very low29.4Very low162 Ų162132 Ų13283%0.83178%0.776SS**  trans84.1134.7164.4-50.8-173.2000117.9
924T27.1Very low29.3Very low124 Ų124135.8 Ų135.876%0.76179%0.788SS**  trans-107.5134.2-162.950.50000114.2
925N30.7Very low29Very low171 Ų171135.3 Ų135.391%0.91479%0.786SS**  trans-152.2105.4151.1-113.1-36.5000109.6
926S26.7Very low28.8Very low106 Ų106135.6 Ų135.674%0.74179%0.788SS**  trans-94.8106.3-160.953.30000114.4
927K27Very low28.6Very low208 Ų208138.8 Ų138.890%0.90480%0.798SS**  trans-129.295.4147.6-76.7-172.7177.4176.50108.4
928T29.2Very low28.5Very low133 Ų133137.3 Ų137.382%0.81680%0.799SS**  trans-81.4139-168.342.70000113.5
929C22.8Very low28.3Very low117 Ų117142.9 Ų142.979%0.79182%0.815SS**  trans-75.7160165.3-540000111.4
930T31.1Very low28.3Very low144 Ų144139.3 Ų139.388%0.88381%0.813SS**  trans-134.5144.7150.541.10000108.8
931H25.7Very low28.1Very low178 Ų178141.8 Ų141.882%0.82482%0.823SS**  trans-127.7-172.4-173.6-133.4-118.5000108.8
932S29.8Very low28Very low102 Ų102139.9 Ų139.971%0.71382%0.819SS**  trans64.8133.6178.628.60000114.7
933I25.7Very low28Very low152 Ų152141.4 Ų141.478%0.77982%0.822SS**  cis69.6102.834.7-50.2171.4000112.9
934I31.1Very low27.9Very low163 Ų163140 Ų14084%0.83682%0.822SS**  trans-178.4148.1138.3-94.8153.9000107.7
935D25.6Very low27.9Very low147 Ų147142.7 Ų142.779%0.78682%0.823SS**  trans-72151.3-176-52.2-84.3000114.3
936S30.4Very low27.7Very low120 Ų120139.3 Ų139.384%0.83981%0.813SS**  trans-175.8142.9131.725.20000111.7
937D26.4Very low27.7Very low163 Ų163142.7 Ų142.787%0.87282%0.817SS**  trans-70.1137.4176.7-61-81.9000112.9
938S30.8Very low27.8Very low118 Ų118139.6 Ų139.683%0.82582%0.815SS**  trans-175.8157.7138.140.60000112.7G940S938-G940 PolarHBondContact O-N 2.95Å
939H27.4Very low27.6Very low202 Ų202142.4 Ų142.494%0.93581%0.812SS**  trans-74.2119.8-176.2-61-84.2000112.7
940G29.3Very low27.6Very low73 Ų73141.7 Ų141.775%0.75381%0.807SS**  trans-142.4115.1172.200000112.6S938S938-G940 PolarHBondContact O-N 2.95Å
941V27.2Very low27.4Very low165 Ų165140.1 Ų140.1100%180%0.799SS**  trans-90.8104179.5179.70000110.2
942G26.2Very low27.3Very low61 Ų61136.7 Ų136.763%0.62979%0.787SS**  trans-16499.7176.300000113.6T944G942-T944 PolarHBondContact O-N 3.39Å
943L28.7Very low27.1Very low160 Ų160137.6 Ų137.684%0.83878%0.782SS**  trans-89.387.4178-73.5174.8000112F945L943-F945 HydrophobicContact CD2-CE2 4.32Å
944T27.3Very low27.3Very low134 Ų134133 Ų13382%0.82276%0.756SS**  trans-101101.3166.250.90000110.4G942G942-T944 PolarHBondContact O-N 3.39Å
945F27.8Very low27.6Very low180 Ų180127.8 Ų127.879%0.78973%0.725SS**  trans-80.8117.6177.2-91.4-87.4000111.8L943L943-F945 HydrophobicContact CD2-CE2 4.32Å
946S25Very low28.4Very low100 Ų100121.3 Ų121.370%0.69969%0.69SS**  trans-149.2148.3164.8-74.90000110.1
947H26.4Very low28.6Very low176 Ų176116.2 Ų116.282%0.81565%0.654SS**  trans53.793.2175.4-55.6-77.6000118.2
948V29Very low29.3Very low143 Ų143109.4 Ų109.487%0.86762%0.618SS**  -147.4118.9107.7176.80000107.4
949Y25.4Very low29.9Very low193 Ų193104.1 Ų104.176%0.75758%0.58SS**  trans-91.8122.3173.9-104.8-109.4000110.2
950C24Very low30.5Very low102 Ų10295.4 Ų95.469%0.68954%0.541SS*.  trans-143.7125.2163.4-170.90000108.3L952C950-L952 PolarHBondContact O-N 2.94Å
951P25.3Very low31.2Very low111 Ų11195 Ų9572%0.72152%0.524SS*.  trans-80.378.4-168.931.8-35.8000112.5I953P951-I953 PolarHBondContact O-N 3.49Å
952L25.2Very low32.4Very low106 Ų10687.6 Ų87.656%0.55548%0.478SS*.  trans-64.1112.2157.9-76.2168.8000108.2C950 Y954C950-L952 PolarHBondContact O-N 2.94Å; L952-Y954 VanDerWaalsContact O-CD2 3.25Å; L952-Y954 WeakPolarHBondContact O-CD2 3.47Å; L952-Y954 PolarHBondContact O-N 2.96Å
953I25.7Very low33.4Very low121 Ų12186.3 Ų86.362%0.62146%0.46SS*.  trans-71.7121.7-178.6-63.3171.1000109.8L415 P951L415-I953 HydrophobicContact CD1-CG2 3.87Å; P951-I953 PolarHBondContact O-N 3.49Å
954Y29Very low34.7Very low56 Ų5678.8 Ų78.822%0.2242%0.42CS..  trans-74.7144.6-176.1-81.2-133.3000111L415 K425 W429 T528 L952L415-Y954 WeakPolarHBondContact CD1-O 3.26Å; K425-Y954 HydrophobicContact CD-CD2 3.99Å; K425-Y954 HydrophobicContact CD-CE2 3.79Å; K425-Y954 HydrophobicContact CG-CD1 4.23Å; K425-Y954 HydrophobicContact CG-CD2 4.23Å; K425-Y954 HydrophobicContact CG-CE1 4.04Å; K425-Y954 HydrophobicContact CG-CE2 4.07Å; K425-Y954 HydrophobicContact CG-CG 4.35Å; W429-Y954 AromaticContact CD1-CE1 3.96Å; W429-Y954 AromaticContact NE1-CE1 3.43Å; W429-Y954 AromaticContact NE1-CZ 3.61Å; W429-Y954 PolarHBondContact NE1-OH 3.02Å; T528-Y954 HydrophobicContact CG2-CD1 3.42Å; T528-Y954 VanDerWaalsContact CG2-CD1 3.42Å; T528-Y954 HydrophobicContact CG2-CE1 3.3Å; T528-Y954 HydrophobicContact CG2-CG 4.35Å; L952-Y954 VanDerWaalsContact O-CD2 3.25Å; L952-Y954 WeakPolarHBondContact O-CD2 3.47Å; L952-Y954 PolarHBondContact O-N 2.96Å
955R36.8Very low35.8Very low52 Ų5275.1 Ų75.120%0.19640%0.395CS..  trans-133.1110.9158.9-93.7-169.8171.2102.9-9.2108.4T413 L415 S957T413-R955 PolarHBondContact O-NH2 3.42Å; L415-R955 HydrophobicContact CD1-CG 4.23Å; R955-S957 WeakPolarHBondContact CD-OG 3.43Å
956E42.4Very low36.8Very low11 Ų1168.4 Ų68.45%0.05137%0.367CS..  trans-79.41.3164.2-66.9-170.8102.600112.4F169 Y424 S428 R431 D958F169-E956 HydrophobicContact CZ-CB 4.34Å; Y424-E956 WeakPolarHBondContact CE2-OE2 3.32Å; Y424-E956 VanDerWaalsContact CZ-OE2 3.28Å; Y424-E956 WeakPolarHBondContact OH-CB 3.45Å; Y424-E956 WeakPolarHBondContact OH-CG 3.4Å; Y424-E956 PolarHBondContact OH-OE2 3.32Å; S428-E956 VanDerWaalsContact CB-OE2 3.32Å; S428-E956 WeakPolarHBondContact CB-OE2 3.47Å; S428-E956 PolarHBondContact OG-OE2 2.82Å; R431-E956 IonicContact CZ-OE1 2.71Å; R431-E956 VanDerWaalsContact CZ-OE1 3.27Å; R431-E956 IonicContact NE-OE1 2.61Å; R431-E956 PolarHBondContact NE-OE1 2.03Å; R431-E956 IonicContact NE-OE2 2.66Å; R431-E956 IonicContact NH2-OE1 3.33Å; R431-E956 PolarHBondContact NH2-OE1 3Å; R431-E956 IonicContact NH2-OE2 3.67Å; E956-D958 PolarHBondContact O-N 2.95Å
957S35.3Very low37.7Very low13 Ų1368.5 Ų68.59%0.09136%0.359CS..  trans-79.1116.5179.464.40000111.6R955 F959R955-S957 WeakPolarHBondContact CD-OG 3.43Å; S957-F959 PolarHBondContact O-N 3.32Å; S957-F959 PolarHBondContact OG-O 3.47Å
958D41.3Very low38.3Very low20 Ų2065 Ų6511%0.10735%0.345CS..SBendtrans-63.6-3165.6-73.2-59.8000113.6R140 E956R140-D958 PolarHBondContact NH2-O 3.46Å; E956-D958 PolarHBondContact O-N 2.95Å
959F42.7Very low38.6Very low8 Ų865 Ų654%0.03534%0.336CS..SBendtrans-90.7116.1166-49.8-58.7000109.6N164 L168 S957N164-F959 HydrophobicContact CB-CD1 4.35Å; N164-F959 HydrophobicContact CB-CD2 4.06Å; N164-F959 HydrophobicContact CB-CE2 4.27Å; N164-F959 HydrophobicContact CB-CG 4.14Å; N164-F959 VanDerWaalsContact ND2-CD1 3.33Å; N164-F959 WeakPolarHBondContact ND2-CD1 3.39Å; L168-F959 HydrophobicContact CD2-CE1 4.05Å; L168-F959 HydrophobicContact CD2-CE2 4.05Å; L168-F959 HydrophobicContact CD2-CZ 3.33Å; L168-F959 HydrophobicContact CG-CE2 4.1Å; L168-F959 HydrophobicContact CG-CZ 3.81Å; S957-F959 PolarHBondContact O-N 3.32Å; S957-F959 PolarHBondContact OG-O 3.47Å
960D40.6Very low38.8Very low19 Ų1963.6 Ų63.610%0.10234%0.336CS..  trans-65.4177.6169.1-56.2-66000111.1R140 T413 R554 I962R140-D960 IonicContact CZ-OD2 3.36Å; R140-D960 IonicContact NE-OD2 2.72Å; R140-D960 IonicContact NH2-OD2 2.75Å; R140-D960 PolarHBondContact NH2-OD2 3.36Å; T413-D960 PolarHBondContact OG1-O 3.45Å; R554-D960 IonicContact CZ-OD1 3.52Å; R554-D960 IonicContact CZ-OD2 2.72Å; R554-D960 IonicContact NH1-OD1 2.97Å; R554-D960 PolarHBondContact NH1-OD1 3.28Å; R554-D960 IonicContact NH1-OD2 3.75Å; R554-D960 VanDerWaalsContact NH2-CG 3.28Å; R554-D960 IonicContact NH2-OD1 3.93Å; R554-D960 PolarHBondContact NH2-OD1 3.49Å; R554-D960 IonicContact NH2-OD2 2.73Å; R554-D960 PolarHBondContact NH2-OD2 2.93Å; D960-I962 HydrophobicContact CB-CG1 4.33Å; D960-I962 PolarHBondContact O-N 3.07Å
961V43.1Very low39.1Very low65 Ų6565.8 Ų65.839%0.39434%0.341SS..  trans-75.173171-169.50000108.2F412 S963F412-V961 HydrophobicContact CB-CG1 3.88Å; F412-V961 HydrophobicContact CD2-CG1 3.77Å; F412-V961 HydrophobicContact CG-CG1 3.98Å; V961-S963 PolarHBondContact O-N 3.03Å; V961-S963 VanDerWaalsContact O-N 3.16Å
962I52.8Low39.6Very low9 Ų968.6 Ų68.65%0.04635%0.345CS..  trans-79.999.6175.6-53.3166.5000106.6V139 R140 D960V139-I962 HydrophobicContact CB-CD1 4.16Å; V139-I962 HydrophobicContact CG1-CB 4.05Å; V139-I962 HydrophobicContact CG1-CD1 3.69Å; V139-I962 HydrophobicContact CG1-CG1 4.49Å; V139-I962 HydrophobicContact CG1-CG2 3.86Å; V139-I962 WeakPolarHBondContact O-CG2 3.37Å; R140-I962 HydrophobicContact CG-CD1 3.51Å; R140-I962 HydrophobicContact CG-CG1 4.41Å; D960-I962 HydrophobicContact CB-CG1 4.33Å; D960-I962 PolarHBondContact O-N 3.07Å
963S48.3Very low40Very low34 Ų3469.2 Ų69.224%0.23836%0.355CS..  trans-74146.6170.346.90000111.5R157 Q410 V411 V961R157-S963 PolarHBondContact NH2-O 3.33Å; Q410-S963 PolarHBondContact OE1-OG 3.09Å; V411-S963 CarbonylContact O-C 3.58Å; V411-S963 WeakPolarHBondContact O-CA 3.47Å; V961-S963 PolarHBondContact O-N 3.03Å; V961-S963 VanDerWaalsContact O-N 3.16Å
964V54.4Low40.5Very low1 Ų171.4 Ų71.41%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-118.7114.2162.7176.30000105.6R154 R157 I158 L161 Q410 V411R154-V964 HydrophobicContact CG-CG1 4.08Å; R157-V964 HydrophobicContact CB-CG2 3.93Å; I158-V964 HydrophobicContact CD1-CG1 4.39Å; I158-V964 HydrophobicContact CG1-CB 4.41Å; I158-V964 HydrophobicContact CG1-CG1 3.94Å; L161-V964 HydrophobicContact CD1-CB 4.31Å; L161-V964 HydrophobicContact CD1-CG2 3.68Å; Q410-V964 WeakPolarHBondContact CA-O 3.31Å; V411-V964 PolarHBondContact N-O 3.26Å; V411-V964 PolarHBondContact O-N 2.8Å
965D50.3Low40.9Very low57 Ų5773.9 Ų73.931%0.30539%0.386SS..EExtended strand (participates in β ladder)trans-60.7145.8169.4-51-71.7000109.2R154 M409 Q410R154-D965 PolarHBondContact NE-O 2.83Å; R154-D965 PolarHBondContact NH2-O 3.33Å; M409-D965 CarbonylContact O-C 3.56Å; M409-D965 VanDerWaalsContact O-CA 3.31Å; M409-D965 WeakPolarHBondContact O-CA 3.4Å; Q410-D965 WeakPolarHBondContact CG-OD1 3.46Å; Q410-D965 PolarHBondContact NE2-OD1 3.35Å
966E49.6Very low40.8Very low40 Ų4078.3 Ų78.319%0.18741%0.413CS..EExtended strand (participates in β ladder)trans-131.2125.7178.9-174.8168.9-125.400108.1R154 R365 M409 V411R154-E966 VanDerWaalsContact NH2-CA 3.34Å; R365-E966 IonicContact CZ-OE1 3.85Å; R365-E966 IonicContact CZ-OE2 3.73Å; R365-E966 IonicContact NH1-OE1 2.75Å; R365-E966 PolarHBondContact NH1-OE1 3.4Å; R365-E966 IonicContact NH1-OE2 2.72Å; R365-E966 PolarHBondContact NH1-OE2 3.19Å; M409-E966 HydrophobicContact CB-CB 3.89Å; M409-E966 PolarHBondContact N-O 3.41Å; M409-E966 PolarHBondContact O-N 3.4Å; V411-E966 HydrophobicContact CG2-CB 4.33Å
967N43.8Very low40.3Very low101 Ų10183.4 Ų83.454%0.5445%0.45SS..  trans-96144.1174.1-68.321.7000107.2R154 E969R154-N967 PolarHBondContact NH1-OD1 3.29Å; R154-N967 VanDerWaalsContact NH2-N 3.18Å; R154-N967 PolarHBondContact NH2-OD1 3.43Å; N967-E969 PolarHBondContact O-N 3.06Å
968I38.6Very low39.8Very low102 Ų10293.1 Ų93.152%0.52349%0.491SS..  trans-77.388.9179.9-53.6170.8000108.9Q970I968-Q970 HydrophobicContact CG2-CG 4.37Å
969E35.9Very low39.2Very low144 Ų144102.1 Ų102.167%0.67354%0.538SS*.  trans-81134.9146.4-69.1176.8155.500106.6R155 N967R155-E969 IonicContact NH2-OE2 3.35Å; R155-E969 PolarHBondContact NH2-OE2 3.42Å; N967-E969 PolarHBondContact O-N 3.06Å
970Q29.9Very low39.1Very low163 Ų163106.9 Ų106.976%0.76256%0.563SS**  trans-80.6162.9179.9-70.7173.8-120.100111.2I968I968-Q970 HydrophobicContact CG2-CG 4.37Å
971D30.7Very low39Very low149 Ų149111.5 Ų111.580%0.79759%0.588SS**  trans66.778.9163.6-49.2-27.7000118.1
972E36Very low38.7Very low169 Ų169114.1 Ų114.179%0.7960%0.599SS**  trans-151.1146.3140.1-111.2-179.2-176.300109.8
973P33.2Very low37.9Very low120 Ų120120.2 Ų120.278%0.77963%0.631SS**  trans-78.5163.5-172.932.2-35.4000113.5
974E36.7Very low37.3Very low167 Ų167125.6 Ų125.678%0.7866%0.656SS**  trans-62.9138.6-179.4-65.1-164.2119.900112.9N976E974-N976 PolarHBondContact O-N 3.27Å
975P36.1Very low36.1Very low108 Ų108133.9 Ų133.970%0.70170%0.699SS**  trans-70.699.2161.329.9-31.2000108.5S977P975-S977 PolarHBondContact O-N 3.27Å
976N35.3Very low35.1Very low145 Ų145139.4 Ų139.478%0.77573%0.727SS**  trans-40.5131.3-178.9-74.3-26000112.6E974 F978E974-N976 PolarHBondContact O-N 3.27Å; N976-F978 PolarHBondContact O-N 3.08Å
977S31.9Very low34Very low118 Ų118147.1 Ų147.183%0.82577%0.769SS**  trans-67.299-176.257.60000111.9P975 L979P975-S977 PolarHBondContact O-N 3.27Å; S977-L979 PolarHBondContact O-N 3.1Å
978F25Very low33.2Very low216 Ų216150.9 Ų150.995%0.94779%0.788SS**  trans-76.4110.1169.7-125.8-85.1000109.6N976N976-F978 PolarHBondContact O-N 3.08Å
979L29Very low32.7Very low210 Ų210155.4 Ų155.4100%1.09981%0.812SS**  trans-139.70175.9-145.4179.4000108.6S977S977-L979 PolarHBondContact O-N 3.1Å

Retrieved 979 of 979 residues in 256.2 ms (Link to these results)

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