G4VQV0_SCHMA Loading...

SPEF1-like protein

AlphaFold DB , UniProt , Accession G4VQV0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 261 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
1M44.8Very low78.3Confident212 Ų21296.9 Ų96.9100%1.04452%0.521SS*.  074.20-92.9-161.2-17700105.8
2D61.9Low79Confident152 Ų15294.2 Ų94.281%0.81350%0.498SS*.PPolyproline II helixtrans-92.8130.2-170.5-49.3-76.5000104.2
3M68.6Low79.7Confident56 Ų5691.6 Ų91.628%0.27649%0.488SS..PPolyproline II helixtrans-76135.3178.3-72.1169.1-67.900107.4D5 E99 K100M3-D5 PolarHBondContact O-N 3.15Å; M3-E99 HydrophobicContact CE-CB 3.73Å; M3-E99 HydrophobicContact SD-CB 4.29Å; M3-K100 HydrophobicContact CE-CG 3.96Å; M3-K100 HydrophobicContact SD-CD 4.43Å; M3-K100 HydrophobicContact SD-CG 3.44Å; M3-K100 WeakPolarHBondContact SD-CG 3.47Å
4D80.8Confident80.4Confident108 Ų10887.2 Ų87.258%0.57846%0.462SS*.PPolyproline II helixtrans-54.1127.6-178.7-56.4-56.6000110.5A6 L7 L8D4-A6 PolarHBondContact O-N 3.31Å; D4-L7 HydrophobicContact CB-CB 4.43Å; D4-L7 HydrophobicContact CB-CD1 4.13Å; D4-L7 HydrophobicContact CB-CG 4.13Å; D4-L7 WeakPolarHBondContact O-CA 3.22Å; D4-L7 WeakPolarHBondContact O-CB 3.44Å; D4-L7 PolarHBondContact O-N 2.78Å; D4-L8 PolarHBondContact O-N 2.75Å
5D84.8Confident80.7Confident135 Ų13581.5 Ų81.572%0.72243%0.431SS*.Hα-helixtrans-55.2-31.1-176.8-68.4-43.1000112.4M3 L8 Q9M3-D5 PolarHBondContact O-N 3.15Å; D5-L8 PolarHBondContact O-N 3.18Å; D5-Q9 WeakPolarHBondContact O-CB 3.31Å; D5-Q9 PolarHBondContact O-N 2.89Å
6A86.7Confident80.9Confident81 Ų8183.1 Ų83.167%0.66944%0.44SS*.Hα-helixtrans-65.2-40.4174.600000113.2D4 D10D4-A6 PolarHBondContact O-N 3.31Å; A6-D10 PolarHBondContact O-N 3Å
7L85.5Confident81.2Confident89 Ų8987.5 Ų87.547%0.46646%0.455SS..Hα-helixtrans-70.2-37.2175-67176.5000110.9D4 D10 L11D4-L7 HydrophobicContact CB-CB 4.43Å; D4-L7 HydrophobicContact CB-CD1 4.13Å; D4-L7 HydrophobicContact CB-CG 4.13Å; D4-L7 WeakPolarHBondContact O-CA 3.22Å; D4-L7 WeakPolarHBondContact O-CB 3.44Å; D4-L7 PolarHBondContact O-N 2.78Å; L7-D10 PolarHBondContact O-N 3.44Å; L7-L11 VanDerWaalsContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CB 3.43Å; L7-L11 PolarHBondContact O-N 3.2Å
8L85.5Confident81.4Confident38 Ų3883.2 Ų83.220%0.19943%0.432CS..Hα-helixtrans-64.2-42175.9-176.257.8000111.5D4 D5 L11 Y12 E99D4-L8 PolarHBondContact O-N 2.75Å; D5-L8 PolarHBondContact O-N 3.18Å; L8-L11 WeakPolarHBondContact O-CB 3.29Å; L8-L11 PolarHBondContact O-N 3.39Å; L8-Y12 HydrophobicContact CD1-CD2 4.46Å; L8-Y12 HydrophobicContact CD1-CE1 4.04Å; L8-Y12 HydrophobicContact CD1-CE2 3.77Å; L8-Y12 HydrophobicContact CD2-CE2 4.15Å; L8-Y12 HydrophobicContact CG-CD2 4.24Å; L8-Y12 HydrophobicContact CG-CE2 3.59Å; L8-Y12 WeakPolarHBondContact O-CD2 3.3Å; L8-Y12 PolarHBondContact O-N 3.48Å; L8-E99 HydrophobicContact CD1-CB 4.08Å; L8-E99 HydrophobicContact CD1-CG 3.71Å
9Q86.4Confident81.4Confident119 Ų11984.2 Ų84.256%0.55644%0.444SS*.Hα-helixtrans-66.4-43.6176.1-1736033.500112.4D5 L11 Y12 V13D5-Q9 WeakPolarHBondContact O-CB 3.31Å; D5-Q9 PolarHBondContact O-N 2.89Å; Q9-L11 VanDerWaalsContact C-N 3.31Å; Q9-L11 PolarHBondContact O-N 3.35Å; Q9-Y12 PolarHBondContact O-N 2.85Å; Q9-V13 WeakPolarHBondContact O-CG2 3.2Å; Q9-V13 PolarHBondContact O-N 3.28Å
10D89Confident81.3Confident72 Ų7281.6 Ų81.639%0.38543%0.431SS..Hα-helixtrans-62.4-39.2174.5-177.657.9000111.6A6 L7 V13 W14 R106A6-D10 PolarHBondContact O-N 3Å; L7-D10 PolarHBondContact O-N 3.44Å; D10-V13 PolarHBondContact O-N 2.85Å; D10-W14 WeakPolarHBondContact O-CB 3.33Å; D10-W14 PolarHBondContact O-N 2.82Å; D10-R106 IonicContact OD2-CZ 3.67Å; D10-R106 IonicContact OD2-NH1 2.63Å; D10-R106 PolarHBondContact OD2-NH1 3.4Å; D10-R106 IonicContact OD2-NH2 3.05Å; D10-R106 PolarHBondContact OD2-NH2 3.4Å
11L87.7Confident80.9Confident4 Ų481.9 Ų81.92%0.02144%0.44CS..Hα-helixtrans-59.8-48.3174.1-172.965.3000111.3L7 L8 Q9 V13 W14 V15 E99 L102 L103L7-L11 VanDerWaalsContact O-CB 3.32Å; L7-L11 WeakPolarHBondContact O-CB 3.43Å; L7-L11 PolarHBondContact O-N 3.2Å; L8-L11 WeakPolarHBondContact O-CB 3.29Å; L8-L11 PolarHBondContact O-N 3.39Å; Q9-L11 VanDerWaalsContact C-N 3.31Å; Q9-L11 PolarHBondContact O-N 3.35Å; L11-V13 PolarHBondContact O-N 3.36Å; L11-W14 HydrophobicContact CD1-CE3 4.12Å; L11-W14 WeakPolarHBondContact O-CB 3.36Å; L11-W14 PolarHBondContact O-N 3.37Å; L11-W14 VanDerWaalsContact O-N 3.14Å; L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 3.3Å; L11-E99 HydrophobicContact CD2-CB 4.32Å; L11-E99 WeakPolarHBondContact CD2-O 3.35Å; L11-L102 HydrophobicContact CD1-CB 4.16Å; L11-L102 HydrophobicContact CD2-CB 4.05Å; L11-L102 HydrophobicContact CG-CB 4.44Å; L11-L103 HydrophobicContact CD2-CB 4.41Å
12Y87Confident82Confident64 Ų6475.8 Ų75.825%0.25141%0.405SS..Hα-helixtrans-61.4-44.7177.5-66.7-36.4000112.7L8 Q9 W14 V15 D16 I27L8-Y12 HydrophobicContact CD1-CD2 4.46Å; L8-Y12 HydrophobicContact CD1-CE1 4.04Å; L8-Y12 HydrophobicContact CD1-CE2 3.77Å; L8-Y12 HydrophobicContact CD2-CE2 4.15Å; L8-Y12 HydrophobicContact CG-CD2 4.24Å; L8-Y12 HydrophobicContact CG-CE2 3.59Å; L8-Y12 WeakPolarHBondContact O-CD2 3.3Å; L8-Y12 PolarHBondContact O-N 3.48Å; Q9-Y12 PolarHBondContact O-N 2.85Å; Y12-W14 PolarHBondContact O-N 3.4Å; Y12-V15 PolarHBondContact O-N 2.93Å; Y12-V15 VanDerWaalsContact O-N 3.14Å; Y12-D16 WeakPolarHBondContact O-CB 3.42Å; Y12-D16 PolarHBondContact O-N 3.03Å; Y12-I27 HydrophobicContact CE1-CB 3.96Å; Y12-I27 HydrophobicContact CE1-CD1 4.41Å; Y12-I27 HydrophobicContact CE1-CG1 4.01Å; Y12-I27 HydrophobicContact CE1-CG2 3.84Å
13V88Confident82.3Confident61 Ų6176.3 Ų76.337%0.3741%0.406SS..Hα-helixtrans-59.2-35.7174.3171.80000111.5Q9 D10 L11 K17Q9-V13 WeakPolarHBondContact O-CG2 3.2Å; Q9-V13 PolarHBondContact O-N 3.28Å; D10-V13 PolarHBondContact O-N 2.85Å; L11-V13 PolarHBondContact O-N 3.36Å; V13-K17 WeakPolarHBondContact O-CG 3.38Å; V13-K17 PolarHBondContact O-N 2.79Å
14W88.6Confident82.3Confident30 Ų3075.6 Ų75.611%0.11440%0.402CS..Hα-helixtrans-66.9-45.9173.3175.283.5000112.7D10 L11 Y12 D16 K17 I18 V40 F44 R106 I109D10-W14 WeakPolarHBondContact O-CB 3.33Å; D10-W14 PolarHBondContact O-N 2.82Å; L11-W14 HydrophobicContact CD1-CE3 4.12Å; L11-W14 WeakPolarHBondContact O-CB 3.36Å; L11-W14 PolarHBondContact O-N 3.37Å; L11-W14 VanDerWaalsContact O-N 3.14Å; Y12-W14 PolarHBondContact O-N 3.4Å; W14-D16 VanDerWaalsContact C-N 3.26Å; W14-D16 PolarHBondContact O-N 3.19Å; W14-K17 PolarHBondContact O-N 3.21Å; W14-I18 HydrophobicContact CH2-CD1 4.16Å; W14-I18 HydrophobicContact CZ2-CD1 4.2Å; W14-I18 HydrophobicContact CZ3-CD1 4.35Å; W14-V40 HydrophobicContact CH2-CG1 4.21Å; W14-F44 HydrophobicContact CH2-CE2 4.12Å; W14-F44 AromaticContact CZ2-CE2 3.56Å; W14-F44 HydrophobicContact CZ2-CE2 3.56Å; W14-F44 AromaticContact CZ2-CZ 3.64Å; W14-F44 HydrophobicContact CZ2-CZ 3.64Å; W14-R106 HydrophobicContact CD2-CG 4.15Å; W14-R106 HydrophobicContact CE3-CB 4.4Å; W14-R106 HydrophobicContact CH2-CB 3.99Å; W14-R106 HydrophobicContact CH2-CG 4.43Å; W14-R106 HydrophobicContact CZ2-CB 4.07Å; W14-R106 HydrophobicContact CZ2-CG 4.04Å; W14-R106 HydrophobicContact CZ3-CB 4.15Å; W14-I109 HydrophobicContact CH2-CD1 4Å; W14-I109 HydrophobicContact CZ2-CD1 4.12Å
15V85.4Confident81.8Confident1 Ų181.9 Ų81.91%0.00642%0.417CS..Hα-helixtrans-69.6-23.7178.2-158.60000112.1L11 Y12 L20 K24 F31 V40 L102L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 3.3Å; Y12-V15 PolarHBondContact O-N 2.93Å; Y12-V15 VanDerWaalsContact O-N 3.14Å; V15-L20 HydrophobicContact CG1-CD1 4.04Å; V15-K24 VanDerWaalsContact C-NZ 3.31Å; V15-K24 PolarHBondContact O-NZ 3.09Å; V15-F31 HydrophobicContact CG1-CE2 4.45Å; V15-F31 HydrophobicContact CG1-CZ 3.82Å; V15-V40 HydrophobicContact CG1-CG2 4.13Å; V15-L102 HydrophobicContact CG2-CD1 4.24Å; V15-L102 HydrophobicContact CG2-CD2 4.44Å
16D84.7Confident81.8Confident108 Ų10879.4 Ų79.458%0.57840%0.404SS*.Hα-helixtrans-82.2-18.7176.4-73.2-11.9000113.7Y12 W14 I18 K24Y12-D16 WeakPolarHBondContact O-CB 3.42Å; Y12-D16 PolarHBondContact O-N 3.03Å; W14-D16 VanDerWaalsContact C-N 3.26Å; W14-D16 PolarHBondContact O-N 3.19Å; D16-I18 PolarHBondContact O-N 2.91Å; D16-K24 IonicContact OD1-NZ 3.44Å; D16-K24 PolarHBondContact OD1-NZ 3.5Å
17K85.8Confident81.9Confident157 Ų15776.2 Ų76.268%0.68338%0.375SS*.SBendtrans-70.7-15.5167.6-74.4165.8-177.7171.20113.1V13 W14V13-K17 WeakPolarHBondContact O-CG 3.38Å; V13-K17 PolarHBondContact O-N 2.79Å; W14-K17 PolarHBondContact O-N 3.21Å
18I84.7Confident82Confident10 Ų1072.4 Ų72.45%0.05136%0.357CS..SBendtrans-86.7127.8-179.6-56.9171.9000108.8W14 D16 L20 V40 H43 F44W14-I18 HydrophobicContact CH2-CD1 4.16Å; W14-I18 HydrophobicContact CZ2-CD1 4.2Å; W14-I18 HydrophobicContact CZ3-CD1 4.35Å; D16-I18 PolarHBondContact O-N 2.91Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 HydrophobicContact CB-CG 4.32Å; I18-L20 HydrophobicContact CG2-CD2 3.77Å; I18-L20 HydrophobicContact CG2-CG 4.04Å; I18-L20 PolarHBondContact O-N 3.02Å; I18-V40 HydrophobicContact CD1-CB 4.45Å; I18-V40 HydrophobicContact CD1-CG1 3.98Å; I18-V40 HydrophobicContact CD1-CG2 4.04Å; I18-H43 HydrophobicContact CG2-CB 3.86Å; I18-F44 HydrophobicContact CD1-CE2 3.64Å; I18-F44 HydrophobicContact CD1-CZ 4.03Å; I18-F44 HydrophobicContact CG1-CE2 4.26Å; I18-F44 HydrophobicContact CG1-CZ 4.25Å
19P80.3Confident82.3Confident102 Ų10278.7 Ų78.766%0.66238%0.378SS*.  trans-7286.8176.630.3-35.1000110.9
20L80.2Confident82.5Confident32 Ų3274 Ų7417%0.16836%0.357CS..  trans-91.4156.6176.3-61.1176.1000111.6V15 I18 R22 F31 L36 E39 V40V15-L20 HydrophobicContact CG1-CD1 4.04Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 HydrophobicContact CB-CG 4.32Å; I18-L20 HydrophobicContact CG2-CD2 3.77Å; I18-L20 HydrophobicContact CG2-CG 4.04Å; I18-L20 PolarHBondContact O-N 3.02Å; L20-R22 VanDerWaalsContact C-N 3.3Å; L20-R22 PolarHBondContact O-N 3.42Å; L20-F31 HydrophobicContact CD1-CZ 4.42Å; L20-L36 HydrophobicContact CB-CD2 4.3Å; L20-L36 HydrophobicContact CD1-CD2 4.39Å; L20-E39 HydrophobicContact CD2-CB 3.59Å; L20-V40 HydrophobicContact CD1-CG2 4.21Å; L20-V40 HydrophobicContact CD2-CG2 3.82Å
21S73.2Confident82.6Confident89 Ų8970.7 Ų70.762%0.62234%0.339SS*.SBendtrans-68.5-24.4-174.164.60000114.7E39S21-E39 VanDerWaalsContact CB-OE1 3.22Å; S21-E39 WeakPolarHBondContact CB-OE1 3.39Å; S21-E39 PolarHBondContact N-OE2 3.42Å; S21-E39 VanDerWaalsContact OG-CD 3.25Å; S21-E39 PolarHBondContact OG-OE1 2.86Å; S21-E39 PolarHBondContact OG-OE2 2.92Å; S21-E39 VanDerWaalsContact OG-OE2 3.12Å
22R68Low82.9Confident83 Ų8370.7 Ų70.731%0.31334%0.339SS..SBendtrans-137.3137.8-174.358-175.3-172.8-154.33.6112.5L20 K24 D30 D33 L36L20-R22 VanDerWaalsContact C-N 3.3Å; L20-R22 PolarHBondContact O-N 3.42Å; R22-K24 PolarHBondContact O-N 3.43Å; R22-D30 PolarHBondContact NH2-O 3.43Å; R22-D33 IonicContact CZ-OD2 2.95Å; R22-D33 IonicContact NH1-OD2 3.72Å; R22-D33 PolarHBondContact NH1-OD2 2.94Å; R22-D33 IonicContact NH2-OD1 3.02Å; R22-D33 PolarHBondContact NH2-OD1 2.85Å; R22-D33 IonicContact NH2-OD2 3.76Å; R22-D33 PolarHBondContact NH2-OD2 3.13Å; R22-L36 HydrophobicContact CG-CD1 4.4Å; R22-L36 HydrophobicContact CG-CD2 3.81Å; R22-L36 HydrophobicContact CG-CG 4.45Å
23I68.6Low83.1Confident163 Ų16368.2 Ų68.284%0.83633%0.33SS*.  trans-64.2126.4174-57.9172.2000108.6
24K67.4Low83.3Confident42 Ų4265.3 Ų65.318%0.18331%0.313CS..  trans-72.4138.4-180-49.9-178.7-168.777.80110.2V15 D16 R22 I27 F31V15-K24 VanDerWaalsContact C-NZ 3.31Å; V15-K24 PolarHBondContact O-NZ 3.09Å; D16-K24 IonicContact OD1-NZ 3.44Å; D16-K24 PolarHBondContact OD1-NZ 3.5Å; R22-K24 PolarHBondContact O-N 3.43Å; K24-I27 HydrophobicContact CD-CD1 3.88Å; K24-F31 HydrophobicContact CD-CE2 4.17Å
25R70.4Confident83.5Confident239 Ų23964.3 Ų64.390%0.90231%0.31SS*.SBendtrans-118.8-28.2168.2-68.8-175.8178.3175.1-0.3112.2D30R25-D30 PolarHBondContact N-OD2 2.9Å
26N84.8Confident83.7Confident83 Ų8364.2 Ų64.244%0.44431%0.309SS..  trans-150.1107177.4176.5-34.7000108.6A28 R29 D30N26-A28 VanDerWaalsContact C-N 3.31Å; N26-A28 PolarHBondContact O-N 3.22Å; N26-A28 PolarHBondContact OD1-N 3.02Å; N26-A28 VanDerWaalsContact OD1-N 3.16Å; N26-R29 HydrophobicContact CB-CB 4.08Å; N26-R29 PolarHBondContact O-N 3.06Å; N26-R29 PolarHBondContact OD1-N 3.06Å; N26-R29 VanDerWaalsContact OD1-N 3.07Å; N26-D30 PolarHBondContact N-OD2 3.11Å; N26-D30 VanDerWaalsContact O-CB 3.29Å; N26-D30 WeakPolarHBondContact O-CB 3.3Å; N26-D30 PolarHBondContact O-N 3.15Å
27I88.1Confident84.1Confident15 Ų1559.1 Ų59.18%0.07728%0.282CS..Hα-helixtrans-53.3-45.3-174.6-166.775000112.6Y12 K24 F31 I98 L102Y12-I27 HydrophobicContact CE1-CB 3.96Å; Y12-I27 HydrophobicContact CE1-CD1 4.41Å; Y12-I27 HydrophobicContact CE1-CG1 4.01Å; Y12-I27 HydrophobicContact CE1-CG2 3.84Å; K24-I27 HydrophobicContact CD-CD1 3.88Å; I27-F31 HydrophobicContact CD1-CD2 3.56Å; I27-F31 HydrophobicContact CD1-CE2 3.38Å; I27-F31 HydrophobicContact CD1-CZ 4.22Å; I27-F31 HydrophobicContact CG1-CD2 4.12Å; I27-F31 HydrophobicContact CG1-CE2 4.41Å; I27-F31 WeakPolarHBondContact O-CB 3.5Å; I27-F31 WeakPolarHBondContact O-CD2 3.48Å; I27-F31 PolarHBondContact O-N 2.82Å; I27-I98 HydrophobicContact CG1-CG2 4.16Å; I27-I98 HydrophobicContact CG2-CG2 4.08Å; I27-L102 HydrophobicContact CD1-CD1 4.07Å; I27-L102 HydrophobicContact CG1-CD1 4.12Å
28A89.5Confident84.4Confident9 Ų951.6 Ų51.67%0.07425%0.249CC..Hα-helixtrans-66.2-42.6-176.500000111.4N26 S32 A93 I98N26-A28 VanDerWaalsContact C-N 3.31Å; N26-A28 PolarHBondContact O-N 3.22Å; N26-A28 PolarHBondContact OD1-N 3.02Å; N26-A28 VanDerWaalsContact OD1-N 3.16Å; A28-S32 WeakPolarHBondContact O-CB 3.32Å; A28-S32 PolarHBondContact O-N 3.1Å; A28-A93 HydrophobicContact CB-CB 4.42Å; A28-A93 WeakPolarHBondContact O-CB 3.39Å; A28-I98 HydrophobicContact CB-CG2 4.18Å
29R90.5Very high84.7Confident170 Ų17052.8 Ų52.864%0.64226%0.255SS*.Hα-helixtrans-71.1-47.8177.1-175174.7179.7-94.14.2111.8N26 F31 S32N26-R29 HydrophobicContact CB-CB 4.08Å; N26-R29 PolarHBondContact O-N 3.06Å; N26-R29 PolarHBondContact OD1-N 3.06Å; N26-R29 VanDerWaalsContact OD1-N 3.07Å; R29-F31 VanDerWaalsContact C-N 3.3Å; R29-F31 PolarHBondContact O-N 2.88Å; R29-S32 WeakPolarHBondContact O-CB 3.38Å; R29-S32 PolarHBondContact O-N 3.16Å; R29-S32 VanDerWaalsContact O-N 3.14Å; R29-S32 PolarHBondContact O-OG 3.43Å
30D90.3Very high85.2Confident21 Ų2147.9 Ų47.911%0.11222%0.223CC..Hα-helixtrans-72.6-23-170.7-61.3-26.2000112.4R22 R25 N26 L36R22-D30 PolarHBondContact NH2-O 3.43Å; R25-D30 PolarHBondContact N-OD2 2.9Å; N26-D30 PolarHBondContact N-OD2 3.11Å; N26-D30 VanDerWaalsContact O-CB 3.29Å; N26-D30 WeakPolarHBondContact O-CB 3.3Å; N26-D30 PolarHBondContact O-N 3.15Å; D30-L36 HydrophobicContact CB-CD1 3.81Å; D30-L36 VanDerWaalsContact O-CD1 3.31Å; D30-L36 WeakPolarHBondContact O-CD1 3.46Å; D30-L36 WeakPolarHBondContact O-CG 3.34Å
31F92.3Very high85.7Confident1 Ų146.4 Ų46.40%0.00422%0.215CC..Hα-helixtrans-93.4-11.4170.9-81.7-107.5000114.1V15 L20 K24 I27 R29 D33 G34 L36 M37 V40 W67 I98 L102V15-F31 HydrophobicContact CG1-CE2 4.45Å; V15-F31 HydrophobicContact CG1-CZ 3.82Å; L20-F31 HydrophobicContact CD1-CZ 4.42Å; K24-F31 HydrophobicContact CD-CE2 4.17Å; I27-F31 HydrophobicContact CD1-CD2 3.56Å; I27-F31 HydrophobicContact CD1-CE2 3.38Å; I27-F31 HydrophobicContact CD1-CZ 4.22Å; I27-F31 HydrophobicContact CG1-CD2 4.12Å; I27-F31 HydrophobicContact CG1-CE2 4.41Å; I27-F31 WeakPolarHBondContact O-CB 3.5Å; I27-F31 WeakPolarHBondContact O-CD2 3.48Å; I27-F31 PolarHBondContact O-N 2.82Å; R29-F31 VanDerWaalsContact C-N 3.3Å; R29-F31 PolarHBondContact O-N 2.88Å; F31-D33 PolarHBondContact O-N 3.12Å; F31-D33 VanDerWaalsContact O-N 3.08Å; F31-G34 PolarHBondContact O-N 3.06Å; F31-L36 HydrophobicContact CD1-CB 3.95Å; F31-L36 HydrophobicContact CD2-CB 3.98Å; F31-L36 HydrophobicContact CD2-CD1 3.76Å; F31-L36 HydrophobicContact CE1-CB 3.81Å; F31-L36 HydrophobicContact CE2-CB 3.82Å; F31-L36 HydrophobicContact CE2-CD1 3.57Å; F31-L36 HydrophobicContact CE2-CG 4.35Å; F31-L36 HydrophobicContact CG-CB 4.03Å; F31-L36 HydrophobicContact CZ-CB 3.73Å; F31-L36 HydrophobicContact CZ-CD1 4.25Å; F31-M37 HydrophobicContact CD1-CB 4.11Å; F31-M37 HydrophobicContact CD1-CE 4.2Å; F31-M37 HydrophobicContact CD1-SD 4.49Å; F31-M37 HydrophobicContact CE1-CB 4.4Å; F31-M37 HydrophobicContact CE1-CE 4.5Å; F31-M37 HydrophobicContact CE1-SD 4.36Å; F31-V40 HydrophobicContact CE1-CG2 4.08Å; F31-V40 HydrophobicContact CZ-CG2 4.11Å; F31-W67 VanDerWaalsContact O-CZ2 3.28Å; F31-W67 WeakPolarHBondContact O-CZ2 3.3Å; F31-I98 HydrophobicContact CB-CD1 3.69Å; F31-I98 HydrophobicContact CB-CG1 3.74Å; F31-I98 HydrophobicContact CD1-CD1 3.94Å; F31-I98 HydrophobicContact CD1-CG1 4.33Å; F31-I98 HydrophobicContact CG-CD1 4.06Å; F31-I98 HydrophobicContact CG-CG1 4.06Å; F31-L102 HydrophobicContact CD1-CD2 4.49Å; F31-L102 HydrophobicContact CE1-CD2 3.97Å
32S93.3Very high86.4Confident5 Ų546.3 Ų46.34%0.03520%0.204CC..THydrogen-bonded Turntrans-59.6-25.8-173.565.30000114.4A28 R29 G34 K63 W67 L90A28-S32 WeakPolarHBondContact O-CB 3.32Å; A28-S32 PolarHBondContact O-N 3.1Å; R29-S32 WeakPolarHBondContact O-CB 3.38Å; R29-S32 PolarHBondContact O-N 3.16Å; R29-S32 VanDerWaalsContact O-N 3.14Å; R29-S32 PolarHBondContact O-OG 3.43Å; S32-G34 VanDerWaalsContact C-N 3.31Å; S32-K63 WeakPolarHBondContact O-CD 3.31Å; S32-K63 PolarHBondContact OG-NZ 3.09Å; S32-W67 PolarHBondContact O-NE1 2.91Å; S32-L90 WeakPolarHBondContact CA-O 3.34Å; S32-L90 WeakPolarHBondContact CB-O 3.44Å
33D92.2Very high87.4Confident12 Ų1246.7 Ų46.76%0.06421%0.209CC..THydrogen-bonded Turntrans-80.9-5.3176.8667.5000114.6R22 F31 V35 N66R22-D33 IonicContact CZ-OD2 2.95Å; R22-D33 IonicContact NH1-OD2 3.72Å; R22-D33 PolarHBondContact NH1-OD2 2.94Å; R22-D33 IonicContact NH2-OD1 3.02Å; R22-D33 PolarHBondContact NH2-OD1 2.85Å; R22-D33 IonicContact NH2-OD2 3.76Å; R22-D33 PolarHBondContact NH2-OD2 3.13Å; F31-D33 PolarHBondContact O-N 3.12Å; F31-D33 VanDerWaalsContact O-N 3.08Å; D33-V35 HydrophobicContact CB-CG2 4.21Å; D33-V35 PolarHBondContact O-N 3.18Å; D33-V35 PolarHBondContact OD1-N 3Å; D33-N66 WeakPolarHBondContact O-CB 3.42Å; D33-N66 PolarHBondContact O-ND2 2.86Å
34G91.8Very high88.2Confident0 Ų041.6 Ų41.60%018%0.181CC..SBendtrans73-8.3-176.800000114.7F31 S32 M37 A38F31-G34 PolarHBondContact O-N 3.06Å; S32-G34 VanDerWaalsContact C-N 3.31Å; G34-M37 WeakPolarHBondContact O-CB 3.37Å; G34-M37 PolarHBondContact O-N 3.36Å; G34-A38 PolarHBondContact O-N 3.3Å
35V92.1Very high89.1Confident8 Ų840.1 Ų40.15%0.04817%0.174CC..Hα-helixtrans-72.8-43.9-172.5-174.40000111D33 M37 A38 E39 V51 F54 T56D33-V35 HydrophobicContact CB-CG2 4.21Å; D33-V35 PolarHBondContact O-N 3.18Å; D33-V35 PolarHBondContact OD1-N 3Å; V35-M37 PolarHBondContact O-N 2.82Å; V35-A38 WeakPolarHBondContact O-CB 3.46Å; V35-A38 PolarHBondContact O-N 2.93Å; V35-A38 VanDerWaalsContact O-N 3.12Å; V35-E39 PolarHBondContact O-N 3.17Å; V35-V51 HydrophobicContact CG1-CG1 4.47Å; V35-F54 HydrophobicContact CG2-CB 4.34Å; V35-F54 VanDerWaalsContact CG2-O 3.25Å; V35-F54 WeakPolarHBondContact CG2-O 3.39Å; V35-T56 HydrophobicContact CB-CG2 4.39Å; V35-T56 HydrophobicContact CG1-CG2 4.25Å; V35-T56 HydrophobicContact CG2-CG2 4.04Å
36L90.9Very high89.8Confident0 Ų033.1 Ų33.10%016%0.16CC..Hα-helixtrans-62.5-32.5172.3-77.2-170.8000112.6L20 R22 D30 F31 E39 V40L20-L36 HydrophobicContact CB-CD2 4.3Å; L20-L36 HydrophobicContact CD1-CD2 4.39Å; R22-L36 HydrophobicContact CG-CD1 4.4Å; R22-L36 HydrophobicContact CG-CD2 3.81Å; R22-L36 HydrophobicContact CG-CG 4.45Å; D30-L36 HydrophobicContact CB-CD1 3.81Å; D30-L36 VanDerWaalsContact O-CD1 3.31Å; D30-L36 WeakPolarHBondContact O-CD1 3.46Å; D30-L36 WeakPolarHBondContact O-CG 3.34Å; F31-L36 HydrophobicContact CD1-CB 3.95Å; F31-L36 HydrophobicContact CD2-CB 3.98Å; F31-L36 HydrophobicContact CD2-CD1 3.76Å; F31-L36 HydrophobicContact CE1-CB 3.81Å; F31-L36 HydrophobicContact CE2-CB 3.82Å; F31-L36 HydrophobicContact CE2-CD1 3.57Å; F31-L36 HydrophobicContact CE2-CG 4.35Å; F31-L36 HydrophobicContact CG-CB 4.03Å; F31-L36 HydrophobicContact CZ-CB 3.73Å; F31-L36 HydrophobicContact CZ-CD1 4.25Å; L36-E39 PolarHBondContact O-N 2.95Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.24Å
37M92Very high89.7Confident0 Ų035.5 Ų35.50%017%0.166CC..Hα-helixtrans-68.7-37.9174.6-168.864.487.200111.4F31 G34 V35 V40 M41 W67 L70 F75 I98 V101 L102 L105F31-M37 HydrophobicContact CD1-CB 4.11Å; F31-M37 HydrophobicContact CD1-CE 4.2Å; F31-M37 HydrophobicContact CD1-SD 4.49Å; F31-M37 HydrophobicContact CE1-CB 4.4Å; F31-M37 HydrophobicContact CE1-CE 4.5Å; F31-M37 HydrophobicContact CE1-SD 4.36Å; G34-M37 WeakPolarHBondContact O-CB 3.37Å; G34-M37 PolarHBondContact O-N 3.36Å; V35-M37 PolarHBondContact O-N 2.82Å; M37-V40 PolarHBondContact O-N 2.94Å; M37-M41 WeakPolarHBondContact O-CB 3.31Å; M37-M41 WeakPolarHBondContact O-CG 3.38Å; M37-M41 PolarHBondContact O-N 2.85Å; M37-W67 HydrophobicContact CB-CH2 3.95Å; M37-W67 HydrophobicContact CB-CZ3 4.29Å; M37-W67 HydrophobicContact CE-CH2 3.81Å; M37-W67 HydrophobicContact CE-CZ3 4.26Å; M37-W67 HydrophobicContact CG-CH2 4.01Å; M37-W67 HydrophobicContact CG-CZ3 4.03Å; M37-L70 HydrophobicContact CB-CD2 3.87Å; M37-L70 HydrophobicContact CG-CD2 3.53Å; M37-F75 HydrophobicContact CG-CE1 4.46Å; M37-F75 HydrophobicContact CG-CZ 3.95Å; M37-I98 HydrophobicContact CE-CD1 3.66Å; M37-V101 HydrophobicContact CE-CG1 4Å; M37-L102 HydrophobicContact CE-CD2 3.62Å; M37-L102 HydrophobicContact CE-CG 4Å; M37-L102 HydrophobicContact SD-CD2 3.92Å; M37-L105 HydrophobicContact CE-CD2 4.16Å; M37-L105 HydrophobicContact SD-CD2 3.32Å; M37-L105 WeakPolarHBondContact SD-CD2 3.27Å
38A92.8Very high89.5Confident0 Ų035.7 Ų35.70%017%0.166CC..Hα-helixtrans-63-39.4172.600000112G34 V35 M41 K42 V49 V51 F54 L70G34-A38 PolarHBondContact O-N 3.3Å; V35-A38 WeakPolarHBondContact O-CB 3.46Å; V35-A38 PolarHBondContact O-N 2.93Å; V35-A38 VanDerWaalsContact O-N 3.12Å; A38-M41 PolarHBondContact O-N 3.25Å; A38-K42 VanDerWaalsContact O-CB 3.32Å; A38-K42 WeakPolarHBondContact O-CB 3.43Å; A38-K42 PolarHBondContact O-N 3.05Å; A38-V49 HydrophobicContact CB-CG1 3.72Å; A38-V49 WeakPolarHBondContact O-CG1 3.43Å; A38-V51 HydrophobicContact CB-CG2 4.26Å; A38-F54 HydrophobicContact CB-CB 4.31Å; A38-F54 HydrophobicContact CB-CD2 3.77Å; A38-F54 HydrophobicContact CB-CE2 4.25Å; A38-F54 HydrophobicContact CB-CG 3.99Å; A38-L70 HydrophobicContact CB-CD1 4.14Å
39E91.3Very high89.3Confident34 Ų3435.5 Ų35.516%0.15916%0.164CC..Hα-helixtrans-64.6-47.9173.6-71.2-179.1-167.300112.7L20 S21 V35 L36 M41 K42 H43 V51L20-E39 HydrophobicContact CD2-CB 3.59Å; S21-E39 VanDerWaalsContact CB-OE1 3.22Å; S21-E39 WeakPolarHBondContact CB-OE1 3.39Å; S21-E39 PolarHBondContact N-OE2 3.42Å; S21-E39 VanDerWaalsContact OG-CD 3.25Å; S21-E39 PolarHBondContact OG-OE1 2.86Å; S21-E39 PolarHBondContact OG-OE2 2.92Å; S21-E39 VanDerWaalsContact OG-OE2 3.12Å; V35-E39 PolarHBondContact O-N 3.17Å; L36-E39 PolarHBondContact O-N 2.95Å; E39-M41 VanDerWaalsContact C-N 3.26Å; E39-M41 PolarHBondContact O-N 3.42Å; E39-K42 PolarHBondContact O-N 3.04Å; E39-K42 VanDerWaalsContact O-N 3.14Å; E39-H43 PolarHBondContact O-N 3.45Å; E39-V51 HydrophobicContact CG-CG1 4.39Å; E39-V51 HydrophobicContact CG-CG2 4.17Å
40V90.1Very high89.2Confident0 Ų030.9 Ų30.90%015%0.152CC..Hα-helixtrans-52.4-47.4173.2165.20000110.4W14 V15 I18 L20 F31 L36 M37 H43 F44W14-V40 HydrophobicContact CH2-CG1 4.21Å; V15-V40 HydrophobicContact CG1-CG2 4.13Å; I18-V40 HydrophobicContact CD1-CB 4.45Å; I18-V40 HydrophobicContact CD1-CG1 3.98Å; I18-V40 HydrophobicContact CD1-CG2 4.04Å; L20-V40 HydrophobicContact CD1-CG2 4.21Å; L20-V40 HydrophobicContact CD2-CG2 3.82Å; F31-V40 HydrophobicContact CE1-CG2 4.08Å; F31-V40 HydrophobicContact CZ-CG2 4.11Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.24Å; M37-V40 PolarHBondContact O-N 2.94Å; V40-H43 WeakPolarHBondContact O-CB 3.3Å; V40-H43 PolarHBondContact O-N 3.39Å; V40-F44 HydrophobicContact CG1-CE2 4.37Å; V40-F44 VanDerWaalsContact O-CD2 3.27Å; V40-F44 WeakPolarHBondContact O-CD2 3.35Å
41M89.4Confident89.2Confident0 Ų031.5 Ų31.50%016%0.157CC..Hα-helixtrans-69.7-34.5179.8-74.7-56-51.300113.6M37 A38 E39 H43 F45 V49 V74 F75 L78 L105 I109M37-M41 WeakPolarHBondContact O-CB 3.31Å; M37-M41 WeakPolarHBondContact O-CG 3.38Å; M37-M41 PolarHBondContact O-N 2.85Å; A38-M41 PolarHBondContact O-N 3.25Å; E39-M41 VanDerWaalsContact C-N 3.26Å; E39-M41 PolarHBondContact O-N 3.42Å; M41-H43 VanDerWaalsContact C-N 3.32Å; M41-F45 HydrophobicContact CE-CD2 3.56Å; M41-F45 HydrophobicContact CE-CE2 4.07Å; M41-F45 CarbonylContact O-C 3.55Å; M41-F45 WeakPolarHBondContact O-CA 3.47Å; M41-F45 PolarHBondContact O-N 3.39Å; M41-V49 HydrophobicContact CB-CB 4.45Å; M41-V49 HydrophobicContact CB-CG2 3.49Å; M41-V49 VanDerWaalsContact CB-CG2 3.49Å; M41-V74 HydrophobicContact CB-CG1 4.15Å; M41-V74 HydrophobicContact CE-CG1 3.76Å; M41-V74 HydrophobicContact CG-CG1 4.07Å; M41-F75 HydrophobicContact CG-CE1 4.31Å; M41-L78 HydrophobicContact CE-CD1 3.66Å; M41-L78 HydrophobicContact CE-CD2 4.16Å; M41-L78 HydrophobicContact CE-CG 4.39Å; M41-L78 HydrophobicContact SD-CD1 4.22Å; M41-L105 HydrophobicContact CG-CD2 4.34Å; M41-L105 HydrophobicContact SD-CD1 3.74Å; M41-L105 HydrophobicContact SD-CD2 3.78Å; M41-L105 HydrophobicContact SD-CG 4.05Å; M41-I109 HydrophobicContact SD-CD1 4.16Å; M41-I109 HydrophobicContact SD-CG1 4.46Å
42K89.5Confident88.9Confident88 Ų8838 Ų3838%0.38319%0.187SC..Hα-helixtrans-66.5-32.2174.5-178.3170.2175.5174.30112.2A38 E39 F45 P46 V49 V51A38-K42 VanDerWaalsContact O-CB 3.32Å; A38-K42 WeakPolarHBondContact O-CB 3.43Å; A38-K42 PolarHBondContact O-N 3.05Å; E39-K42 PolarHBondContact O-N 3.04Å; E39-K42 VanDerWaalsContact O-N 3.14Å; K42-F45 CarbonylContact O-C 3.55Å; K42-P46 VanDerWaalsContact O-CA 3.31Å; K42-P46 WeakPolarHBondContact O-CA 3.44Å; K42-P46 VanDerWaalsContact O-CD 3.31Å; K42-P46 WeakPolarHBondContact O-CD 3.43Å; K42-P46 VanDerWaalsContact O-CG 3.31Å; K42-P46 WeakPolarHBondContact O-CG 3.34Å; K42-P46 VanDerWaalsContact O-N 3.14Å; K42-V49 HydrophobicContact CB-CB 4.27Å; K42-V51 HydrophobicContact CB-CG2 4.19Å; K42-V51 HydrophobicContact CD-CB 4.38Å; K42-V51 HydrophobicContact CD-CG2 3.59Å
43H88.4Confident88.7Confident91 Ų9140.2 Ų40.242%0.42120%0.198SC..Hα-helixtrans-62.4-48.8176.3178.7-100.4000112.2I18 E39 V40 M41I18-H43 HydrophobicContact CG2-CB 3.86Å; E39-H43 PolarHBondContact O-N 3.45Å; V40-H43 WeakPolarHBondContact O-CB 3.3Å; V40-H43 PolarHBondContact O-N 3.39Å; M41-H43 VanDerWaalsContact C-N 3.32Å
44F86.4Confident88.7Confident56 Ų5639.9 Ų39.925%0.24620%0.196CC..Hα-helixtrans-80.4-33.4179.3-62.8-73.3000113.3W14 I18 V40 I109W14-F44 HydrophobicContact CH2-CE2 4.12Å; W14-F44 AromaticContact CZ2-CE2 3.56Å; W14-F44 HydrophobicContact CZ2-CE2 3.56Å; W14-F44 AromaticContact CZ2-CZ 3.64Å; W14-F44 HydrophobicContact CZ2-CZ 3.64Å; I18-F44 HydrophobicContact CD1-CE2 3.64Å; I18-F44 HydrophobicContact CD1-CZ 4.03Å; I18-F44 HydrophobicContact CG1-CE2 4.26Å; I18-F44 HydrophobicContact CG1-CZ 4.25Å; V40-F44 HydrophobicContact CG1-CE2 4.37Å; V40-F44 VanDerWaalsContact O-CD2 3.27Å; V40-F44 WeakPolarHBondContact O-CD2 3.35Å; F44-I109 HydrophobicContact CB-CG2 3.99Å; F44-I109 HydrophobicContact CD1-CG2 3.69Å; F44-I109 HydrophobicContact CD2-CD1 3.78Å; F44-I109 HydrophobicContact CD2-CG1 4.48Å; F44-I109 HydrophobicContact CD2-CG2 3.96Å; F44-I109 HydrophobicContact CE1-CG2 4.13Å; F44-I109 HydrophobicContact CE2-CD1 4.08Å; F44-I109 HydrophobicContact CE2-CG2 4.38Å; F44-I109 HydrophobicContact CG-CD1 4.44Å; F44-I109 HydrophobicContact CG-CG2 3.59Å; F44-I109 HydrophobicContact CZ-CG2 4.46Å
45F86.1Confident88.6Confident11 Ų1143.9 Ų43.95%0.04822%0.222CC..  trans-135.977.2-177.7-54.4-77.2000112.4M41 K42 K47 F48 L78 I109 M112 Y121M41-F45 HydrophobicContact CE-CD2 3.56Å; M41-F45 HydrophobicContact CE-CE2 4.07Å; M41-F45 CarbonylContact O-C 3.55Å; M41-F45 WeakPolarHBondContact O-CA 3.47Å; M41-F45 PolarHBondContact O-N 3.39Å; K42-F45 CarbonylContact O-C 3.55Å; F45-K47 PolarHBondContact O-N 3.34Å; F45-F48 HydrophobicContact CB-CB 4.23Å; F45-F48 HydrophobicContact CB-CD2 3.38Å; F45-F48 HydrophobicContact CB-CE2 4.12Å; F45-F48 HydrophobicContact CB-CG 4.14Å; F45-F48 HydrophobicContact CD1-CD2 4.06Å; F45-F48 AromaticContact CD1-CE2 3.91Å; F45-F48 HydrophobicContact CD1-CE2 3.91Å; F45-F48 HydrophobicContact CD2-CD2 4.24Å; F45-F48 HydrophobicContact CE1-CE2 4.47Å; F45-F48 AromaticContact CG-CD2 3.65Å; F45-F48 HydrophobicContact CG-CD2 3.65Å; F45-F48 AromaticContact CG-CE2 3.96Å; F45-F48 HydrophobicContact CG-CE2 3.96Å; F45-F48 PolarHBondContact O-N 2.92Å; F45-L78 HydrophobicContact CD2-CD2 4.43Å; F45-L78 HydrophobicContact CE2-CD2 4.03Å; F45-L78 HydrophobicContact CZ-CD2 4.45Å; F45-I109 HydrophobicContact CE2-CG1 4.12Å; F45-I109 HydrophobicContact CE2-CG2 4.41Å; F45-M112 HydrophobicContact CE1-CB 4.42Å; F45-M112 HydrophobicContact CZ-CB 3.88Å; F45-Y121 WeakPolarHBondContact CD1-OH 3.48Å
46P85.2Confident88.6Confident92 Ų9248 Ų4860%0.59725%0.248SC*.THydrogen-bonded Turntrans-55.9-21.7-179-26.132.7000115.1K42K42-P46 VanDerWaalsContact O-CA 3.31Å; K42-P46 WeakPolarHBondContact O-CA 3.44Å; K42-P46 VanDerWaalsContact O-CD 3.31Å; K42-P46 WeakPolarHBondContact O-CD 3.43Å; K42-P46 VanDerWaalsContact O-CG 3.31Å; K42-P46 WeakPolarHBondContact O-CG 3.34Å; K42-P46 VanDerWaalsContact O-N 3.14Å
47K82.7Confident88.6Confident132 Ų13248.9 Ų48.957%0.57425%0.254SS*.THydrogen-bonded Turntrans-83.4-20179.9-62.8-174.2177.4-172.70114.9F45 Y121F45-K47 PolarHBondContact O-N 3.34Å; K47-Y121 HydrophobicContact CB-CD2 4.43Å; K47-Y121 HydrophobicContact CB-CE2 4.24Å; K47-Y121 HydrophobicContact CD-CD2 4.39Å; K47-Y121 HydrophobicContact CD-CE2 4.31Å
48F82.5Confident88.6Confident20 Ų2056.4 Ų56.49%0.08829%0.294CS..THydrogen-bonded Turntrans-91.6-28.3-176.9-72.1-40.5000113.3F45 K77 L78 Y121F45-F48 HydrophobicContact CB-CB 4.23Å; F45-F48 HydrophobicContact CB-CD2 3.38Å; F45-F48 HydrophobicContact CB-CE2 4.12Å; F45-F48 HydrophobicContact CB-CG 4.14Å; F45-F48 HydrophobicContact CD1-CD2 4.06Å; F45-F48 AromaticContact CD1-CE2 3.91Å; F45-F48 HydrophobicContact CD1-CE2 3.91Å; F45-F48 HydrophobicContact CD2-CD2 4.24Å; F45-F48 HydrophobicContact CE1-CE2 4.47Å; F45-F48 AromaticContact CG-CD2 3.65Å; F45-F48 HydrophobicContact CG-CD2 3.65Å; F45-F48 AromaticContact CG-CE2 3.96Å; F45-F48 HydrophobicContact CG-CE2 3.96Å; F45-F48 PolarHBondContact O-N 2.92Å; F48-K77 HydrophobicContact CD1-CB 4.12Å; F48-K77 HydrophobicContact CD1-CD 4.38Å; F48-K77 HydrophobicContact CD1-CG 3.89Å; F48-K77 HydrophobicContact CE1-CB 3.78Å; F48-K77 HydrophobicContact CE1-CD 3.93Å; F48-K77 HydrophobicContact CE1-CG 3.78Å; F48-K77 HydrophobicContact CE2-CB 4.22Å; F48-K77 HydrophobicContact CG-CB 4.47Å; F48-K77 HydrophobicContact CZ-CB 3.82Å; F48-K77 HydrophobicContact CZ-CG 4.35Å; F48-L78 HydrophobicContact CE2-CD2 4.33Å; F48-Y121 HydrophobicContact CD1-CD2 4.08Å; F48-Y121 HydrophobicContact CD1-CE2 4.06Å; F48-Y121 HydrophobicContact CD2-CE2 4.42Å; F48-Y121 AromaticContact CE1-CD1 3.97Å; F48-Y121 HydrophobicContact CE1-CD1 3.97Å; F48-Y121 AromaticContact CE1-CD2 3.37Å; F48-Y121 HydrophobicContact CE1-CD2 3.37Å; F48-Y121 HydrophobicContact CE1-CE1 4.04Å; F48-Y121 AromaticContact CE1-CE2 3.43Å; F48-Y121 HydrophobicContact CE1-CE2 3.43Å; F48-Y121 VanDerWaalsContact CE1-CE2 3.43Å; F48-Y121 AromaticContact CE1-CG 3.62Å; F48-Y121 HydrophobicContact CE1-CG 3.62Å; F48-Y121 AromaticContact CE1-CZ 3.75Å; F48-Y121 HydrophobicContact CE2-CE1 4.1Å; F48-Y121 AromaticContact CE2-CE2 3.83Å; F48-Y121 HydrophobicContact CE2-CE2 3.83Å; F48-Y121 AromaticContact CE2-CZ 3.53Å; F48-Y121 WeakPolarHBondContact CE2-OH 3.5Å; F48-Y121 AromaticContact CZ-CD1 3.7Å; F48-Y121 HydrophobicContact CZ-CD1 3.7Å; F48-Y121 AromaticContact CZ-CD2 3.68Å; F48-Y121 HydrophobicContact CZ-CD2 3.68Å; F48-Y121 AromaticContact CZ-CE1 3.35Å; F48-Y121 HydrophobicContact CZ-CE1 3.35Å; F48-Y121 AromaticContact CZ-CE2 3.31Å; F48-Y121 HydrophobicContact CZ-CE2 3.31Å; F48-Y121 AromaticContact CZ-CG 3.83Å; F48-Y121 HydrophobicContact CZ-CG 3.83Å; F48-Y121 AromaticContact CZ-CZ 3.1Å; F48-Y121 WeakPolarHBondContact CZ-OH 3.31Å
49V86.6Confident88.6Confident4 Ų459.6 Ų59.62%0.02432%0.316CS..  trans-127.5117.2-170.1-164.90000110.5A38 M41 K42 F54 V74A38-V49 HydrophobicContact CB-CG1 3.72Å; A38-V49 WeakPolarHBondContact O-CG1 3.43Å; M41-V49 HydrophobicContact CB-CB 4.45Å; M41-V49 HydrophobicContact CB-CG2 3.49Å; M41-V49 VanDerWaalsContact CB-CG2 3.49Å; K42-V49 HydrophobicContact CB-CB 4.27Å; V49-F54 HydrophobicContact CG1-CD2 4.35Å; V49-F54 HydrophobicContact CG1-CE2 3.86Å; V49-V74 HydrophobicContact CB-CG2 4.4Å; V49-V74 HydrophobicContact CG1-CG2 4.34Å; V49-V74 HydrophobicContact CG2-CB 4.16Å; V49-V74 HydrophobicContact CG2-CG1 3.47Å; V49-V74 VanDerWaalsContact CG2-CG1 3.47Å; V49-V74 HydrophobicContact CG2-CG2 3.54Å
50D88.1Confident88.8Confident74 Ų7462.4 Ų62.440%0.39633%0.331SS..  trans-106.4108.8165.8-160.7-19.7000109.9H52 N53D50-H52 PolarHBondContact O-N 2.96Å; D50-H52 IonicContact OD1-CE1 2.7Å; D50-H52 IonicContact OD1-CG 3.44Å; D50-H52 PolarHBondContact OD1-N 3.33Å; D50-H52 IonicContact OD1-ND1 3.51Å; D50-H52 PolarHBondContact OD1-ND1 3.29Å; D50-H52 IonicContact OD2-CE1 2.63Å; D50-H52 PolarHBondContact OD2-CE1 2.96Å; D50-H52 IonicContact OD2-ND1 3.54Å; D50-H52 PolarHBondContact OD2-ND1 3.07Å; D50-N53 WeakPolarHBondContact O-CB 3.5Å; D50-N53 PolarHBondContact O-N 2.96Å; D50-N53 VanDerWaalsContact O-N 3.1Å; D50-N53 PolarHBondContact O-ND2 2.81Å; D50-N53 VanDerWaalsContact O-ND2 3.08Å
51V88.7Confident88.9Confident33 Ų3367 Ų6720%0.235%0.352CS..G310 helixtrans-59.8-24.5-172.5170.30000112.4V35 A38 E39 K42 N53 F54V35-V51 HydrophobicContact CG1-CG1 4.47Å; A38-V51 HydrophobicContact CB-CG2 4.26Å; E39-V51 HydrophobicContact CG-CG1 4.39Å; E39-V51 HydrophobicContact CG-CG2 4.17Å; K42-V51 HydrophobicContact CB-CG2 4.19Å; K42-V51 HydrophobicContact CD-CB 4.38Å; K42-V51 HydrophobicContact CD-CG2 3.59Å; V51-N53 PolarHBondContact O-N 3.11Å; V51-N53 VanDerWaalsContact O-N 3.13Å; V51-F54 PolarHBondContact O-N 3.05Å
52H87.5Confident89.2Confident137 Ų13769.3 Ų69.363%0.63437%0.369SS*.G310 helixtrans-63.6-19.4176.779.7-103.1000113.5D50 F54D50-H52 PolarHBondContact O-N 2.96Å; D50-H52 IonicContact OD1-CE1 2.7Å; D50-H52 IonicContact OD1-CG 3.44Å; D50-H52 PolarHBondContact OD1-N 3.33Å; D50-H52 IonicContact OD1-ND1 3.51Å; D50-H52 PolarHBondContact OD1-ND1 3.29Å; D50-H52 IonicContact OD2-CE1 2.63Å; D50-H52 PolarHBondContact OD2-CE1 2.96Å; D50-H52 IonicContact OD2-ND1 3.54Å; D50-H52 PolarHBondContact OD2-ND1 3.07Å; H52-F54 VanDerWaalsContact C-N 3.25Å; H52-F54 PolarHBondContact O-N 2.98Å
53N89.5Confident89.4Confident53 Ų5366.4 Ų66.428%0.28336%0.356SS..G310 helixtrans-77-9.3174.7-65.3-72.7000113.6D50 V51 P55 L69D50-N53 WeakPolarHBondContact O-CB 3.5Å; D50-N53 PolarHBondContact O-N 2.96Å; D50-N53 VanDerWaalsContact O-N 3.1Å; D50-N53 PolarHBondContact O-ND2 2.81Å; D50-N53 VanDerWaalsContact O-ND2 3.08Å; V51-N53 PolarHBondContact O-N 3.11Å; V51-N53 VanDerWaalsContact O-N 3.13Å; N53-P55 VanDerWaalsContact C-CD 3.5Å; N53-P55 VanDerWaalsContact O-CD 3.25Å; N53-P55 WeakPolarHBondContact O-CD 3.5Å; N53-L69 HydrophobicContact CB-CD2 4.4Å
54F90.8Very high89.7Confident5 Ų565.6 Ų65.62%0.02235%0.349CS..SBendtrans-118.178.6-174.5-60.1-83.1000109.6V35 A38 V49 V51 H52 N66 L69 L70V35-F54 HydrophobicContact CG2-CB 4.34Å; V35-F54 VanDerWaalsContact CG2-O 3.25Å; V35-F54 WeakPolarHBondContact CG2-O 3.39Å; A38-F54 HydrophobicContact CB-CB 4.31Å; A38-F54 HydrophobicContact CB-CD2 3.77Å; A38-F54 HydrophobicContact CB-CE2 4.25Å; A38-F54 HydrophobicContact CB-CG 3.99Å; V49-F54 HydrophobicContact CG1-CD2 4.35Å; V49-F54 HydrophobicContact CG1-CE2 3.86Å; V51-F54 PolarHBondContact O-N 3.05Å; H52-F54 VanDerWaalsContact C-N 3.25Å; H52-F54 PolarHBondContact O-N 2.98Å; F54-N66 HydrophobicContact CD1-CB 4.45Å; F54-L69 HydrophobicContact CD1-CD2 4.32Å; F54-L69 HydrophobicContact CE1-CB 4.05Å; F54-L69 HydrophobicContact CE1-CD2 3.8Å; F54-L69 HydrophobicContact CE1-CG 3.79Å; F54-L69 HydrophobicContact CZ-CD2 4.09Å; F54-L69 HydrophobicContact CZ-CG 3.99Å; F54-L70 HydrophobicContact CE1-CB 3.88Å; F54-L70 HydrophobicContact CE1-CD1 3.94Å; F54-L70 HydrophobicContact CE2-CD1 4.36Å; F54-L70 HydrophobicContact CZ-CB 4.32Å; F54-L70 HydrophobicContact CZ-CD1 3.79Å
55P90.9Very high90.1Very high84 Ų8468.3 Ų68.355%0.54536%0.361SS..  trans-66.7140176.728.4-34.3000110.6N53 C57 N66N53-P55 VanDerWaalsContact C-CD 3.5Å; N53-P55 VanDerWaalsContact O-CD 3.25Å; N53-P55 WeakPolarHBondContact O-CD 3.5Å; P55-C57 PolarHBondContact O-N 3.32Å; P55-N66 PolarHBondContact O-ND2 3.26Å
56T92.1Very high90.5Very high95 Ų9568.5 Ų68.558%0.58336%0.363SS*.  trans-60.9124.9173.552.10000110V35V35-T56 HydrophobicContact CB-CG2 4.39Å; V35-T56 HydrophobicContact CG1-CG2 4.25Å; V35-T56 HydrophobicContact CG2-CG2 4.04Å
57C90.7Very high90.9Very high18 Ų1864.1 Ų64.112%0.12233%0.334CS..  trans-137141.8-174.563.20000113P55 S62 K63 N66P55-C57 PolarHBondContact O-N 3.32Å; C57-S62 VanDerWaalsContact SG-CB 3.57Å; C57-K63 VanDerWaalsContact O-CE 3.28Å; C57-K63 WeakPolarHBondContact O-CE 3.47Å; C57-K63 PolarHBondContact SG-N 3.36Å; C57-K63 VanDerWaalsContact SG-N 3.41Å; C57-N66 PolarHBondContact SG-ND2 2.87Å; C57-N66 VanDerWaalsContact SG-ND2 3.41Å
58N91.2Very high91.4Very high157 Ų15761.2 Ų61.284%0.8432%0.323SS*.  trans-97-27.3-178.1-67.8-30000113.1K63N58-K63 WeakPolarHBondContact O-CE 3.46Å
59S93.6Very high91.9Very high68 Ų6862.6 Ų62.648%0.47633%0.331SS..SBendtrans-74.5131.7179.6179.40000111.7E61 S62 K63S59-E61 PolarHBondContact O-N 3.09Å; S59-S62 WeakPolarHBondContact O-CB 3.41Å; S59-S62 PolarHBondContact O-N 3.22Å; S59-K63 WeakPolarHBondContact O-CG 3.48Å; S59-K63 PolarHBondContact O-N 2.79Å
60I94Very high92.2Very high92 Ų9262.4 Ų62.447%0.47233%0.329SS..Hα-helixtrans-54.1-40.3-179.8-60.6170.9000111.2S62 K63 R64 I92I60-S62 PolarHBondContact O-N 3.03Å; I60-K63 WeakPolarHBondContact O-CB 3.37Å; I60-K63 PolarHBondContact O-N 3Å; I60-R64 PolarHBondContact O-N 3.44Å; I60-I92 HydrophobicContact CD1-CG1 4.39Å; I60-I92 HydrophobicContact CG2-CG1 4.24Å
61E94Very high92.4Very high96 Ų9660 Ų6045%0.44932%0.316SS..Hα-helixtrans-66.2-36.2178.8177.758-163.800112.8S59 K65S59-E61 PolarHBondContact O-N 3.09Å; E61-K65 WeakPolarHBondContact O-CG 3.46Å; E61-K65 PolarHBondContact O-N 3.29Å; E61-K65 WeakPolarHBondContact OE1-CE 3.42Å; E61-K65 IonicContact OE1-NZ 2.68Å; E61-K65 PolarHBondContact OE1-NZ 3.45Å
62S94Very high92.4Very high49 Ų4963.5 Ų63.534%0.34333%0.326SS..Hα-helixtrans-70.2-39.2173-57.40000111.4C57 S59 I60 K65 N66C57-S62 VanDerWaalsContact SG-CB 3.57Å; S59-S62 WeakPolarHBondContact O-CB 3.41Å; S59-S62 PolarHBondContact O-N 3.22Å; I60-S62 PolarHBondContact O-N 3.03Å; S62-K65 PolarHBondContact O-N 2.98Å; S62-N66 PolarHBondContact O-N 3.45Å
63K95.1Very high92.4Very high27 Ų2758.7 Ų58.712%0.11730%0.304CS..Hα-helixtrans-62.5-44.2175.7-63.1-179.9179.8-1710111.2S32 C57 N58 S59 I60 K65 N66 W67 S91S32-K63 WeakPolarHBondContact O-CD 3.31Å; S32-K63 PolarHBondContact OG-NZ 3.09Å; C57-K63 VanDerWaalsContact O-CE 3.28Å; C57-K63 WeakPolarHBondContact O-CE 3.47Å; C57-K63 PolarHBondContact SG-N 3.36Å; C57-K63 VanDerWaalsContact SG-N 3.41Å; N58-K63 WeakPolarHBondContact O-CE 3.46Å; S59-K63 WeakPolarHBondContact O-CG 3.48Å; S59-K63 PolarHBondContact O-N 2.79Å; I60-K63 WeakPolarHBondContact O-CB 3.37Å; I60-K63 PolarHBondContact O-N 3Å; K63-K65 VanDerWaalsContact C-N 3.31Å; K63-K65 PolarHBondContact O-N 3.17Å; K63-N66 WeakPolarHBondContact O-CB 3.3Å; K63-N66 PolarHBondContact O-N 2.91Å; K63-W67 VanDerWaalsContact O-CD1 3.24Å; K63-W67 PolarHBondContact O-N 2.63Å; K63-S91 VanDerWaalsContact CD-O 3.23Å; K63-S91 WeakPolarHBondContact CD-O 3.35Å
64R94.8Very high92.4Very high74 Ų7456.1 Ų56.128%0.27929%0.29SS..Hα-helixtrans-55.4-46.3174.4-179.5174.9-173.8165.77.5111.2I60 W67 Q68 D84 I87 S91I60-R64 PolarHBondContact O-N 3.44Å; R64-W67 PolarHBondContact O-N 3.43Å; R64-Q68 HydrophobicContact CG-CG 4.39Å; R64-Q68 WeakPolarHBondContact O-CB 3.31Å; R64-Q68 WeakPolarHBondContact O-CG 3.26Å; R64-Q68 PolarHBondContact O-N 3.39Å; R64-D84 IonicContact CZ-OD1 3.8Å; R64-D84 IonicContact NE-OD1 2.71Å; R64-D84 IonicContact NH2-OD1 3.44Å; R64-D84 PolarHBondContact NH2-OD1 3.29Å; R64-I87 HydrophobicContact CG-CG2 4.04Å; R64-S91 WeakPolarHBondContact CA-OG 3.37Å; R64-S91 PolarHBondContact N-OG 2.87Å
65K93.9Very high92.3Very high114 Ų11455.9 Ų55.950%0.49629%0.289SS..Hα-helixtrans-62.5-44.5176.4-73.9166.6-179.71530112.7E61 S62 K63 W67 Q68 L69E61-K65 WeakPolarHBondContact O-CG 3.46Å; E61-K65 PolarHBondContact O-N 3.29Å; E61-K65 WeakPolarHBondContact OE1-CE 3.42Å; E61-K65 IonicContact OE1-NZ 2.68Å; E61-K65 PolarHBondContact OE1-NZ 3.45Å; S62-K65 PolarHBondContact O-N 2.98Å; K63-K65 VanDerWaalsContact C-N 3.31Å; K63-K65 PolarHBondContact O-N 3.17Å; K65-W67 VanDerWaalsContact C-N 3.34Å; K65-W67 PolarHBondContact O-N 2.97Å; K65-Q68 PolarHBondContact O-N 2.9Å; K65-L69 WeakPolarHBondContact O-CB 3.47Å; K65-L69 PolarHBondContact O-N 3.11Å
66N94.2Very high92Very high14 Ų1456.7 Ų56.78%0.07528%0.284CS..Hα-helixtrans-57.7-46.4173.8-78.57000111.4D33 F54 P55 C57 S62 K63 L69 L70D33-N66 WeakPolarHBondContact O-CB 3.42Å; D33-N66 PolarHBondContact O-ND2 2.86Å; F54-N66 HydrophobicContact CD1-CB 4.45Å; P55-N66 PolarHBondContact O-ND2 3.26Å; C57-N66 PolarHBondContact SG-ND2 2.87Å; C57-N66 VanDerWaalsContact SG-ND2 3.41Å; S62-N66 PolarHBondContact O-N 3.45Å; K63-N66 WeakPolarHBondContact O-CB 3.3Å; K63-N66 PolarHBondContact O-N 2.91Å; N66-L69 PolarHBondContact O-N 3.32Å; N66-L70 WeakPolarHBondContact O-CB 3.44Å; N66-L70 PolarHBondContact O-N 3.42Å
67W94.7Very high91.5Very high0 Ų057.2 Ų57.20%028%0.278CS..Hα-helixtrans-67-40177.9-82.3111.4000113.5F31 S32 M37 K63 R64 K65 L70 N71 F75 L82 I87 L90 I98F31-W67 VanDerWaalsContact O-CZ2 3.28Å; F31-W67 WeakPolarHBondContact O-CZ2 3.3Å; S32-W67 PolarHBondContact O-NE1 2.91Å; M37-W67 HydrophobicContact CB-CH2 3.95Å; M37-W67 HydrophobicContact CB-CZ3 4.29Å; M37-W67 HydrophobicContact CE-CH2 3.81Å; M37-W67 HydrophobicContact CE-CZ3 4.26Å; M37-W67 HydrophobicContact CG-CH2 4.01Å; M37-W67 HydrophobicContact CG-CZ3 4.03Å; K63-W67 VanDerWaalsContact O-CD1 3.24Å; K63-W67 PolarHBondContact O-N 2.63Å; R64-W67 PolarHBondContact O-N 3.43Å; K65-W67 VanDerWaalsContact C-N 3.34Å; K65-W67 PolarHBondContact O-N 2.97Å; W67-L70 HydrophobicContact CE3-CD2 3.88Å; W67-L70 HydrophobicContact CZ3-CD2 3.77Å; W67-L70 PolarHBondContact O-N 3.29Å; W67-N71 VanDerWaalsContact O-CB 3.25Å; W67-N71 WeakPolarHBondContact O-CB 3.36Å; W67-N71 PolarHBondContact O-N 3.17Å; W67-F75 HydrophobicContact CE3-CE2 4.37Å; W67-F75 HydrophobicContact CZ3-CE2 4.09Å; W67-F75 HydrophobicContact CZ3-CZ 4.17Å; W67-L82 HydrophobicContact CE3-CD1 4.27Å; W67-L82 HydrophobicContact CZ3-CD1 4.32Å; W67-I87 HydrophobicContact CB-CB 4.45Å; W67-I87 HydrophobicContact CB-CG1 4.35Å; W67-I87 HydrophobicContact CB-CG2 3.56Å; W67-I87 HydrophobicContact CG-CG2 4.39Å; W67-L90 HydrophobicContact CD2-CB 4.34Å; W67-L90 HydrophobicContact CD2-CD1 4Å; W67-L90 HydrophobicContact CE3-CD1 3.9Å; W67-L90 HydrophobicContact CH2-CD1 3.91Å; W67-L90 HydrophobicContact CH2-CD2 4.34Å; W67-L90 HydrophobicContact CZ2-CB 4.06Å; W67-L90 HydrophobicContact CZ2-CD1 4Å; W67-L90 HydrophobicContact CZ2-CD2 4.18Å; W67-L90 HydrophobicContact CZ2-CG 4.32Å; W67-L90 HydrophobicContact CZ3-CD1 3.86Å; W67-I98 HydrophobicContact CH2-CD1 4.03Å; W67-I98 HydrophobicContact CZ2-CD1 4.31Å
68Q93.3Very high91.1Very high71 Ų7156.5 Ų56.533%0.33227%0.273SS..Hα-helixtrans-64.6-41.4175-75.6173.7-28.200111.5R64 K65 N71 W72 D84 I87R64-Q68 HydrophobicContact CG-CG 4.39Å; R64-Q68 WeakPolarHBondContact O-CB 3.31Å; R64-Q68 WeakPolarHBondContact O-CG 3.26Å; R64-Q68 PolarHBondContact O-N 3.39Å; K65-Q68 PolarHBondContact O-N 2.9Å; Q68-N71 PolarHBondContact O-N 3.04Å; Q68-W72 PolarHBondContact O-N 2.86Å; Q68-D84 PolarHBondContact NE2-OD1 3.4Å; Q68-I87 HydrophobicContact CG-CD1 4.07Å; Q68-I87 HydrophobicContact CG-CG2 4.32Å
69L92.4Very high90.8Very high49 Ų4955.7 Ų55.726%0.25727%0.268SS..Hα-helixtrans-62.1-44.5172.9179.161.6000111.4N53 F54 K65 N66 W72 K73N53-L69 HydrophobicContact CB-CD2 4.4Å; F54-L69 HydrophobicContact CD1-CD2 4.32Å; F54-L69 HydrophobicContact CE1-CB 4.05Å; F54-L69 HydrophobicContact CE1-CD2 3.8Å; F54-L69 HydrophobicContact CE1-CG 3.79Å; F54-L69 HydrophobicContact CZ-CD2 4.09Å; F54-L69 HydrophobicContact CZ-CG 3.99Å; K65-L69 WeakPolarHBondContact O-CB 3.47Å; K65-L69 PolarHBondContact O-N 3.11Å; N66-L69 PolarHBondContact O-N 3.32Å; L69-W72 PolarHBondContact O-N 2.89Å; L69-K73 HydrophobicContact CD1-CB 4.34Å; L69-K73 HydrophobicContact CD1-CD 4.23Å; L69-K73 WeakPolarHBondContact O-CB 3.39Å; L69-K73 PolarHBondContact O-N 3.37Å
70L92.1Very high90.4Very high0 Ų053.3 Ų53.30%025%0.25CC..Hα-helixtrans-62.9-43.8177-166.978.7000111.3M37 A38 F54 N66 W67 W72 V74 F75M37-L70 HydrophobicContact CB-CD2 3.87Å; M37-L70 HydrophobicContact CG-CD2 3.53Å; A38-L70 HydrophobicContact CB-CD1 4.14Å; F54-L70 HydrophobicContact CE1-CB 3.88Å; F54-L70 HydrophobicContact CE1-CD1 3.94Å; F54-L70 HydrophobicContact CE2-CD1 4.36Å; F54-L70 HydrophobicContact CZ-CB 4.32Å; F54-L70 HydrophobicContact CZ-CD1 3.79Å; N66-L70 WeakPolarHBondContact O-CB 3.44Å; N66-L70 PolarHBondContact O-N 3.42Å; W67-L70 HydrophobicContact CE3-CD2 3.88Å; W67-L70 HydrophobicContact CZ3-CD2 3.77Å; W67-L70 PolarHBondContact O-N 3.29Å; L70-W72 PolarHBondContact O-N 3.39Å; L70-V74 HydrophobicContact CD1-CB 4.15Å; L70-V74 HydrophobicContact CD1-CG2 3.72Å; L70-V74 HydrophobicContact CG-CB 4.38Å; L70-V74 HydrophobicContact CG-CG2 4.37Å; L70-V74 WeakPolarHBondContact O-CA 3.27Å; L70-V74 VanDerWaalsContact O-CB 3.25Å; L70-V74 WeakPolarHBondContact O-CB 3.39Å; L70-V74 PolarHBondContact O-N 2.98Å; L70-F75 HydrophobicContact CD2-CE1 4.01Å; L70-F75 HydrophobicContact CD2-CE2 3.83Å; L70-F75 HydrophobicContact CD2-CZ 3.41Å; L70-F75 VanDerWaalsContact CD2-CZ 3.41Å; L70-F75 HydrophobicContact CG-CE1 4.23Å; L70-F75 HydrophobicContact CG-CE2 4.25Å; L70-F75 HydrophobicContact CG-CZ 4Å; L70-F75 PolarHBondContact O-N 3.49Å
71N92.4Very high90.2Very high23 Ų2354.8 Ų54.812%0.12325%0.254CS..Hα-helixtrans-58-50.2177.6-16627.3000111W67 Q68 F75 K76 E81 L82 I87W67-N71 VanDerWaalsContact O-CB 3.25Å; W67-N71 WeakPolarHBondContact O-CB 3.36Å; W67-N71 PolarHBondContact O-N 3.17Å; Q68-N71 PolarHBondContact O-N 3.04Å; N71-F75 HydrophobicContact CB-CD2 4.32Å; N71-F75 WeakPolarHBondContact O-CB 3.41Å; N71-F75 PolarHBondContact O-N 3.24Å; N71-K76 PolarHBondContact O-N 3.04Å; N71-K76 VanDerWaalsContact O-N 3.08Å; N71-E81 WeakPolarHBondContact OD1-CA 3.22Å; N71-L82 PolarHBondContact ND2-O 3.3Å; N71-L82 PolarHBondContact OD1-N 3.14Å; N71-I87 HydrophobicContact CB-CD1 4.31Å
72W89.6Confident90Very high107 Ų10751.1 Ų51.141%0.40524%0.238SC..Hα-helixtrans-71.3-49.8-179.4177.928.9000113.7Q68 L69 L70 Y130Q68-W72 PolarHBondContact O-N 2.86Å; L69-W72 PolarHBondContact O-N 2.89Å; L70-W72 PolarHBondContact O-N 3.39Å; W72-Y130 AromaticContact CH2-CE2 3.92Å; W72-Y130 HydrophobicContact CH2-CE2 3.92Å; W72-Y130 AromaticContact CH2-CZ 3.87Å; W72-Y130 WeakPolarHBondContact CH2-OH 3.4Å; W72-Y130 HydrophobicContact CZ3-CE2 4.31Å; W72-Y130 WeakPolarHBondContact CZ3-OH 3.44Å
73K88Confident90Very high36 Ų3651.6 Ų51.616%0.15724%0.242CC..Hα-helixtrans-78.1-36.8-171.3-172164.4177.6167.40112.6L69 E126L69-K73 HydrophobicContact CD1-CB 4.34Å; L69-K73 HydrophobicContact CD1-CD 4.23Å; L69-K73 WeakPolarHBondContact O-CB 3.39Å; L69-K73 PolarHBondContact O-N 3.37Å; K73-E126 WeakPolarHBondContact CE-OE2 3.31Å; K73-E126 IonicContact NZ-OE1 3.79Å; K73-E126 IonicContact NZ-OE2 2.9Å; K73-E126 PolarHBondContact NZ-OE2 2.6Å
74V88.1Confident89.9Confident0 Ų054 Ų540%026%0.256CS..THydrogen-bonded Turntrans-109.1-56.6-171.5-170.80000111.5M41 V49 L70 K76 K77M41-V74 HydrophobicContact CB-CG1 4.15Å; M41-V74 HydrophobicContact CE-CG1 3.76Å; M41-V74 HydrophobicContact CG-CG1 4.07Å; V49-V74 HydrophobicContact CB-CG2 4.4Å; V49-V74 HydrophobicContact CG1-CG2 4.34Å; V49-V74 HydrophobicContact CG2-CB 4.16Å; V49-V74 HydrophobicContact CG2-CG1 3.47Å; V49-V74 VanDerWaalsContact CG2-CG1 3.47Å; V49-V74 HydrophobicContact CG2-CG2 3.54Å; L70-V74 HydrophobicContact CD1-CB 4.15Å; L70-V74 HydrophobicContact CD1-CG2 3.72Å; L70-V74 HydrophobicContact CG-CB 4.38Å; L70-V74 HydrophobicContact CG-CG2 4.37Å; L70-V74 WeakPolarHBondContact O-CA 3.27Å; L70-V74 VanDerWaalsContact O-CB 3.25Å; L70-V74 WeakPolarHBondContact O-CB 3.39Å; L70-V74 PolarHBondContact O-N 2.98Å; V74-K76 PolarHBondContact O-N 2.93Å; V74-K77 VanDerWaalsContact O-CB 3.3Å; V74-K77 WeakPolarHBondContact O-CB 3.39Å; V74-K77 PolarHBondContact O-N 3.44Å
75F88.6Confident89.8Confident0 Ų056 Ų560%027%0.272CS..G310 helixtrans-68.7-35.5-170.8-61.3-26.1000113.3M37 M41 W67 L70 N71 K77 L78 N79 F80 L82 L105M37-F75 HydrophobicContact CG-CE1 4.46Å; M37-F75 HydrophobicContact CG-CZ 3.95Å; M41-F75 HydrophobicContact CG-CE1 4.31Å; W67-F75 HydrophobicContact CE3-CE2 4.37Å; W67-F75 HydrophobicContact CZ3-CE2 4.09Å; W67-F75 HydrophobicContact CZ3-CZ 4.17Å; L70-F75 HydrophobicContact CD2-CE1 4.01Å; L70-F75 HydrophobicContact CD2-CE2 3.83Å; L70-F75 HydrophobicContact CD2-CZ 3.41Å; L70-F75 VanDerWaalsContact CD2-CZ 3.41Å; L70-F75 HydrophobicContact CG-CE1 4.23Å; L70-F75 HydrophobicContact CG-CE2 4.25Å; L70-F75 HydrophobicContact CG-CZ 4Å; L70-F75 PolarHBondContact O-N 3.49Å; N71-F75 HydrophobicContact CB-CD2 4.32Å; N71-F75 WeakPolarHBondContact O-CB 3.41Å; N71-F75 PolarHBondContact O-N 3.24Å; F75-K77 PolarHBondContact O-N 3.44Å; F75-K77 VanDerWaalsContact O-N 3.1Å; F75-L78 HydrophobicContact CD1-CD1 4.29Å; F75-L78 WeakPolarHBondContact O-CA 3.49Å; F75-L78 WeakPolarHBondContact O-CB 3.44Å; F75-L78 PolarHBondContact O-N 3.06Å; F75-N79 PolarHBondContact O-N 3.3Å; F75-F80 CarbonylContact C-O 3.55Å; F75-F80 HydrophobicContact CB-CB 4.2Å; F75-F80 HydrophobicContact CB-CD1 3.82Å; F75-F80 HydrophobicContact CB-CG 4.44Å; F75-F80 WeakPolarHBondContact CB-O 3.33Å; F75-F80 AromaticContact CD1-CD1 3.96Å; F75-F80 HydrophobicContact CD1-CD1 3.96Å; F75-F80 AromaticContact CD2-CD1 3.89Å; F75-F80 HydrophobicContact CD2-CD1 3.89Å; F75-F80 HydrophobicContact CD2-CE1 4.07Å; F75-F80 HydrophobicContact CE1-CD1 4.45Å; F75-F80 HydrophobicContact CE2-CD1 4.4Å; F75-F80 HydrophobicContact CE2-CE1 4.19Å; F75-F80 AromaticContact CG-CD1 3.66Å; F75-F80 HydrophobicContact CG-CD1 3.66Å; F75-F80 HydrophobicContact CG-CE1 4.26Å; F75-F80 HydrophobicContact CZ-CE1 4.44Å; F75-F80 PolarHBondContact O-N 3.01Å; F75-L82 HydrophobicContact CD2-CD1 4.09Å; F75-L82 HydrophobicContact CD2-CG 4.13Å; F75-L82 HydrophobicContact CE2-CD1 3.67Å; F75-L82 HydrophobicContact CE2-CG 4.18Å; F75-L105 HydrophobicContact CD1-CD1 4.27Å; F75-L105 HydrophobicContact CE1-CD1 3.94Å; F75-L105 HydrophobicContact CE1-CD2 4.29Å
76K85.4Confident89.9Confident100 Ų10052.6 Ų52.644%0.43526%0.261SS..G310 helixtrans-56.3-27.8171.7-65.3-160.3-167.5-107.90113.7N71 V74 L78 N79 F80 E81N71-K76 PolarHBondContact O-N 3.04Å; N71-K76 VanDerWaalsContact O-N 3.08Å; V74-K76 PolarHBondContact O-N 2.93Å; K76-L78 VanDerWaalsContact C-N 3.25Å; K76-L78 PolarHBondContact O-N 2.68Å; K76-N79 PolarHBondContact O-N 3.47Å; K76-F80 PolarHBondContact N-O 3.39Å; K76-E81 WeakPolarHBondContact CD-OE1 3.46Å; K76-E81 WeakPolarHBondContact CE-OE1 3.34Å; K76-E81 HydrophobicContact CG-CG 4.31Å; K76-E81 WeakPolarHBondContact CG-OE1 3.44Å; K76-E81 IonicContact NZ-OE1 3.77Å; K76-E81 PolarHBondContact NZ-OE1 2.91Å
77K81.4Confident89.9Confident107 Ų10752 Ų5247%0.46526%0.257SS..G310 helixtrans-70.7-19.6175.2-61.9-69.5-1711700113.4F48 V74 F75F48-K77 HydrophobicContact CD1-CB 4.12Å; F48-K77 HydrophobicContact CD1-CD 4.38Å; F48-K77 HydrophobicContact CD1-CG 3.89Å; F48-K77 HydrophobicContact CE1-CB 3.78Å; F48-K77 HydrophobicContact CE1-CD 3.93Å; F48-K77 HydrophobicContact CE1-CG 3.78Å; F48-K77 HydrophobicContact CE2-CB 4.22Å; F48-K77 HydrophobicContact CG-CB 4.47Å; F48-K77 HydrophobicContact CZ-CB 3.82Å; F48-K77 HydrophobicContact CZ-CG 4.35Å; V74-K77 VanDerWaalsContact O-CB 3.3Å; V74-K77 WeakPolarHBondContact O-CB 3.39Å; V74-K77 PolarHBondContact O-N 3.44Å; F75-K77 PolarHBondContact O-N 3.44Å; F75-K77 VanDerWaalsContact O-N 3.1Å
78L83.1Confident89.9Confident3 Ų356.5 Ų56.52%0.01628%0.278CS..G310 helixtrans-99.76.5178-43.7175.7000112.7M41 F45 F48 F75 K76 F80 L105 K108 M112M41-L78 HydrophobicContact CE-CD1 3.66Å; M41-L78 HydrophobicContact CE-CD2 4.16Å; M41-L78 HydrophobicContact CE-CG 4.39Å; M41-L78 HydrophobicContact SD-CD1 4.22Å; F45-L78 HydrophobicContact CD2-CD2 4.43Å; F45-L78 HydrophobicContact CE2-CD2 4.03Å; F45-L78 HydrophobicContact CZ-CD2 4.45Å; F48-L78 HydrophobicContact CE2-CD2 4.33Å; F75-L78 HydrophobicContact CD1-CD1 4.29Å; F75-L78 WeakPolarHBondContact O-CA 3.49Å; F75-L78 WeakPolarHBondContact O-CB 3.44Å; F75-L78 PolarHBondContact O-N 3.06Å; K76-L78 VanDerWaalsContact C-N 3.25Å; K76-L78 PolarHBondContact O-N 2.68Å; L78-F80 HydrophobicContact CB-CB 4.17Å; L78-F80 PolarHBondContact O-N 3.02Å; L78-L105 HydrophobicContact CD1-CD1 3.6Å; L78-K108 PolarHBondContact O-NZ 3.25Å; L78-M112 HydrophobicContact CB-SD 3.98Å; L78-M112 HydrophobicContact CD2-CE 4.19Å; L78-M112 HydrophobicContact CD2-SD 3.46Å; L78-M112 WeakPolarHBondContact CD2-SD 3.32Å; L78-M112 HydrophobicContact CG-SD 4.32Å
79N83.4Confident89.9Confident139 Ų13954.5 Ų54.574%0.74327%0.272SS*.THydrogen-bonded Turntrans47.247.5-163.7-61.994.6000111.2F75 K76 K108F75-N79 PolarHBondContact O-N 3.3Å; K76-N79 PolarHBondContact O-N 3.47Å; N79-K108 PolarHBondContact O-NZ 2.78Å
80F85.9Confident90Very high19 Ų1952.3 Ų52.38%0.08326%0.261CS..  trans-123.8132.7176-176.7-122000107.3F75 K76 L78 L82 V101 L104 L105F75-F80 CarbonylContact C-O 3.55Å; F75-F80 HydrophobicContact CB-CB 4.2Å; F75-F80 HydrophobicContact CB-CD1 3.82Å; F75-F80 HydrophobicContact CB-CG 4.44Å; F75-F80 WeakPolarHBondContact CB-O 3.33Å; F75-F80 AromaticContact CD1-CD1 3.96Å; F75-F80 HydrophobicContact CD1-CD1 3.96Å; F75-F80 AromaticContact CD2-CD1 3.89Å; F75-F80 HydrophobicContact CD2-CD1 3.89Å; F75-F80 HydrophobicContact CD2-CE1 4.07Å; F75-F80 HydrophobicContact CE1-CD1 4.45Å; F75-F80 HydrophobicContact CE2-CD1 4.4Å; F75-F80 HydrophobicContact CE2-CE1 4.19Å; F75-F80 AromaticContact CG-CD1 3.66Å; F75-F80 HydrophobicContact CG-CD1 3.66Å; F75-F80 HydrophobicContact CG-CE1 4.26Å; F75-F80 HydrophobicContact CZ-CE1 4.44Å; F75-F80 PolarHBondContact O-N 3.01Å; K76-F80 PolarHBondContact N-O 3.39Å; L78-F80 HydrophobicContact CB-CB 4.17Å; L78-F80 PolarHBondContact O-N 3.02Å; F80-L82 HydrophobicContact CE1-CD2 3.77Å; F80-L82 HydrophobicContact CE1-CG 4.18Å; F80-L82 HydrophobicContact CE2-CD2 4.34Å; F80-L82 HydrophobicContact CZ-CD2 3.53Å; F80-L82 HydrophobicContact CZ-CG 4.42Å; F80-V101 HydrophobicContact CE1-CG1 4.31Å; F80-V101 HydrophobicContact CZ-CG1 4.32Å; F80-L104 HydrophobicContact CE2-CB 3.96Å; F80-L104 HydrophobicContact CE2-CD1 4.2Å; F80-L104 HydrophobicContact CZ-CB 4.17Å; F80-L105 HydrophobicContact CD1-CD1 4.37Å
81E88.9Confident90.1Very high122 Ų12252.4 Ų52.457%0.5726%0.261SS*.  trans-138.4132.9178-63.2-165.8146.100108.4N71 K76N71-E81 WeakPolarHBondContact OD1-CA 3.22Å; K76-E81 WeakPolarHBondContact CD-OE1 3.46Å; K76-E81 WeakPolarHBondContact CE-OE1 3.34Å; K76-E81 HydrophobicContact CG-CG 4.31Å; K76-E81 WeakPolarHBondContact CG-OE1 3.44Å; K76-E81 IonicContact NZ-OE1 3.77Å; K76-E81 PolarHBondContact NZ-OE1 2.91Å
82L91.5Very high90.2Very high19 Ų1956.1 Ų56.110%0.09928%0.28CS..  trans-95.1139.8171.4-60.8-178.3000109.6W67 N71 F75 F80 V86 I87 L90 V101W67-L82 HydrophobicContact CE3-CD1 4.27Å; W67-L82 HydrophobicContact CZ3-CD1 4.32Å; N71-L82 PolarHBondContact ND2-O 3.3Å; N71-L82 PolarHBondContact OD1-N 3.14Å; F75-L82 HydrophobicContact CD2-CD1 4.09Å; F75-L82 HydrophobicContact CD2-CG 4.13Å; F75-L82 HydrophobicContact CE2-CD1 3.67Å; F75-L82 HydrophobicContact CE2-CG 4.18Å; F80-L82 HydrophobicContact CE1-CD2 3.77Å; F80-L82 HydrophobicContact CE1-CG 4.18Å; F80-L82 HydrophobicContact CE2-CD2 4.34Å; F80-L82 HydrophobicContact CZ-CD2 3.53Å; F80-L82 HydrophobicContact CZ-CG 4.42Å; L82-V86 HydrophobicContact CD2-CG1 4.13Å; L82-I87 HydrophobicContact CB-CD1 4.26Å; L82-I87 HydrophobicContact CB-CG1 3.94Å; L82-I87 HydrophobicContact CD1-CG1 4.43Å; L82-L90 HydrophobicContact CD1-CD1 3.76Å; L82-V101 HydrophobicContact CD1-CG1 4.28Å; L82-V101 HydrophobicContact CD2-CG1 4.29Å; L82-V101 HydrophobicContact CD2-CG2 4Å
83S93.5Very high90.3Very high60 Ų6052.3 Ų52.342%0.4227%0.272SS..  trans-73.8157168.761.90000111.2D85 V86 I87S83-D85 VanDerWaalsContact C-N 3.25Å; S83-D85 PolarHBondContact O-N 3.49Å; S83-V86 PolarHBondContact O-N 2.78Å; S83-V86 VanDerWaalsContact O-N 3.13Å; S83-V86 WeakPolarHBondContact OG-CG2 3.42Å; S83-I87 WeakPolarHBondContact O-CG1 3.47Å; S83-I87 PolarHBondContact O-N 3.3Å
84D92.6Very high90.5Very high77 Ų7756.4 Ų56.441%0.41229%0.289SS..Hα-helixtrans-57.3-36.7177.7-84.4-75.1000112.5R64 Q68 V86 I87 E88R64-D84 IonicContact CZ-OD1 3.8Å; R64-D84 IonicContact NE-OD1 2.71Å; R64-D84 IonicContact NH2-OD1 3.44Å; R64-D84 PolarHBondContact NH2-OD1 3.29Å; Q68-D84 PolarHBondContact NE2-OD1 3.4Å; D84-V86 VanDerWaalsContact C-N 3.3Å; D84-V86 PolarHBondContact O-N 3.32Å; D84-I87 WeakPolarHBondContact O-CB 3.49Å; D84-I87 PolarHBondContact O-N 2.91Å; D84-I87 VanDerWaalsContact O-N 3.16Å; D84-E88 PolarHBondContact O-N 3.14Å
85D93.9Very high90.5Very high115 Ų11561.3 Ų61.362%0.61532%0.321SS*.Hα-helixtrans-62.4-36.4177.8-42.5-49.5000112.7S83 S89S83-D85 VanDerWaalsContact C-N 3.25Å; S83-D85 PolarHBondContact O-N 3.49Å; D85-S89 WeakPolarHBondContact O-CB 3.47Å; D85-S89 PolarHBondContact O-N 3.5Å; D85-S89 PolarHBondContact O-OG 3.36Å
86V94.2Very high90.6Very high44 Ų4462.3 Ų62.327%0.26733%0.332SS..Hα-helixtrans-73.5-40.2176175.30000109.8L82 S83 D84 E88 S89 L90 T97 V101L82-V86 HydrophobicContact CD2-CG1 4.13Å; S83-V86 PolarHBondContact O-N 2.78Å; S83-V86 VanDerWaalsContact O-N 3.13Å; S83-V86 WeakPolarHBondContact OG-CG2 3.42Å; D84-V86 VanDerWaalsContact C-N 3.3Å; D84-V86 PolarHBondContact O-N 3.32Å; V86-E88 VanDerWaalsContact C-N 3.35Å; V86-E88 PolarHBondContact O-N 2.62Å; V86-S89 PolarHBondContact O-N 3.15Å; V86-L90 HydrophobicContact CG1-CD1 4.06Å; V86-L90 HydrophobicContact CG1-CG 4.39Å; V86-L90 WeakPolarHBondContact O-CB 3.41Å; V86-L90 WeakPolarHBondContact O-CG 3.45Å; V86-L90 PolarHBondContact O-N 3.21Å; V86-T97 HydrophobicContact CG1-CG2 4.17Å; V86-V101 HydrophobicContact CG1-CG2 4Å
87I94.1Very high90.9Very high1 Ų158.6 Ų58.61%0.00532%0.317CS..Hα-helixtrans-62-41.4175.2-69.3170.4000111.6R64 W67 Q68 N71 L82 S83 D84 L90 S91R64-I87 HydrophobicContact CG-CG2 4.04Å; W67-I87 HydrophobicContact CB-CB 4.45Å; W67-I87 HydrophobicContact CB-CG1 4.35Å; W67-I87 HydrophobicContact CB-CG2 3.56Å; W67-I87 HydrophobicContact CG-CG2 4.39Å; Q68-I87 HydrophobicContact CG-CD1 4.07Å; Q68-I87 HydrophobicContact CG-CG2 4.32Å; N71-I87 HydrophobicContact CB-CD1 4.31Å; L82-I87 HydrophobicContact CB-CD1 4.26Å; L82-I87 HydrophobicContact CB-CG1 3.94Å; L82-I87 HydrophobicContact CD1-CG1 4.43Å; S83-I87 WeakPolarHBondContact O-CG1 3.47Å; S83-I87 PolarHBondContact O-N 3.3Å; D84-I87 WeakPolarHBondContact O-CB 3.49Å; D84-I87 PolarHBondContact O-N 2.91Å; D84-I87 VanDerWaalsContact O-N 3.16Å; I87-L90 PolarHBondContact O-N 3.5Å; I87-S91 WeakPolarHBondContact O-CB 3.32Å; I87-S91 PolarHBondContact O-N 2.97Å; I87-S91 PolarHBondContact O-OG 3.37Å
88E94.7Very high91.5Very high95 Ų9553.7 Ų53.744%0.44430%0.296SS..Hα-helixtrans-64.8-46.4174.7-177.4164.2-122.300111.1D84 V86 L90 S91 I92D84-E88 PolarHBondContact O-N 3.14Å; V86-E88 VanDerWaalsContact C-N 3.35Å; V86-E88 PolarHBondContact O-N 2.62Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 3.41Å; E88-S91 PolarHBondContact O-N 3.23Å; E88-S91 VanDerWaalsContact O-N 3.1Å; E88-I92 HydrophobicContact CG-CD1 3.84Å; E88-I92 WeakPolarHBondContact O-CG1 3.36Å; E88-I92 PolarHBondContact O-N 3.13Å
89S94.5Very high91.9Very high28 Ų2854.2 Ų54.220%0.19630%0.298CS..Hα-helixtrans-58.1-39.1175.2-64.50000112.9D85 V86 A93 K94D85-S89 WeakPolarHBondContact O-CB 3.47Å; D85-S89 PolarHBondContact O-N 3.5Å; D85-S89 PolarHBondContact O-OG 3.36Å; V86-S89 PolarHBondContact O-N 3.15Å; S89-A93 PolarHBondContact O-N 3.5Å; S89-K94 VanDerWaalsContact O-CB 3.27Å; S89-K94 WeakPolarHBondContact O-CB 3.49Å; S89-K94 PolarHBondContact O-N 3.3Å
90L94.8Very high92.3Very high4 Ų452.4 Ų52.42%0.02128%0.284CS..Hα-helixtrans-68-41.6174-70.7166.8000112.1S32 W67 L82 V86 I87 E88 I92 A93 T97 I98 V101S32-L90 WeakPolarHBondContact CA-O 3.34Å; S32-L90 WeakPolarHBondContact CB-O 3.44Å; W67-L90 HydrophobicContact CD2-CB 4.34Å; W67-L90 HydrophobicContact CD2-CD1 4Å; W67-L90 HydrophobicContact CE3-CD1 3.9Å; W67-L90 HydrophobicContact CH2-CD1 3.91Å; W67-L90 HydrophobicContact CH2-CD2 4.34Å; W67-L90 HydrophobicContact CZ2-CB 4.06Å; W67-L90 HydrophobicContact CZ2-CD1 4Å; W67-L90 HydrophobicContact CZ2-CD2 4.18Å; W67-L90 HydrophobicContact CZ2-CG 4.32Å; W67-L90 HydrophobicContact CZ3-CD1 3.86Å; L82-L90 HydrophobicContact CD1-CD1 3.76Å; V86-L90 HydrophobicContact CG1-CD1 4.06Å; V86-L90 HydrophobicContact CG1-CG 4.39Å; V86-L90 WeakPolarHBondContact O-CB 3.41Å; V86-L90 WeakPolarHBondContact O-CG 3.45Å; V86-L90 PolarHBondContact O-N 3.21Å; I87-L90 PolarHBondContact O-N 3.5Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 3.41Å; L90-I92 VanDerWaalsContact C-N 3.3Å; L90-I92 PolarHBondContact O-N 2.76Å; L90-A93 PolarHBondContact O-N 3.19Å; L90-T97 HydrophobicContact CD2-CG2 4.03Å; L90-T97 HydrophobicContact CG-CG2 4.09Å; L90-I98 HydrophobicContact CD2-CB 3.94Å; L90-I98 HydrophobicContact CD2-CD1 3.83Å; L90-I98 HydrophobicContact CD2-CG1 4.48Å; L90-V101 HydrophobicContact CD1-CG2 4.32Å; L90-V101 HydrophobicContact CD2-CG2 4.43Å
91S93.6Very high92.6Very high1 Ų151.8 Ų51.81%0.00728%0.282CS..Hα-helixtrans-65.2-34.1-179.4-58.70000112.4K63 R64 I87 E88 A93K63-S91 VanDerWaalsContact CD-O 3.23Å; K63-S91 WeakPolarHBondContact CD-O 3.35Å; R64-S91 WeakPolarHBondContact CA-OG 3.37Å; R64-S91 PolarHBondContact N-OG 2.87Å; I87-S91 WeakPolarHBondContact O-CB 3.32Å; I87-S91 PolarHBondContact O-N 2.97Å; I87-S91 PolarHBondContact O-OG 3.37Å; E88-S91 PolarHBondContact O-N 3.23Å; E88-S91 VanDerWaalsContact O-N 3.1Å; S91-A93 VanDerWaalsContact C-N 3.27Å
92I94.1Very high92.7Very high101 Ų10146 Ų4652%0.51825%0.254SS..THydrogen-bonded Turntrans-78.4-8.8174.7-64.4168.4000112.2I60 E88 L90I60-I92 HydrophobicContact CD1-CG1 4.39Å; I60-I92 HydrophobicContact CG2-CG1 4.24Å; E88-I92 HydrophobicContact CG-CD1 3.84Å; E88-I92 WeakPolarHBondContact O-CG1 3.36Å; E88-I92 PolarHBondContact O-N 3.13Å; L90-I92 VanDerWaalsContact C-N 3.3Å; L90-I92 PolarHBondContact O-N 2.76Å
93A91.8Very high92.6Very high28 Ų2848 Ų4823%0.23127%0.265CS..THydrogen-bonded Turntrans63.639.6-173.400000113.9A28 S89 L90 S91 P95A28-A93 HydrophobicContact CB-CB 4.42Å; A28-A93 WeakPolarHBondContact O-CB 3.39Å; S89-A93 PolarHBondContact O-N 3.5Å; L90-A93 PolarHBondContact O-N 3.19Å; S91-A93 VanDerWaalsContact C-N 3.27Å; A93-P95 WeakPolarHBondContact O-CD 3.38Å
94K92.4Very high92.5Very high121 Ų12149.8 Ų49.853%0.52627%0.27SS..  trans-65.3117.6178.4-175.5178.7-177.7176.20111S89 T97S89-K94 VanDerWaalsContact O-CB 3.27Å; S89-K94 WeakPolarHBondContact O-CB 3.49Å; S89-K94 PolarHBondContact O-N 3.3Å; K94-T97 VanDerWaalsContact O-CB 3.28Å; K94-T97 WeakPolarHBondContact O-CB 3.49Å; K94-T97 PolarHBondContact O-N 2.92Å; K94-T97 PolarHBondContact O-OG1 2.88Å
95P88.9Confident92.4Very high104 Ų10446.1 Ų46.168%0.67525%0.25SS*.THydrogen-bonded Turntrans-62.3150.2-177.827.2-35.3000111.6A93 T97A93-P95 WeakPolarHBondContact O-CD 3.38Å; P95-T97 PolarHBondContact O-N 3.47Å
96G89.5Confident92.1Very high21 Ų2143 Ų4322%0.21623%0.229CC..THydrogen-bonded Turntrans76.6-5.7-174.100000115.1E99 K100G96-E99 VanDerWaalsContact CA-CD 3.5Å; G96-E99 WeakPolarHBondContact CA-OE2 3.29Å; G96-E99 VanDerWaalsContact N-CD 3.29Å; G96-E99 PolarHBondContact N-OE1 3.4Å; G96-E99 VanDerWaalsContact N-OE1 3.14Å; G96-E99 PolarHBondContact N-OE2 3.37Å; G96-K100 VanDerWaalsContact O-CD 3.29Å; G96-K100 WeakPolarHBondContact O-CD 2.97Å; G96-K100 WeakPolarHBondContact O-CE 3.15Å; G96-K100 WeakPolarHBondContact O-CG 3.31Å
97T92.9Very high91.8Very high21 Ų2144 Ų4413%0.12924%0.236CC..Hα-helixtrans-88.9-46.2177.4-460000111.8V86 L90 K94 P95 E99 K100 V101V86-T97 HydrophobicContact CG1-CG2 4.17Å; L90-T97 HydrophobicContact CD2-CG2 4.03Å; L90-T97 HydrophobicContact CG-CG2 4.09Å; K94-T97 VanDerWaalsContact O-CB 3.28Å; K94-T97 WeakPolarHBondContact O-CB 3.49Å; K94-T97 PolarHBondContact O-N 2.92Å; K94-T97 PolarHBondContact O-OG1 2.88Å; P95-T97 PolarHBondContact O-N 3.47Å; T97-E99 VanDerWaalsContact C-N 3.31Å; T97-E99 PolarHBondContact N-OE2 2.88Å; T97-E99 PolarHBondContact O-N 2.85Å; T97-K100 PolarHBondContact O-N 3.33Å; T97-V101 WeakPolarHBondContact O-CG2 3.33Å; T97-V101 PolarHBondContact O-N 2.87Å
98I93.4Very high91.4Very high5 Ų546.5 Ų46.53%0.02625%0.247CC..Hα-helixtrans-68.4-35.1-176.8-177.862.2000111.4I27 A28 F31 M37 W67 L90 V101 L102I27-I98 HydrophobicContact CG1-CG2 4.16Å; I27-I98 HydrophobicContact CG2-CG2 4.08Å; A28-I98 HydrophobicContact CB-CG2 4.18Å; F31-I98 HydrophobicContact CB-CD1 3.69Å; F31-I98 HydrophobicContact CB-CG1 3.74Å; F31-I98 HydrophobicContact CD1-CD1 3.94Å; F31-I98 HydrophobicContact CD1-CG1 4.33Å; F31-I98 HydrophobicContact CG-CD1 4.06Å; F31-I98 HydrophobicContact CG-CG1 4.06Å; M37-I98 HydrophobicContact CE-CD1 3.66Å; W67-I98 HydrophobicContact CH2-CD1 4.03Å; W67-I98 HydrophobicContact CZ2-CD1 4.31Å; L90-I98 HydrophobicContact CD2-CB 3.94Å; L90-I98 HydrophobicContact CD2-CD1 3.83Å; L90-I98 HydrophobicContact CD2-CG1 4.48Å; I98-V101 PolarHBondContact O-N 3.31Å; I98-L102 HydrophobicContact CD1-CD1 4.34Å; I98-L102 HydrophobicContact CD1-CG 4.19Å; I98-L102 HydrophobicContact CG1-CD1 3.81Å; I98-L102 HydrophobicContact CG1-CG 4.15Å; I98-L102 WeakPolarHBondContact O-CB 3.41Å; I98-L102 VanDerWaalsContact O-CG 3.32Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 3.46Å
99E92.1Very high91Very high13 Ų1342.1 Ų42.16%0.06123%0.226CC..Hα-helixtrans-63.5-44.1-179.8-56.885.9157.900110M3 L8 L11 G96 T97 L102 L103M3-E99 HydrophobicContact CE-CB 3.73Å; M3-E99 HydrophobicContact SD-CB 4.29Å; L8-E99 HydrophobicContact CD1-CB 4.08Å; L8-E99 HydrophobicContact CD1-CG 3.71Å; L11-E99 HydrophobicContact CD2-CB 4.32Å; L11-E99 WeakPolarHBondContact CD2-O 3.35Å; G96-E99 VanDerWaalsContact CA-CD 3.5Å; G96-E99 WeakPolarHBondContact CA-OE2 3.29Å; G96-E99 VanDerWaalsContact N-CD 3.29Å; G96-E99 PolarHBondContact N-OE1 3.4Å; G96-E99 VanDerWaalsContact N-OE1 3.14Å; G96-E99 PolarHBondContact N-OE2 3.37Å; T97-E99 VanDerWaalsContact C-N 3.31Å; T97-E99 PolarHBondContact N-OE2 2.88Å; T97-E99 PolarHBondContact O-N 2.85Å; E99-L102 PolarHBondContact O-N 2.82Å; E99-L103 WeakPolarHBondContact O-CB 3.32Å; E99-L103 PolarHBondContact O-N 3.29Å
100K91.2Very high90.5Very high101 Ų10144.7 Ų44.744%0.43924%0.235SC..Hα-helixtrans-62.7-44.3173.1-68.4174.7-173.8178.70112M3 G96 T97 L103 L104M3-K100 HydrophobicContact CE-CG 3.96Å; M3-K100 HydrophobicContact SD-CD 4.43Å; M3-K100 HydrophobicContact SD-CG 3.44Å; M3-K100 WeakPolarHBondContact SD-CG 3.47Å; G96-K100 VanDerWaalsContact O-CD 3.29Å; G96-K100 WeakPolarHBondContact O-CD 2.97Å; G96-K100 WeakPolarHBondContact O-CE 3.15Å; G96-K100 WeakPolarHBondContact O-CG 3.31Å; T97-K100 PolarHBondContact O-N 3.33Å; K100-L103 PolarHBondContact O-N 3.42Å; K100-L104 VanDerWaalsContact O-CG 3.31Å; K100-L104 WeakPolarHBondContact O-CG 3.32Å; K100-L104 PolarHBondContact O-N 3.14Å
101V92.5Very high89.8Confident6 Ų650.9 Ų50.94%0.03626%0.258CS..Hα-helixtrans-66.5-43179.5172.40000111.1M37 F80 L82 V86 L90 T97 I98 L104 L105M37-V101 HydrophobicContact CE-CG1 4Å; F80-V101 HydrophobicContact CE1-CG1 4.31Å; F80-V101 HydrophobicContact CZ-CG1 4.32Å; L82-V101 HydrophobicContact CD1-CG1 4.28Å; L82-V101 HydrophobicContact CD2-CG1 4.29Å; L82-V101 HydrophobicContact CD2-CG2 4Å; V86-V101 HydrophobicContact CG1-CG2 4Å; L90-V101 HydrophobicContact CD1-CG2 4.32Å; L90-V101 HydrophobicContact CD2-CG2 4.43Å; T97-V101 WeakPolarHBondContact O-CG2 3.33Å; T97-V101 PolarHBondContact O-N 2.87Å; I98-V101 PolarHBondContact O-N 3.31Å; V101-L104 PolarHBondContact O-N 3.45Å; V101-L105 WeakPolarHBondContact O-CB 3.31Å; V101-L105 PolarHBondContact O-N 3.06Å
102L91.2Very high88.8Confident0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-63-40.8175.1-77.6169000112L11 V15 I27 F31 M37 I98 E99 L105 R106L11-L102 HydrophobicContact CD1-CB 4.16Å; L11-L102 HydrophobicContact CD2-CB 4.05Å; L11-L102 HydrophobicContact CG-CB 4.44Å; V15-L102 HydrophobicContact CG2-CD1 4.24Å; V15-L102 HydrophobicContact CG2-CD2 4.44Å; I27-L102 HydrophobicContact CD1-CD1 4.07Å; I27-L102 HydrophobicContact CG1-CD1 4.12Å; F31-L102 HydrophobicContact CD1-CD2 4.49Å; F31-L102 HydrophobicContact CE1-CD2 3.97Å; M37-L102 HydrophobicContact CE-CD2 3.62Å; M37-L102 HydrophobicContact CE-CG 4Å; M37-L102 HydrophobicContact SD-CD2 3.92Å; I98-L102 HydrophobicContact CD1-CD1 4.34Å; I98-L102 HydrophobicContact CD1-CG 4.19Å; I98-L102 HydrophobicContact CG1-CD1 3.81Å; I98-L102 HydrophobicContact CG1-CG 4.15Å; I98-L102 WeakPolarHBondContact O-CB 3.41Å; I98-L102 VanDerWaalsContact O-CG 3.32Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 3.46Å; E99-L102 PolarHBondContact O-N 2.82Å; L102-L105 PolarHBondContact O-N 3.49Å; L102-R106 WeakPolarHBondContact O-CB 3.33Å; L102-R106 PolarHBondContact O-N 3.23Å
103L89.8Confident87.8Confident62 Ų6252.4 Ų52.433%0.32527%0.269SS..Hα-helixtrans-63.8-49.5176.8-174.265.9000111.5L11 E99 K100 L105 R106 T107L11-L103 HydrophobicContact CD2-CB 4.41Å; E99-L103 WeakPolarHBondContact O-CB 3.32Å; E99-L103 PolarHBondContact O-N 3.29Å; K100-L103 PolarHBondContact O-N 3.42Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 3.23Å; L103-R106 PolarHBondContact O-N 2.92Å; L103-T107 PolarHBondContact O-N 3.31Å; L103-T107 VanDerWaalsContact O-N 3.15Å; L103-T107 PolarHBondContact O-OG1 3.42Å
104L89.9Confident86.7Confident98 Ų9855 Ų5551%0.51328%0.283SS..Hα-helixtrans-59.7-41.3175.2-70.7171.6000111.8F80 K100 V101 T107 K108F80-L104 HydrophobicContact CE2-CB 3.96Å; F80-L104 HydrophobicContact CE2-CD1 4.2Å; F80-L104 HydrophobicContact CZ-CB 4.17Å; K100-L104 VanDerWaalsContact O-CG 3.31Å; K100-L104 WeakPolarHBondContact O-CG 3.32Å; K100-L104 PolarHBondContact O-N 3.14Å; V101-L104 PolarHBondContact O-N 3.45Å; L104-T107 PolarHBondContact O-N 3.13Å; L104-K108 VanDerWaalsContact O-CG 3.31Å; L104-K108 WeakPolarHBondContact O-CG 3.34Å; L104-K108 PolarHBondContact O-N 2.88Å; L104-K108 VanDerWaalsContact O-N 3.09Å
105L90.5Very high85.4Confident0 Ų053.8 Ų53.80%028%0.282CS..Hα-helixtrans-66.5-42.5178.9-173.566.1000111.7M37 M41 F75 L78 F80 V101 L102 L103 T107 K108 I109M37-L105 HydrophobicContact CE-CD2 4.16Å; M37-L105 HydrophobicContact SD-CD2 3.32Å; M37-L105 WeakPolarHBondContact SD-CD2 3.27Å; M41-L105 HydrophobicContact CG-CD2 4.34Å; M41-L105 HydrophobicContact SD-CD1 3.74Å; M41-L105 HydrophobicContact SD-CD2 3.78Å; M41-L105 HydrophobicContact SD-CG 4.05Å; F75-L105 HydrophobicContact CD1-CD1 4.27Å; F75-L105 HydrophobicContact CE1-CD1 3.94Å; F75-L105 HydrophobicContact CE1-CD2 4.29Å; L78-L105 HydrophobicContact CD1-CD1 3.6Å; F80-L105 HydrophobicContact CD1-CD1 4.37Å; V101-L105 WeakPolarHBondContact O-CB 3.31Å; V101-L105 PolarHBondContact O-N 3.06Å; L102-L105 PolarHBondContact O-N 3.49Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 3.23Å; L105-T107 PolarHBondContact O-N 3.24Å; L105-K108 WeakPolarHBondContact O-CB 3.47Å; L105-K108 PolarHBondContact O-N 3.15Å; L105-K108 VanDerWaalsContact O-N 3.13Å; L105-I109 HydrophobicContact CD1-CD1 4.49Å; L105-I109 HydrophobicContact CD2-CD1 4.38Å; L105-I109 HydrophobicContact CG-CD1 3.83Å; L105-I109 HydrophobicContact CG-CG1 4.36Å; L105-I109 VanDerWaalsContact O-CG1 3.27Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 2.83Å
106R88.8Confident83.8Confident48 Ų4854.1 Ų54.118%0.18128%0.278CS..Hα-helixtrans-56.3-51.4174.4175.6-177.6165.6-168.2-0.8111D10 W14 L102 L103 K108 I109 E110D10-R106 IonicContact OD2-CZ 3.67Å; D10-R106 IonicContact OD2-NH1 2.63Å; D10-R106 PolarHBondContact OD2-NH1 3.4Å; D10-R106 IonicContact OD2-NH2 3.05Å; D10-R106 PolarHBondContact OD2-NH2 3.4Å; W14-R106 HydrophobicContact CD2-CG 4.15Å; W14-R106 HydrophobicContact CE3-CB 4.4Å; W14-R106 HydrophobicContact CH2-CB 3.99Å; W14-R106 HydrophobicContact CH2-CG 4.43Å; W14-R106 HydrophobicContact CZ2-CB 4.07Å; W14-R106 HydrophobicContact CZ2-CG 4.04Å; W14-R106 HydrophobicContact CZ3-CB 4.15Å; L102-R106 WeakPolarHBondContact O-CB 3.33Å; L102-R106 PolarHBondContact O-N 3.23Å; L103-R106 PolarHBondContact O-N 2.92Å; R106-K108 PolarHBondContact O-N 3.24Å; R106-I109 PolarHBondContact O-N 3.02Å; R106-I109 VanDerWaalsContact O-N 3.13Å; R106-E110 HydrophobicContact CG-CG 4.33Å; R106-E110 WeakPolarHBondContact CG-OE1 3.49Å; R106-E110 IonicContact CZ-OE1 2.75Å; R106-E110 IonicContact NE-OE1 3.29Å; R106-E110 PolarHBondContact NE-OE1 3.47Å; R106-E110 IonicContact NH2-OE1 3.94Å; R106-E110 PolarHBondContact NH2-OE1 3.09Å; R106-E110 WeakPolarHBondContact O-CG 3.38Å; R106-E110 PolarHBondContact O-N 2.82Å
107T87Confident82.1Confident65 Ų6560.8 Ų60.840%0.39930%0.301SS..Hα-helixtrans-61-31177.7-51.70000112.7L103 L104 L105 R111L103-T107 PolarHBondContact O-N 3.31Å; L103-T107 VanDerWaalsContact O-N 3.15Å; L103-T107 PolarHBondContact O-OG1 3.42Å; L104-T107 PolarHBondContact O-N 3.13Å; L105-T107 PolarHBondContact O-N 3.24Å; T107-R111 PolarHBondContact O-N 3.11Å
108K85.9Confident80.2Confident55 Ų5561.1 Ų61.124%0.23931%0.308CS..Hα-helixtrans-72.1-44.4173.5-74.4-79.6-170.6159.80112.3L78 N79 L104 L105 R106 R111 M112L78-K108 PolarHBondContact O-NZ 3.25Å; N79-K108 PolarHBondContact O-NZ 2.78Å; L104-K108 VanDerWaalsContact O-CG 3.31Å; L104-K108 WeakPolarHBondContact O-CG 3.34Å; L104-K108 PolarHBondContact O-N 2.88Å; L104-K108 VanDerWaalsContact O-N 3.09Å; L105-K108 WeakPolarHBondContact O-CB 3.47Å; L105-K108 PolarHBondContact O-N 3.15Å; L105-K108 VanDerWaalsContact O-N 3.13Å; R106-K108 PolarHBondContact O-N 3.24Å; K108-R111 PolarHBondContact O-N 2.85Å; K108-M112 PolarHBondContact O-N 3.16Å; K108-M112 VanDerWaalsContact O-N 3.11Å
109I86.1Confident78.3Confident3 Ų367.6 Ų67.62%0.01534%0.336CS..Hα-helixtrans-60.6-51.6176.1-67.9161.4000110W14 M41 F44 F45 L105 R106 R111 M112 V113W14-I109 HydrophobicContact CH2-CD1 4Å; W14-I109 HydrophobicContact CZ2-CD1 4.12Å; M41-I109 HydrophobicContact SD-CD1 4.16Å; M41-I109 HydrophobicContact SD-CG1 4.46Å; F44-I109 HydrophobicContact CB-CG2 3.99Å; F44-I109 HydrophobicContact CD1-CG2 3.69Å; F44-I109 HydrophobicContact CD2-CD1 3.78Å; F44-I109 HydrophobicContact CD2-CG1 4.48Å; F44-I109 HydrophobicContact CD2-CG2 3.96Å; F44-I109 HydrophobicContact CE1-CG2 4.13Å; F44-I109 HydrophobicContact CE2-CD1 4.08Å; F44-I109 HydrophobicContact CE2-CG2 4.38Å; F44-I109 HydrophobicContact CG-CD1 4.44Å; F44-I109 HydrophobicContact CG-CG2 3.59Å; F44-I109 HydrophobicContact CZ-CG2 4.46Å; F45-I109 HydrophobicContact CE2-CG1 4.12Å; F45-I109 HydrophobicContact CE2-CG2 4.41Å; L105-I109 HydrophobicContact CD1-CD1 4.49Å; L105-I109 HydrophobicContact CD2-CD1 4.38Å; L105-I109 HydrophobicContact CG-CD1 3.83Å; L105-I109 HydrophobicContact CG-CG1 4.36Å; L105-I109 VanDerWaalsContact O-CG1 3.27Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 2.83Å; R106-I109 PolarHBondContact O-N 3.02Å; R106-I109 VanDerWaalsContact O-N 3.13Å; I109-R111 VanDerWaalsContact C-N 3.3Å; I109-R111 PolarHBondContact O-N 3.1Å; I109-M112 PolarHBondContact O-N 3.2Å; I109-M112 VanDerWaalsContact O-N 3.1Å; I109-V113 HydrophobicContact CG2-CG2 4Å; I109-V113 WeakPolarHBondContact O-CB 3.46Å; I109-V113 WeakPolarHBondContact O-CG2 3.29Å; I109-V113 PolarHBondContact O-N 3.06Å
110E83.9Confident76.3Confident81 Ų8176.1 Ų76.138%0.37937%0.374SS..Hα-helixtrans-56.5-42.3-178.8-73170.7168.100111.9R106 T114R106-E110 HydrophobicContact CG-CG 4.33Å; R106-E110 WeakPolarHBondContact CG-OE1 3.49Å; R106-E110 IonicContact CZ-OE1 2.75Å; R106-E110 IonicContact NE-OE1 3.29Å; R106-E110 PolarHBondContact NE-OE1 3.47Å; R106-E110 IonicContact NH2-OE1 3.94Å; R106-E110 PolarHBondContact NH2-OE1 3.09Å; R106-E110 WeakPolarHBondContact O-CG 3.38Å; R106-E110 PolarHBondContact O-N 2.82Å; E110-T114 WeakPolarHBondContact O-CB 3.36Å; E110-T114 PolarHBondContact O-N 2.98Å; E110-T114 PolarHBondContact O-OG1 3.43Å
111R80.3Confident74.3Confident135 Ų13573.7 Ų73.751%0.50936%0.362SS..Hα-helixtrans-61.5-51.4173.8-171.7-179.7-69.2111.2-4.2111.8T107 K108 I109 V113 T114 D115T107-R111 PolarHBondContact O-N 3.11Å; K108-R111 PolarHBondContact O-N 2.85Å; I109-R111 VanDerWaalsContact C-N 3.3Å; I109-R111 PolarHBondContact O-N 3.1Å; R111-V113 PolarHBondContact O-N 2.84Å; R111-T114 WeakPolarHBondContact O-CB 3.27Å; R111-T114 PolarHBondContact O-N 2.83Å; R111-T114 VanDerWaalsContact O-N 3.15Å; R111-D115 PolarHBondContact O-N 3.07Å
112M72.4Confident72Confident44 Ų4481.1 Ų81.122%0.21740%0.402CS..Hα-helixtrans-70.3-27.9-176.3-71-170.774.300114.4F45 L78 K108 I109 T114F45-M112 HydrophobicContact CE1-CB 4.42Å; F45-M112 HydrophobicContact CZ-CB 3.88Å; L78-M112 HydrophobicContact CB-SD 3.98Å; L78-M112 HydrophobicContact CD2-CE 4.19Å; L78-M112 HydrophobicContact CD2-SD 3.46Å; L78-M112 WeakPolarHBondContact CD2-SD 3.32Å; L78-M112 HydrophobicContact CG-SD 4.32Å; K108-M112 PolarHBondContact O-N 3.16Å; K108-M112 VanDerWaalsContact O-N 3.11Å; I109-M112 PolarHBondContact O-N 3.2Å; I109-M112 VanDerWaalsContact O-N 3.1Å; M112-T114 VanDerWaalsContact C-N 3.35Å
113V73.5Confident69.8Low89 Ų8988.4 Ų88.454%0.53943%0.43SS..Hα-helixtrans-70.2-34.4172171.20000110.7I109 R111I109-V113 HydrophobicContact CG2-CG2 4Å; I109-V113 WeakPolarHBondContact O-CB 3.46Å; I109-V113 WeakPolarHBondContact O-CG2 3.29Å; I109-V113 PolarHBondContact O-N 3.06Å; R111-V113 PolarHBondContact O-N 2.84Å
114T69.1Low67.6Low84 Ų8493.6 Ų93.652%0.51545%0.453SS..Hα-helixtrans-71.8-29.5179-55.90000113.1E110 R111 M112 D116E110-T114 WeakPolarHBondContact O-CB 3.36Å; E110-T114 PolarHBondContact O-N 2.98Å; E110-T114 PolarHBondContact O-OG1 3.43Å; R111-T114 WeakPolarHBondContact O-CB 3.27Å; R111-T114 PolarHBondContact O-N 2.83Å; R111-T114 VanDerWaalsContact O-N 3.15Å; M112-T114 VanDerWaalsContact C-N 3.35Å; T114-D116 PolarHBondContact O-N 3.32Å
115D63.5Low65.7Low94 Ų9492.2 Ų92.250%0.50345%0.45SS..THydrogen-bonded Turntrans-82.7-3.5-172.7-70.9-24.9000115.4R111 K117R111-D115 PolarHBondContact O-N 3.07Å; D115-K117 WeakPolarHBondContact O-CG 3.21Å; D115-K117 PolarHBondContact O-N 3.13Å
116D57.3Low63.7Low111 Ų11195.4 Ų95.459%0.59447%0.465SS*.  trans47.711-173.4-159.725.4000116.4T114 G118 K119T114-D116 PolarHBondContact O-N 3.32Å; D116-G118 PolarHBondContact O-N 3.36Å; D116-G118 VanDerWaalsContact O-N 3.1Å; D116-K119 IonicContact OD1-NZ 2.87Å; D116-K119 PolarHBondContact OD1-NZ 3.36Å; D116-K119 IonicContact OD2-NZ 3.24Å
117K53.6Low61.9Low161 Ų16197.3 Ų97.370%0.749%0.491SS*.G310 helixtrans-73.33.4173.7-62.5-168-179.2-177.30113.5D115 K119 F120 Y121D115-K117 WeakPolarHBondContact O-CG 3.21Å; D115-K117 PolarHBondContact O-N 3.13Å; K117-K119 PolarHBondContact O-N 2.97Å; K117-K119 VanDerWaalsContact O-N 3.13Å; K117-F120 PolarHBondContact O-N 3.1Å; K117-Y121 WeakPolarHBondContact O-CE1 3.5Å
118G53.1Low60.4Low28 Ų28100.7 Ų100.729%0.28951%0.506SS..G310 helixtrans-68.5-5.7-177.500000116.3D116 Y121D116-G118 PolarHBondContact O-N 3.36Å; D116-G118 VanDerWaalsContact O-N 3.1Å; G118-Y121 WeakPolarHBondContact CA-OH 3.31Å; G118-Y121 PolarHBondContact O-OH 2.98Å; G118-Y121 VanDerWaalsContact O-OH 3.07Å
119K53.2Low58.7Low141 Ų141106 Ų10661%0.61353%0.525SS*.G310 helixtrans-98.5-13.3-178.6-70175.8-170.9113.30114.6D116 K117D116-K119 IonicContact OD1-NZ 2.87Å; D116-K119 PolarHBondContact OD1-NZ 3.36Å; D116-K119 IonicContact OD2-NZ 3.24Å; K117-K119 PolarHBondContact O-N 2.97Å; K117-K119 VanDerWaalsContact O-N 3.13Å
120F50.4Low56.7Low193 Ų193113.7 Ų113.785%0.84656%0.555SS**  trans-96.5-0.9-157.8-128.9-87.1000117.2K117 D122K117-F120 PolarHBondContact O-N 3.1Å; F120-D122 PolarHBondContact O-N 3.14Å
121Y47.9Very low54.7Low50 Ų50115.4 Ų115.420%0.19657%0.573CS.*  trans-9392.3175.724.8-87000110.1F45 K47 F48 K117 G118F45-Y121 WeakPolarHBondContact CD1-OH 3.48Å; K47-Y121 HydrophobicContact CB-CD2 4.43Å; K47-Y121 HydrophobicContact CB-CE2 4.24Å; K47-Y121 HydrophobicContact CD-CD2 4.39Å; K47-Y121 HydrophobicContact CD-CE2 4.31Å; F48-Y121 HydrophobicContact CD1-CD2 4.08Å; F48-Y121 HydrophobicContact CD1-CE2 4.06Å; F48-Y121 HydrophobicContact CD2-CE2 4.42Å; F48-Y121 AromaticContact CE1-CD1 3.97Å; F48-Y121 HydrophobicContact CE1-CD1 3.97Å; F48-Y121 AromaticContact CE1-CD2 3.37Å; F48-Y121 HydrophobicContact CE1-CD2 3.37Å; F48-Y121 HydrophobicContact CE1-CE1 4.04Å; F48-Y121 AromaticContact CE1-CE2 3.43Å; F48-Y121 HydrophobicContact CE1-CE2 3.43Å; F48-Y121 VanDerWaalsContact CE1-CE2 3.43Å; F48-Y121 AromaticContact CE1-CG 3.62Å; F48-Y121 HydrophobicContact CE1-CG 3.62Å; F48-Y121 AromaticContact CE1-CZ 3.75Å; F48-Y121 HydrophobicContact CE2-CE1 4.1Å; F48-Y121 AromaticContact CE2-CE2 3.83Å; F48-Y121 HydrophobicContact CE2-CE2 3.83Å; F48-Y121 AromaticContact CE2-CZ 3.53Å; F48-Y121 WeakPolarHBondContact CE2-OH 3.5Å; F48-Y121 AromaticContact CZ-CD1 3.7Å; F48-Y121 HydrophobicContact CZ-CD1 3.7Å; F48-Y121 AromaticContact CZ-CD2 3.68Å; F48-Y121 HydrophobicContact CZ-CD2 3.68Å; F48-Y121 AromaticContact CZ-CE1 3.35Å; F48-Y121 HydrophobicContact CZ-CE1 3.35Å; F48-Y121 AromaticContact CZ-CE2 3.31Å; F48-Y121 HydrophobicContact CZ-CE2 3.31Å; F48-Y121 AromaticContact CZ-CG 3.83Å; F48-Y121 HydrophobicContact CZ-CG 3.83Å; F48-Y121 AromaticContact CZ-CZ 3.1Å; F48-Y121 WeakPolarHBondContact CZ-OH 3.31Å; K117-Y121 WeakPolarHBondContact O-CE1 3.5Å; G118-Y121 WeakPolarHBondContact CA-OH 3.31Å; G118-Y121 PolarHBondContact O-OH 2.98Å; G118-Y121 VanDerWaalsContact O-OH 3.07Å
122D45.5Very low52.7Low162 Ų162117.2 Ų117.287%0.86659%0.587SS**  trans-63.7148.1163.9-166.312.9000110.5F120F120-D122 PolarHBondContact O-N 3.14Å
123Y44.8Very low51.4Low153 Ų153120.1 Ų120.160%0.662%0.618SS**  trans-103.1106.1-167.4-177.4-98.9000110.5P125Y123-P125 HydrophobicContact CD1-CB 4.5Å; Y123-P125 HydrophobicContact CD1-CG 4.05Å; Y123-P125 HydrophobicContact CE1-CB 3.92Å; Y123-P125 HydrophobicContact CE1-CG 3.9Å; Y123-P125 WeakPolarHBondContact O-CD 3.31Å
124Q43.9Very low49.5Very low171 Ų171127.6 Ų127.680%0.79964%0.637SS**  trans-80.6121.8155.8-72.2-151.3-58.700108.9
125P48.9Very low48.2Very low69 Ų69127 Ų12745%0.44865%0.647SS.*  trans-58.2144.9178.6-2534.9000113.4Y123 A127Y123-P125 HydrophobicContact CD1-CB 4.5Å; Y123-P125 HydrophobicContact CD1-CG 4.05Å; Y123-P125 HydrophobicContact CE1-CB 3.92Å; Y123-P125 HydrophobicContact CE1-CG 3.9Å; Y123-P125 WeakPolarHBondContact O-CD 3.31Å; P125-A127 PolarHBondContact O-N 2.87Å
126E49.1Very low47.3Very low67 Ų67128.5 Ų128.531%0.31366%0.659SS.*G310 helixtrans-68.3-5.5-177.3-156.3159.1-141.500113.9K73 D128 R129K73-E126 WeakPolarHBondContact CE-OE2 3.31Å; K73-E126 IonicContact NZ-OE1 3.79Å; K73-E126 IonicContact NZ-OE2 2.9Å; K73-E126 PolarHBondContact NZ-OE2 2.6Å; E126-D128 PolarHBondContact O-N 3.12Å; E126-R129 PolarHBondContact O-N 2.84Å
127A51Low46.8Very low88 Ų88131.1 Ų131.173%0.72767%0.667SS**G310 helixtrans-61-27.6176.400000113.7P125P125-A127 PolarHBondContact O-N 2.87Å
128D55.4Low46.4Very low135 Ų135130.4 Ų130.472%0.72267%0.671SS**G310 helixtrans-904-176.8-64.3-38000113.8E126E126-D128 PolarHBondContact O-N 3.12Å
129R50.2Low45.9Very low167 Ų167131.7 Ų131.763%0.6369%0.685SS**SBendtrans-102.2-4.5-167.4-107.8179.5-165.8-177.74117.8E126E126-R129 PolarHBondContact O-N 2.84Å
130Y43.4Very low45.5Very low164 Ų164130 Ų13064%0.64369%0.69SS**  trans-132.390177.9-80.9-82000111.3W72 H132W72-Y130 AromaticContact CH2-CE2 3.92Å; W72-Y130 HydrophobicContact CH2-CE2 3.92Å; W72-Y130 AromaticContact CH2-CZ 3.87Å; W72-Y130 WeakPolarHBondContact CH2-OH 3.4Å; W72-Y130 HydrophobicContact CZ3-CE2 4.31Å; W72-Y130 WeakPolarHBondContact CZ3-OH 3.44Å; Y130-H132 PolarHBondContact O-N 2.96Å
131P42Very low45.3Very low118 Ų118130 Ų13077%0.76669%0.69SS**  trans-77.629.4-176.332.5-36.6000114.5
132H38Very low44.9Very low172 Ų172133.1 Ų133.180%0.79672%0.719SS**  trans-138.879.7-171.6-79.1-2.8000115Y130Y130-H132 PolarHBondContact O-N 2.96Å
133A44.9Very low45.1Very low105 Ų105130.7 Ų130.787%0.86871%0.712SS**  trans-156.6119.4146.600000109.1
134R34.3Very low44.9Very low247 Ų247128.5 Ų128.593%0.93272%0.715SS**  trans-98.2149-173.9-53-179.4-158.5171.66.7111.9
135G42Very low44.6Very low71 Ų71128.1 Ų128.173%0.73271%0.71SS**  trans162.174.7171.400000110.2
136V44.4Very low44.2Very low125 Ų125134 Ų13476%0.75873%0.729SS**  62.287.682.3-172.10000113.3
137H46.9Very low43.9Very low166 Ų166135.4 Ų135.477%0.76975%0.746SS**  trans168.4108.9135.8-100.1-79.8000106.3
138D44.3Very low43.4Very low147 Ų147141.5 Ų141.579%0.78675%0.75SS**  58.5118.674.4-171.645.1000112.4
139G42.6Very low42.7Very low55 Ų55142 Ų14257%0.56775%0.752SS**  cis162.8162.9-300000110.3
140S46.6Very low42.4Very low104 Ų104142.3 Ų142.373%0.72776%0.759SS**  trans63.6140.3170.7-65.10000117.5
141K45.1Very low42.1Very low195 Ų195144.6 Ų144.685%0.84877%0.766SS**  cis-151152-0.6-102.3149.3-168.6172.50108.9
142S39.7Very low42.1Very low115 Ų115146.8 Ų146.880%0.80477%0.768SS**  trans-92.2-172.4-179.7-1400000111.3
143P50.1Low42.1Very low111 Ų111141.9 Ų141.972%0.72176%0.764SS**  trans-96.8-161.3-135.237.7-21.2000112.3
144V40.4Very low41.8Very low107 Ų107144.2 Ų144.265%0.64876%0.762SS**  163.5129127.6153.70000116
145K38.2Very low42.3Very low163 Ų163136.3 Ų136.371%0.70975%0.745SS**  trans72.1132.2149.7-81.2161.1-151.2160.80123.3
146K40.2Very low42.4Very low192 Ų192140.8 Ų140.884%0.83575%0.746SS**  trans73.9150.7135-71.6172.5-177.3-174.30117.1
147S42.5Very low42.2Very low96 Ų96139.7 Ų139.767%0.67174%0.744SS**  cis-172155.1-11.4172.90000109.9
148R40.1Very low42Very low217 Ų217139.9 Ų139.982%0.81975%0.75SS**  trans59.9103.2159.3-78.1165.980.7144.4-0.2119.7
149N40.3Very low41.9Very low144 Ų144138.7 Ų138.777%0.7775%0.75SS**  56.5126.6108.4-69.4-2.3000122.1
150K45Very low41.6Very low175 Ų175139.1 Ų139.176%0.76175%0.754SS**  98.4120.5125.9-97.5-172169.51740119.1
151R37.5Very low41.6Very low211 Ų211142.6 Ų142.680%0.79676%0.763SS**  trans69.4157.1143.9-69.4-174.7146.3-176.3-8116.4
152M40.8Very low41.5Very low164 Ų164144.2 Ų144.281%0.80876%0.764SS**  cis-169.4160.7-19.7-101.9-85.1-118.700106.1
153G38.7Very low42.5Very low69 Ų69143.6 Ų143.671%0.71176%0.757SS**  trans85.1109.5174.400000111.5
154N38.9Very low42.9Very low155 Ų155143.8 Ų143.883%0.82976%0.758SS**  cis69.9122.140.3-165.354.6000114.8
155S44Very low43.5Very low81 Ų81143.5 Ų143.557%0.56676%0.761SS**  trans95.5137.5175.3-49.30000114.6
156Q43.6Very low44.4Very low165 Ų165142.7 Ų142.777%0.77176%0.764SS**  cis-177.7-175.8-5-110.216672.500104.4
157S40.8Very low44.7Very low101 Ų101139 Ų13971%0.70675%0.753SS**  trans55.5101.7160.355.40000118.2
158L42.3Very low45Very low170 Ų170142 Ų14289%0.8976%0.756SS**  83.1156.688.3-76.8170.6000114
159P43.5Very low45.4Very low123 Ų123136.4 Ų136.480%0.79975%0.748SS**  trans-114.5168.1-132.742.1-36.8000115.1
160G35.7Very low45.7Very low63 Ų63136.4 Ų136.465%0.64975%0.746SS**  trans-171.8126164.900000114.9
161I47Very low45.6Very low177 Ų177139.1 Ų139.191%0.90875%0.752SS**  trans49129.9133.2-48.7169000117.7
162R42.4Very low45.8Very low229 Ų229139.5 Ų139.586%0.86476%0.755SS**  cis179.1156.8-18.4-139.9-152.7167.2-157.6-2.7104.8
163P61.5Low46.4Very low102 Ų102138 Ų13866%0.66276%0.757SS**  trans-100.2178.2-174.943.6-36.1000112.7
164P56.8Low46.6Very low116 Ų116138.1 Ų138.175%0.75376%0.758SS**  -114.4-157.576.143.5-41000111
165S54.6Low46.9Very low101 Ų101142.2 Ų142.271%0.70676%0.762SS**  cis-166.6160.79.442.30000107
166L55.6Low46.9Very low146 Ų146144.5 Ų144.576%0.76477%0.773SS**  cis-166.5152.2-8-126.360.2000103.9
167D46.7Very low46.7Very low115 Ų115141.8 Ų141.862%0.61577%0.772SS**  cis-158.9142.8-16.5-122.632000108.7
168H49.5Very low47Very low159 Ų159143.8 Ų143.874%0.73678%0.78SS**  59.1143.6104.6-74106.7000118.2
169P48.6Very low46.9Very low98 Ų98139.6 Ų139.664%0.63677%0.769SS**  cis-145.4-163.3-45.333.8-11.5000114.5
170I47.1Very low46.7Very low145 Ų145144 Ų14474%0.74477%0.77SS**  trans83.7128.7156.4-62.7172.6000116
171R41.1Very low46.7Very low232 Ų232147.2 Ų147.288%0.87577%0.768SS**  cis-151.4146.84.1-136.3168.4-175168.7-1.9111.7
172Y43.5Very low46.4Very low219 Ų219145.8 Ų145.886%0.85976%0.758SS**  trans-96.6-158.2161.7-48.2-97000109.4
173P52.5Low46.6Very low132 Ų132140.2 Ų140.286%0.85775%0.753SS**  cis-139.3176.2-1630-7.3000116.3
174G43.1Very low45.8Very low71 Ų71140.1 Ų140.173%0.73275%0.753SS**  trans173.980.9160.600000112.6
175R44.4Very low44.9Very low242 Ų242142.8 Ų142.891%0.91376%0.761SS**  53.7129.595.7-109.4-165.5-177.1-1582.4113.4
176T45.1Very low44.2Very low129 Ų129141.6 Ų141.679%0.79176%0.764SS**  cis-144.4166.725.837.30000113.7
177S39.9Very low43.5Very low107 Ų107143.4 Ų143.475%0.74877%0.769SS**  trans-119.5145.7178.456.40000112.5
178V46.5Very low43.5Very low143 Ų143144.5 Ų144.587%0.86778%0.779SS**  trans-153.4101147-101.90000105.8
179A40.8Very low42.8Very low82 Ų82144.6 Ų144.668%0.67878%0.78SS**  71.4110.376.800000111.7
180R38.7Very low42.9Very low217 Ų217146.2 Ų146.282%0.81979%0.788SS**  69.5127.884.5-110.2-172.5173.8177.60.2109.8
181E34.9Very low42.3Very low130 Ų130145.3 Ų145.361%0.60778%0.784SS**  cis-165.6159.648.2-77.2-140.3147.500113.8
182H41.1Very low42.6Very low147 Ų147141.9 Ų141.968%0.68178%0.783SS**  trans36.3147.2142.4-49123.3000121.3
183S46Very low42.8Very low111 Ų111138.8 Ų138.878%0.77678%0.776SS**  cis-16315625.6-1580000112.2
184P45.6Very low42.4Very low101 Ų101144.6 Ų144.666%0.65678%0.781SS**  trans-105.4142.9176.737.3-30000114.2
185N37.6Very low42.7Very low171 Ų171146.3 Ų146.391%0.91478%0.782SS**  166.8132.2130-88.8-29.2000112
186G40.2Very low42.7Very low76 Ų76144.5 Ų144.578%0.78478%0.781SS**  trans-173.1111.6172.700000111
187H40.1Very low42.2Very low184 Ų184144.6 Ų144.685%0.85279%0.786SS**  trans-56147.3174.4-94.2-108.5000112.6
188V46.9Very low42Very low138 Ų138145.6 Ų145.684%0.83679%0.787SS**  -157.5150.5115.4167.60000108.6V190V188-V190 HydrophobicContact CG1-CG2 4.25Å
189H36Very low41.9Very low162 Ų162147.1 Ų147.175%0.7579%0.79SS**  trans-121.7118.4-169.8-173.9-67000109.9
190V49Very low41.9Very low132 Ų132148.6 Ų148.680%0.879%0.791SS**  trans-142.5132.4172.4-1710000110.8V188V188-V190 HydrophobicContact CG1-CG2 4.25Å
191N36Very low42.2Very low126 Ų126148.7 Ų148.767%0.67480%0.797SS**  trans-73.4152.9173.5-77.2-29.5000111.8
192D46.1Very low42.7Very low159 Ų159154.3 Ų154.385%0.8581%0.813SS**  -150.9154.6121.3-157.510.6000112.2
193Q47.5Very low43.1Very low154 Ų154152.7 Ų152.772%0.7282%0.818SS**  trans-111.2133.6-175.3-55170.648.100110.1
194R44.7Very low43.8Very low254 Ų254156.6 Ų156.696%0.95882%0.824SS**  trans-149.3136.3147.7-143167.2-179.6-168.8-1.6115.9
195S49.5Very low45.3Very low108 Ų108161.1 Ų161.176%0.75583%0.829SS**  trans-89.8159.6-165.9-560000114.8
196K44.7Very low47.2Very low203 Ų203157.4 Ų157.488%0.88381%0.812SS**  trans-55.1153.2164.5-54.3167.2-179.2175.10111.7
197C33.6Very low49.3Very low132 Ų132157.7 Ų157.789%0.89280%0.8SS**  trans-159.3160140.8-118.20000113.5
198T36.9Very low51.4Low127 Ų127157.4 Ų157.478%0.77979%0.792SS**  trans-82.2147.9-165.341.50000114.8
199L43.7Very low53.3Low175 Ų175156 Ų15692%0.91678%0.783SS**  trans-91.4117.4178.3-178.863.9000111.5
200T40.7Very low55.7Low114 Ų114153.1 Ų153.170%0.69977%0.766SS**  trans-106.2154.9172.552.90000111.5R202T200-R202 PolarHBondContact O-N 2.72Å
201K44.8Very low57.6Low218 Ų218151.4 Ų151.495%0.94875%0.752SS**  trans-50.9126.4-172.5-59.8172.5-179.8178.10112.3
202R46.2Very low60.1Low249 Ų249149.4 Ų149.494%0.9474%0.739SS**  trans-108.8130.3169.7-104.4-174.6172.6-175.3-3111.4T200T200-R202 PolarHBondContact O-N 2.72Å
203S50Low62.2Low113 Ų113147.6 Ų147.679%0.7973%0.725SS**  trans-62.8147.9-178.5-169.20000112.8Y205S203-Y205 PolarHBondContact O-N 3.28Å
204E59.6Low64.3Low192 Ų192143.4 Ų143.490%0.89770%0.704SS**  trans-62.3122.7161.3-65172.3138.200108.7
205Y77.3Confident66.6Low197 Ų197135.7 Ų135.777%0.77368%0.681SS**  trans-144.6113.5171-169.3-92.4000108.7S203S203-Y205 PolarHBondContact O-N 3.28Å
206V77.8Confident68.7Low93 Ų93135.7 Ų135.756%0.56467%0.669SS**  trans-84.2125.5175.6179.70000108.3R208 Y210V206-R208 PolarHBondContact O-N 3.3Å; V206-Y210 HydrophobicContact CG1-CD1 3.87Å
207P85Confident71.1Confident81 Ų81130.5 Ų130.553%0.52665%0.648SS.*  trans-57.4128.9176.6-25.735.2000111.8V209 Y210 L211P207-V209 PolarHBondContact O-N 2.67Å; P207-Y210 WeakPolarHBondContact O-CB 3.22Å; P207-Y210 PolarHBondContact O-N 2.84Å; P207-L211 PolarHBondContact O-N 3.38Å
208R84Confident73.9Confident179 Ų179128.2 Ų128.268%0.67563%0.633SS**Hα-helixtrans-53.9-39-177.3-166.4-173-174.3-119.811.8113.1V206 Y210 L211 E212V206-R208 PolarHBondContact O-N 3.3Å; R208-Y210 VanDerWaalsContact C-N 3.31Å; R208-Y210 PolarHBondContact O-N 3.14Å; R208-L211 WeakPolarHBondContact O-CB 3.46Å; R208-L211 PolarHBondContact O-N 3.3Å; R208-L211 VanDerWaalsContact O-N 3.11Å; R208-E212 WeakPolarHBondContact CD-OE1 3.46Å; R208-E212 WeakPolarHBondContact CG-OE1 3.27Å; R208-E212 IonicContact CZ-OE1 3.59Å; R208-E212 IonicContact NE-OE1 2.81Å; R208-E212 PolarHBondContact NE-OE1 2.95Å; R208-E212 IonicContact NH1-OE1 3.62Å; R208-E212 PolarHBondContact NH1-OE1 3.12Å; R208-E212 IonicContact NH2-OE1 2.85Å; R208-E212 WeakPolarHBondContact O-CG 3.28Å; R208-E212 PolarHBondContact O-N 2.94Å
209V87.2Confident76.6Confident107 Ų107125.7 Ų125.765%0.64861%0.614SS**Hα-helixtrans-58.8-40.1177.4-177.60000112P207 E212 E213P207-V209 PolarHBondContact O-N 2.67Å; V209-E212 PolarHBondContact O-N 3.08Å; V209-E213 WeakPolarHBondContact O-CB 3.34Å; V209-E213 PolarHBondContact O-N 3.26Å
210Y84.7Confident79Confident103 Ų103120.5 Ų120.540%0.40459%0.589SS.*Hα-helixtrans-68.8-36.5176.9179.8-104.4000111.7V206 P207 R208 K214V206-Y210 HydrophobicContact CG1-CD1 3.87Å; P207-Y210 WeakPolarHBondContact O-CB 3.22Å; P207-Y210 PolarHBondContact O-N 2.84Å; R208-Y210 VanDerWaalsContact C-N 3.31Å; R208-Y210 PolarHBondContact O-N 3.14Å; Y210-K214 HydrophobicContact CD1-CG 4.38Å; Y210-K214 HydrophobicContact CE1-CG 4.09Å; Y210-K214 HydrophobicContact CE2-CG 4.36Å; Y210-K214 VanDerWaalsContact CZ-CE 3.49Å; Y210-K214 WeakPolarHBondContact O-CB 3.28Å; Y210-K214 WeakPolarHBondContact O-CG 3.46Å; Y210-K214 PolarHBondContact O-N 3.34Å; Y210-K214 WeakPolarHBondContact OH-CE 3.49Å
211L88.9Confident81.7Confident96 Ų96119.6 Ų119.650%0.50358%0.58SS.*Hα-helixtrans-66.7-42.2174-179.661.8000111.5P207 R208 K214 I215P207-L211 PolarHBondContact O-N 3.38Å; R208-L211 WeakPolarHBondContact O-CB 3.46Å; R208-L211 PolarHBondContact O-N 3.3Å; R208-L211 VanDerWaalsContact O-N 3.11Å; L211-K214 PolarHBondContact O-N 3.46Å; L211-I215 HydrophobicContact CD1-CD1 4.28Å; L211-I215 HydrophobicContact CD1-CG1 4.47Å; L211-I215 HydrophobicContact CG-CD1 4Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.47Å; L211-I215 PolarHBondContact O-N 3.49Å
212E90.1Very high84Confident84 Ų84113.1 Ų113.139%0.39356%0.555SS.*Hα-helixtrans-61.7-45.3174.9-72.9166.1-169.200111.7R208 V209 K214 I215 Q216R208-E212 WeakPolarHBondContact CD-OE1 3.46Å; R208-E212 WeakPolarHBondContact CG-OE1 3.27Å; R208-E212 IonicContact CZ-OE1 3.59Å; R208-E212 IonicContact NE-OE1 2.81Å; R208-E212 PolarHBondContact NE-OE1 2.95Å; R208-E212 IonicContact NH1-OE1 3.62Å; R208-E212 PolarHBondContact NH1-OE1 3.12Å; R208-E212 IonicContact NH2-OE1 2.85Å; R208-E212 WeakPolarHBondContact O-CG 3.28Å; R208-E212 PolarHBondContact O-N 2.94Å; V209-E212 PolarHBondContact O-N 3.08Å; E212-K214 VanDerWaalsContact C-N 3.33Å; E212-K214 PolarHBondContact O-N 3.07Å; E212-I215 PolarHBondContact O-N 3.39Å; E212-Q216 PolarHBondContact O-N 3.44Å
213E89.8Confident86.3Confident121 Ų121105.8 Ų105.857%0.56553%0.532SS*.Hα-helixtrans-59.5-42173.9-173.7-177.3-175.400111.8V209 Q216 Q217V209-E213 WeakPolarHBondContact O-CB 3.34Å; V209-E213 PolarHBondContact O-N 3.26Å; E213-Q216 PolarHBondContact O-N 3.24Å; E213-Q217 WeakPolarHBondContact O-CB 3.42Å; E213-Q217 PolarHBondContact O-N 2.78Å
214K91.2Very high88.6Confident65 Ų65103.5 Ų103.528%0.28351%0.513SS..Hα-helixtrans-68.7-36.5176.6-70.1-70.2161.4-164.70113.1Y210 L211 E212 Q217 C218Y210-K214 HydrophobicContact CD1-CG 4.38Å; Y210-K214 HydrophobicContact CE1-CG 4.09Å; Y210-K214 HydrophobicContact CE2-CG 4.36Å; Y210-K214 VanDerWaalsContact CZ-CE 3.49Å; Y210-K214 WeakPolarHBondContact O-CB 3.28Å; Y210-K214 WeakPolarHBondContact O-CG 3.46Å; Y210-K214 PolarHBondContact O-N 3.34Å; Y210-K214 WeakPolarHBondContact OH-CE 3.49Å; L211-K214 PolarHBondContact O-N 3.46Å; E212-K214 VanDerWaalsContact C-N 3.33Å; E212-K214 PolarHBondContact O-N 3.07Å; K214-Q217 PolarHBondContact O-N 2.97Å; K214-C218 PolarHBondContact O-N 3.18Å; K214-C218 PolarHBondContact O-SG 3.02Å
215I93.7Very high90.3Very high92 Ų9298.2 Ų98.247%0.47249%0.49SS..Hα-helixtrans-63.1-46172.3-70.9163.8000109.9L211 E212 Q217 C218 I219L211-I215 HydrophobicContact CD1-CD1 4.28Å; L211-I215 HydrophobicContact CD1-CG1 4.47Å; L211-I215 HydrophobicContact CG-CD1 4Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.47Å; L211-I215 PolarHBondContact O-N 3.49Å; E212-I215 PolarHBondContact O-N 3.39Å; I215-Q217 VanDerWaalsContact C-N 3.34Å; I215-Q217 PolarHBondContact O-N 2.81Å; I215-C218 WeakPolarHBondContact O-CB 3.4Å; I215-C218 PolarHBondContact O-N 2.86Å; I215-I219 HydrophobicContact CG2-CD1 4.19Å; I215-I219 WeakPolarHBondContact O-CG1 3.47Å; I215-I219 PolarHBondContact O-N 2.94Å
216Q93.7Very high91.2Very high109 Ų10994.1 Ų94.151%0.50948%0.478SS..Hα-helixtrans-62.7-40.7177.1-168.860.449.900112E212 E213 C218 I219 T220E212-Q216 PolarHBondContact O-N 3.44Å; E213-Q216 PolarHBondContact O-N 3.24Å; Q216-C218 VanDerWaalsContact C-N 3.33Å; Q216-C218 PolarHBondContact O-N 2.97Å; Q216-I219 PolarHBondContact O-N 2.83Å; Q216-T220 PolarHBondContact O-N 2.95Å; Q216-T220 VanDerWaalsContact O-N 3.09Å; Q216-T220 PolarHBondContact O-OG1 3.31Å
217Q93.3Very high92.1Very high93 Ų9394.3 Ų94.344%0.43548%0.475SS..Hα-helixtrans-60.1-41.8173.9-173.1173.424.100111.6E213 K214 I215 L221E213-Q217 WeakPolarHBondContact O-CB 3.42Å; E213-Q217 PolarHBondContact O-N 2.78Å; K214-Q217 PolarHBondContact O-N 2.97Å; I215-Q217 VanDerWaalsContact C-N 3.34Å; I215-Q217 PolarHBondContact O-N 2.81Å; Q217-L221 HydrophobicContact CG-CD1 4.08Å; Q217-L221 WeakPolarHBondContact O-CB 3.36Å; Q217-L221 VanDerWaalsContact O-CG 3.26Å; Q217-L221 WeakPolarHBondContact O-CG 3.36Å; Q217-L221 PolarHBondContact O-N 3.03Å
218C93.5Very high92.7Very high84 Ų8495.2 Ų95.257%0.56848%0.475SS*.Hα-helixtrans-63.4-38.8175-72.20000112.8K214 I215 Q216 N222K214-C218 PolarHBondContact O-N 3.18Å; K214-C218 PolarHBondContact O-SG 3.02Å; I215-C218 WeakPolarHBondContact O-CB 3.4Å; I215-C218 PolarHBondContact O-N 2.86Å; Q216-C218 VanDerWaalsContact C-N 3.33Å; Q216-C218 PolarHBondContact O-N 2.97Å; C218-N222 WeakPolarHBondContact O-CB 3.49Å; C218-N222 PolarHBondContact O-N 3.16Å
219I94.3Very high93.2Very high74 Ų7491.3 Ų91.338%0.37946%0.464SS..Hα-helixtrans-61.9-53.6176.4-66.5166.4000110.2I215 Q216 L221 N222 E223I215-I219 HydrophobicContact CG2-CD1 4.19Å; I215-I219 WeakPolarHBondContact O-CG1 3.47Å; I215-I219 PolarHBondContact O-N 2.94Å; Q216-I219 PolarHBondContact O-N 2.83Å; I219-L221 VanDerWaalsContact C-N 3.3Å; I219-L221 PolarHBondContact O-N 3.39Å; I219-N222 WeakPolarHBondContact O-CB 3.38Å; I219-N222 PolarHBondContact O-N 3.04Å; I219-E223 WeakPolarHBondContact O-CG 3.32Å; I219-E223 PolarHBondContact O-N 3.49Å
220T93.9Very high93.6Very high66 Ų6688.5 Ų88.541%0.40545%0.452SS..Hα-helixtrans-64.7-31.8-179-58.90000113.1Q216 E223 T224Q216-T220 PolarHBondContact O-N 2.95Å; Q216-T220 VanDerWaalsContact O-N 3.09Å; Q216-T220 PolarHBondContact O-OG1 3.31Å; T220-E223 WeakPolarHBondContact CA-OE2 3.46Å; T220-T224 WeakPolarHBondContact O-CB 3.35Å; T220-T224 PolarHBondContact O-N 2.88Å; T220-T224 VanDerWaalsContact O-N 3.07Å; T220-T224 PolarHBondContact O-OG1 2.91Å
221L95.8Very high94.3Very high96 Ų9689.7 Ų89.750%0.50346%0.459SS..Hα-helixtrans-67.8-40.4171.2-74.2172.3000112Q217 I219 T224 I225Q217-L221 HydrophobicContact CG-CD1 4.08Å; Q217-L221 WeakPolarHBondContact O-CB 3.36Å; Q217-L221 VanDerWaalsContact O-CG 3.26Å; Q217-L221 WeakPolarHBondContact O-CG 3.36Å; Q217-L221 PolarHBondContact O-N 3.03Å; I219-L221 VanDerWaalsContact C-N 3.3Å; I219-L221 PolarHBondContact O-N 3.39Å; L221-T224 WeakPolarHBondContact O-CB 3.42Å; L221-T224 PolarHBondContact O-N 3.36Å; L221-I225 VanDerWaalsContact O-CG1 3.31Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 3.35Å
222N94.7Very high94.6Very high81 Ų8189.2 Ų89.243%0.43346%0.457SS..Hα-helixtrans-64-45.7175.9-173.681.7000111.8C218 I219 T224 I225 E226C218-N222 WeakPolarHBondContact O-CB 3.49Å; C218-N222 PolarHBondContact O-N 3.16Å; I219-N222 WeakPolarHBondContact O-CB 3.38Å; I219-N222 PolarHBondContact O-N 3.04Å; N222-T224 VanDerWaalsContact C-N 3.27Å; N222-T224 PolarHBondContact O-N 3.13Å; N222-I225 WeakPolarHBondContact O-CB 3.48Å; N222-I225 PolarHBondContact O-N 3.06Å; N222-I225 VanDerWaalsContact O-N 3.11Å; N222-E226 PolarHBondContact ND2-OE1 2.99Å; N222-E226 PolarHBondContact O-N 3.03Å
223E94.7Very high95Very high96 Ų9692.5 Ų92.545%0.44947%0.466SS..Hα-helixtrans-54.7-43.5172.8-68.1167.6169.200111.6I219 T220 E226 I227I219-E223 WeakPolarHBondContact O-CG 3.32Å; I219-E223 PolarHBondContact O-N 3.49Å; T220-E223 WeakPolarHBondContact CA-OE2 3.46Å; E223-E226 PolarHBondContact O-N 3.41Å; E223-I227 WeakPolarHBondContact O-CG1 3.47Å; E223-I227 PolarHBondContact O-N 3.1Å
224T96.9Very high95.3Very high65 Ų6592.6 Ų92.640%0.39946%0.464SS..Hα-helixtrans-63.4-42.7177.1-58.40000111.7T220 L221 N222 I227 L228T220-T224 WeakPolarHBondContact O-CB 3.35Å; T220-T224 PolarHBondContact O-N 2.88Å; T220-T224 VanDerWaalsContact O-N 3.07Å; T220-T224 PolarHBondContact O-OG1 2.91Å; L221-T224 WeakPolarHBondContact O-CB 3.42Å; L221-T224 PolarHBondContact O-N 3.36Å; N222-T224 VanDerWaalsContact C-N 3.27Å; N222-T224 PolarHBondContact O-N 3.13Å; T224-I227 PolarHBondContact O-N 3.33Å; T224-L228 HydrophobicContact CG2-CD1 4.17Å; T224-L228 VanDerWaalsContact O-CG 3.3Å; T224-L228 WeakPolarHBondContact O-CG 3.21Å; T224-L228 PolarHBondContact O-N 3.43Å
225I96.7Very high95.6Very high80 Ų8094.7 Ų94.741%0.4148%0.478SS..Hα-helixtrans-63.1-42176.6-71.7164.8000110.9L221 N222 L228 H229L221-I225 VanDerWaalsContact O-CG1 3.31Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 3.35Å; N222-I225 WeakPolarHBondContact O-CB 3.48Å; N222-I225 PolarHBondContact O-N 3.06Å; N222-I225 VanDerWaalsContact O-N 3.11Å; I225-L228 PolarHBondContact O-N 3.35Å; I225-H229 WeakPolarHBondContact CG2-CE1 3.42Å; I225-H229 PolarHBondContact O-N 2.73Å; I225-H229 PolarHBondContact O-ND1 3.45Å
226E96.3Very high95.8Very high112 Ų11295.6 Ų95.652%0.52348%0.48SS..Hα-helixtrans-63-42.6176.7-73178.8-16600112.5N222 E223 H229 A230N222-E226 PolarHBondContact ND2-OE1 2.99Å; N222-E226 PolarHBondContact O-N 3.03Å; E223-E226 PolarHBondContact O-N 3.41Å; E226-H229 PolarHBondContact O-N 3.08Å; E226-A230 WeakPolarHBondContact O-CB 3.18Å; E226-A230 PolarHBondContact O-N 3.39Å
227I96.2Very high95.9Very high97 Ų9793 Ų9350%0.49747%0.474SS..Hα-helixtrans-62.6-42174-67.8165.9000110.9E223 T224 A230 K231E223-I227 WeakPolarHBondContact O-CG1 3.47Å; E223-I227 PolarHBondContact O-N 3.1Å; T224-I227 PolarHBondContact O-N 3.33Å; I227-A230 PolarHBondContact O-N 2.94Å; I227-K231 HydrophobicContact CG2-CD 4.26Å; I227-K231 WeakPolarHBondContact O-CG 3.23Å; I227-K231 PolarHBondContact O-N 3.1Å
228L96.9Very high96.1Very high99 Ų9992 Ų9252%0.51847%0.472SS..Hα-helixtrans-65.1-44.3176.9-72.4171.7000111.6T224 I225 A230 K231 L232T224-L228 HydrophobicContact CG2-CD1 4.17Å; T224-L228 VanDerWaalsContact O-CG 3.3Å; T224-L228 WeakPolarHBondContact O-CG 3.21Å; T224-L228 PolarHBondContact O-N 3.43Å; I225-L228 PolarHBondContact O-N 3.35Å; L228-A230 VanDerWaalsContact C-N 3.32Å; L228-A230 PolarHBondContact O-N 2.83Å; L228-K231 PolarHBondContact O-N 3.07Å; L228-L232 WeakPolarHBondContact O-CB 3.39Å; L228-L232 PolarHBondContact O-N 3.42Å
229H95.1Very high96.3Very high98 Ų9892.8 Ų92.845%0.45447%0.469SS..Hα-helixtrans-61.4-38.4173.8-70.4153.1000112.4I225 E226 L232 R233I225-H229 WeakPolarHBondContact CG2-CE1 3.42Å; I225-H229 PolarHBondContact O-N 2.73Å; I225-H229 PolarHBondContact O-ND1 3.45Å; E226-H229 PolarHBondContact O-N 3.08Å; H229-L232 PolarHBondContact O-N 3.32Å; H229-R233 WeakPolarHBondContact O-CG 3.37Å; H229-R233 PolarHBondContact O-N 2.86Å
230A95.9Very high96.4Very high47 Ų4792.9 Ų92.939%0.38848%0.477SS..Hα-helixtrans-65.6-41.7174.800000112.4E226 I227 L228 K234E226-A230 WeakPolarHBondContact O-CB 3.18Å; E226-A230 PolarHBondContact O-N 3.39Å; I227-A230 PolarHBondContact O-N 2.94Å; L228-A230 VanDerWaalsContact C-N 3.32Å; L228-A230 PolarHBondContact O-N 2.83Å; A230-K234 PolarHBondContact O-N 3.03Å; A230-K234 VanDerWaalsContact O-N 3.13Å
231K97.8Very high96.5Very high128 Ų12894.8 Ų94.856%0.55748%0.484SS*.Hα-helixtrans-63-43.6173.5-74.5174.1178.9178.10111.9I227 L228 K234 L235I227-K231 HydrophobicContact CG2-CD 4.26Å; I227-K231 WeakPolarHBondContact O-CG 3.23Å; I227-K231 PolarHBondContact O-N 3.1Å; L228-K231 PolarHBondContact O-N 3.07Å; K231-K234 PolarHBondContact O-N 3.42Å; K231-L235 WeakPolarHBondContact O-CG 3.39Å; K231-L235 PolarHBondContact O-N 2.92Å
232L97Very high96.6Very high87 Ų8796.5 Ų96.546%0.45549%0.487SS..Hα-helixtrans-59.5-52.9178.9-164.4162.6000110.5L228 H229 K234 L235 E236L228-L232 WeakPolarHBondContact O-CB 3.39Å; L228-L232 PolarHBondContact O-N 3.42Å; H229-L232 PolarHBondContact O-N 3.32Å; L232-K234 PolarHBondContact O-N 2.96Å; L232-L235 WeakPolarHBondContact O-CB 3.49Å; L232-L235 PolarHBondContact O-N 3.37Å; L232-E236 HydrophobicContact CD2-CG 3.89Å; L232-E236 VanDerWaalsContact CD2-OE1 3.3Å; L232-E236 WeakPolarHBondContact CD2-OE1 3.49Å; L232-E236 PolarHBondContact O-N 2.91Å
233R96.7Very high96.7Very high152 Ų15296.9 Ų96.957%0.57449%0.489SS*.Hα-helixtrans-55.1-36.6174.4-71.5-174.7-64.8-105.23.4113.1H229 E236 S237H229-R233 WeakPolarHBondContact O-CG 3.37Å; H229-R233 PolarHBondContact O-N 2.86Å; R233-E236 WeakPolarHBondContact CA-OE2 3.3Å; R233-S237 WeakPolarHBondContact O-CB 3.28Å; R233-S237 PolarHBondContact O-N 3.41Å; R233-S237 VanDerWaalsContact O-N 3.09Å
234K97.1Very high96.8Very high124 Ų124100.3 Ų100.354%0.53950%0.498SS..Hα-helixtrans-70.6-37.5177.1-175.957.1177.9177.20112.3A230 K231 L232 L238A230-K234 PolarHBondContact O-N 3.03Å; A230-K234 VanDerWaalsContact O-N 3.13Å; K231-K234 PolarHBondContact O-N 3.42Å; L232-K234 PolarHBondContact O-N 2.96Å; K234-L238 HydrophobicContact CG-CD1 4.37Å; K234-L238 VanDerWaalsContact O-CG 3.31Å; K234-L238 WeakPolarHBondContact O-CG 3.48Å; K234-L238 PolarHBondContact O-N 2.98Å
235L98Very high96.8Very high109 Ų109102.2 Ų102.257%0.57150%0.501SS*.Hα-helixtrans-67.9-44175.1-70.5171.5000111.5K231 L232 S237 L238 L239K231-L235 WeakPolarHBondContact O-CG 3.39Å; K231-L235 PolarHBondContact O-N 2.92Å; L232-L235 WeakPolarHBondContact O-CB 3.49Å; L232-L235 PolarHBondContact O-N 3.37Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-S237 PolarHBondContact O-N 3.31Å; L235-L238 PolarHBondContact O-N 3.46Å; L235-L238 VanDerWaalsContact O-N 3.12Å; L235-L239 WeakPolarHBondContact O-CG 3.38Å; L235-L239 PolarHBondContact O-N 3.1Å
236E97Very high96.8Very high111 Ų111102.4 Ų102.452%0.51950%0.502SS..Hα-helixtrans-57.1-45.6173.7-69.6173.2144.200111.8L232 R233 L238 L239 S240L232-E236 HydrophobicContact CD2-CG 3.89Å; L232-E236 VanDerWaalsContact CD2-OE1 3.3Å; L232-E236 WeakPolarHBondContact CD2-OE1 3.49Å; L232-E236 PolarHBondContact O-N 2.91Å; R233-E236 WeakPolarHBondContact CA-OE2 3.3Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.13Å; E236-L239 PolarHBondContact O-N 2.89Å; E236-S240 PolarHBondContact O-N 2.87Å
237S96.8Very high96.9Very high55 Ų55100.9 Ų100.939%0.38550%0.497SS..Hα-helixtrans-60.9-39.4174.8173.30000112.8R233 L235 L241R233-S237 WeakPolarHBondContact O-CB 3.28Å; R233-S237 PolarHBondContact O-N 3.41Å; R233-S237 VanDerWaalsContact O-N 3.09Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-S237 PolarHBondContact O-N 3.31Å; S237-L241 WeakPolarHBondContact O-CG 3.45Å; S237-L241 PolarHBondContact O-N 2.95Å; S237-L241 VanDerWaalsContact O-N 3.15Å
238L97.7Very high96.9Very high72 Ų7299.8 Ų99.838%0.37749%0.49SS..Hα-helixtrans-72.2-34.1177.2-74.4171.1000112.9K234 L235 E236 K242K234-L238 HydrophobicContact CG-CD1 4.37Å; K234-L238 VanDerWaalsContact O-CG 3.31Å; K234-L238 WeakPolarHBondContact O-CG 3.48Å; K234-L238 PolarHBondContact O-N 2.98Å; L235-L238 PolarHBondContact O-N 3.46Å; L235-L238 VanDerWaalsContact O-N 3.12Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.13Å; L238-K242 VanDerWaalsContact O-CG 3.3Å; L238-K242 WeakPolarHBondContact O-CG 3.48Å; L238-K242 PolarHBondContact O-N 3.17Å
239L97.1Very high96.8Very high99 Ų9999.4 Ų99.452%0.51849%0.488SS..Hα-helixtrans-64.5-52.2172.3-73.9168.3000110.2L235 E236 L241 K242 D243L235-L239 WeakPolarHBondContact O-CG 3.38Å; L235-L239 PolarHBondContact O-N 3.1Å; E236-L239 PolarHBondContact O-N 2.89Å; L239-L241 VanDerWaalsContact C-N 3.25Å; L239-L241 PolarHBondContact O-N 3.49Å; L239-L241 VanDerWaalsContact O-N 3.16Å; L239-K242 CarbonylContact O-C 2.92Å; L239-K242 WeakPolarHBondContact O-CA 3.25Å; L239-K242 WeakPolarHBondContact O-CB 3.38Å; L239-K242 PolarHBondContact O-N 3.08Å; L239-D243 VanDerWaalsContact O-CG 3.24Å; L239-D243 PolarHBondContact O-N 3.02Å
240S96.4Very high96.9Very high77 Ų7799.6 Ų99.654%0.53849%0.489SS..Hα-helixtrans-53.9-39.3176.4178.70000113.5E236 R244E236-S240 PolarHBondContact O-N 2.87Å; S240-R244 WeakPolarHBondContact O-CB 3.25Å; S240-R244 PolarHBondContact O-N 2.83Å
241L96.6Very high96.9Very high106 Ų106104 Ų10456%0.55550%0.499SS*.Hα-helixtrans-68.2-37.7173.9-74.3169.9000113.1S237 L239 K245S237-L241 WeakPolarHBondContact O-CG 3.45Å; S237-L241 PolarHBondContact O-N 2.95Å; S237-L241 VanDerWaalsContact O-N 3.15Å; L239-L241 VanDerWaalsContact C-N 3.25Å; L239-L241 PolarHBondContact O-N 3.49Å; L239-L241 VanDerWaalsContact O-N 3.16Å; L241-K245 WeakPolarHBondContact O-CB 3.47Å; L241-K245 PolarHBondContact O-N 3.29Å; L241-K245 VanDerWaalsContact O-N 3.1Å
242K97.3Very high96.7Very high132 Ų132101 Ų10157%0.57449%0.492SS*.Hα-helixtrans-67.4-45.4175.1-76.9167.8175.1-71.30111.3L238 L239 K245 I246L238-K242 VanDerWaalsContact O-CG 3.3Å; L238-K242 WeakPolarHBondContact O-CG 3.48Å; L238-K242 PolarHBondContact O-N 3.17Å; L239-K242 CarbonylContact O-C 2.92Å; L239-K242 WeakPolarHBondContact O-CA 3.25Å; L239-K242 WeakPolarHBondContact O-CB 3.38Å; L239-K242 PolarHBondContact O-N 3.08Å; K242-K245 CarbonylContact O-C 3.59Å; K242-K245 WeakPolarHBondContact O-CA 3.48Å; K242-K245 PolarHBondContact O-N 2.89Å; K242-I246 WeakPolarHBondContact O-CG1 3.43Å; K242-I246 PolarHBondContact O-N 3.28Å
243D97Very high96.6Very high88 Ų88102.2 Ų102.247%0.47150%0.498SS..Hα-helixtrans-61.5-48.2179.7-60.3-31.4000110.4L239 K245 I246 D247L239-D243 VanDerWaalsContact O-CG 3.24Å; L239-D243 PolarHBondContact O-N 3.02Å; D243-K245 PolarHBondContact O-N 2.7Å; D243-I246 WeakPolarHBondContact O-CB 3.4Å; D243-I246 PolarHBondContact O-N 3.36Å; D243-I246 VanDerWaalsContact O-N 3.11Å; D243-D247 PolarHBondContact O-N 3.33Å
244R96.6Very high96.4Very high169 Ų169100 Ų10064%0.63850%0.498SS*.Hα-helixtrans-56.4-37171.8-179.3174.9176.6145.51.8112.4S240 E248S240-R244 WeakPolarHBondContact O-CB 3.25Å; S240-R244 PolarHBondContact O-N 2.83Å; R244-E248 IonicContact NE-OE1 2.78Å; R244-E248 WeakPolarHBondContact O-CG 3.43Å; R244-E248 PolarHBondContact O-N 3.45Å; R244-E248 VanDerWaalsContact O-N 3.09Å
245K96.6Very high96.2Very high105 Ų105101 Ų10146%0.45750%0.498SS..Hα-helixtrans-74-34.9178.6-167.960-174.2174.30112.7L241 K242 D243 E248 L249L241-K245 WeakPolarHBondContact O-CB 3.47Å; L241-K245 PolarHBondContact O-N 3.29Å; L241-K245 VanDerWaalsContact O-N 3.1Å; K242-K245 CarbonylContact O-C 3.59Å; K242-K245 WeakPolarHBondContact O-CA 3.48Å; K242-K245 PolarHBondContact O-N 2.89Å; D243-K245 PolarHBondContact O-N 2.7Å; K245-E248 HydrophobicContact CD-CB 4.48Å; K245-E248 VanDerWaalsContact CD-OE2 3.31Å; K245-E248 WeakPolarHBondContact CD-OE2 3.33Å; K245-E248 IonicContact NZ-OE2 2.62Å; K245-E248 PolarHBondContact NZ-OE2 3.48Å; K245-E248 PolarHBondContact O-N 3.49Å; K245-L249 HydrophobicContact CG-CD1 4.28Å; K245-L249 WeakPolarHBondContact O-CB 3.43Å; K245-L249 VanDerWaalsContact O-CG 3.29Å; K245-L249 WeakPolarHBondContact O-CG 3.25Å; K245-L249 PolarHBondContact O-N 3.01Å
246I97.4Very high95.9Very high83 Ų83101.4 Ų101.443%0.42650%0.495SS..Hα-helixtrans-62.3-46.5172-69.8163.6000109.3K242 D243 E248 L249 Q250K242-I246 WeakPolarHBondContact O-CG1 3.43Å; K242-I246 PolarHBondContact O-N 3.28Å; D243-I246 WeakPolarHBondContact O-CB 3.4Å; D243-I246 PolarHBondContact O-N 3.36Å; D243-I246 VanDerWaalsContact O-N 3.11Å; I246-E248 PolarHBondContact O-N 2.83Å; I246-L249 PolarHBondContact O-N 3.22Å; I246-Q250 HydrophobicContact CG2-CG 4.19Å; I246-Q250 WeakPolarHBondContact O-CB 3.39Å; I246-Q250 VanDerWaalsContact O-CG 3.32Å; I246-Q250 WeakPolarHBondContact O-CG 3.43Å; I246-Q250 PolarHBondContact O-N 2.86Å
247D97.1Very high95.5Very high80 Ų8099.4 Ų99.443%0.42849%0.493SS..Hα-helixtrans-56.4-46.4174.6-80.7-1.9000112.8D243 Q250 K251D243-D247 PolarHBondContact O-N 3.33Å; D247-Q250 PolarHBondContact O-N 2.99Å; D247-K251 WeakPolarHBondContact O-CB 3.47Å; D247-K251 WeakPolarHBondContact O-CD 3.38Å; D247-K251 WeakPolarHBondContact O-CG 3.42Å; D247-K251 PolarHBondContact O-N 3.39Å
248E96.5Very high95.1Very high75 Ų75103.6 Ų103.635%0.3551%0.511SS..Hα-helixtrans-61.2-42.8176.8-77.1174.2-166.900112.3R244 K245 I246 T252R244-E248 IonicContact NE-OE1 2.78Å; R244-E248 WeakPolarHBondContact O-CG 3.43Å; R244-E248 PolarHBondContact O-N 3.45Å; R244-E248 VanDerWaalsContact O-N 3.09Å; K245-E248 HydrophobicContact CD-CB 4.48Å; K245-E248 VanDerWaalsContact CD-OE2 3.31Å; K245-E248 WeakPolarHBondContact CD-OE2 3.33Å; K245-E248 IonicContact NZ-OE2 2.62Å; K245-E248 PolarHBondContact NZ-OE2 3.48Å; K245-E248 PolarHBondContact O-N 3.49Å; I246-E248 PolarHBondContact O-N 2.83Å; E248-T252 WeakPolarHBondContact O-CB 3.15Å; E248-T252 PolarHBondContact O-N 3.27Å; E248-T252 PolarHBondContact O-OG1 2.91Å
249L95.9Very high94.5Very high90 Ų90107.2 Ų107.247%0.47152%0.524SS..Hα-helixtrans-71.4-40.6179-70.4172.9000111.7K245 I246 T252 I253K245-L249 HydrophobicContact CG-CD1 4.28Å; K245-L249 WeakPolarHBondContact O-CB 3.43Å; K245-L249 VanDerWaalsContact O-CG 3.29Å; K245-L249 WeakPolarHBondContact O-CG 3.25Å; K245-L249 PolarHBondContact O-N 3.01Å; I246-L249 PolarHBondContact O-N 3.22Å; L249-T252 WeakPolarHBondContact O-CB 3.25Å; L249-T252 PolarHBondContact O-N 3.21Å; L249-I253 WeakPolarHBondContact O-CB 3.43Å; L249-I253 VanDerWaalsContact O-CG1 3.3Å; L249-I253 WeakPolarHBondContact O-CG1 3.42Å; L249-I253 PolarHBondContact O-N 3.2Å
250Q96Very high93.5Very high103 Ų103113.1 Ų113.148%0.48154%0.539SS..Hα-helixtrans-62.4-43.4173.7-74.6179.1-600111.5I246 D247 T252 I253 N254I246-Q250 HydrophobicContact CG2-CG 4.19Å; I246-Q250 WeakPolarHBondContact O-CB 3.39Å; I246-Q250 VanDerWaalsContact O-CG 3.32Å; I246-Q250 WeakPolarHBondContact O-CG 3.43Å; I246-Q250 PolarHBondContact O-N 2.86Å; D247-Q250 PolarHBondContact O-N 2.99Å; Q250-T252 VanDerWaalsContact C-N 3.29Å; Q250-T252 PolarHBondContact O-N 3.23Å; Q250-I253 PolarHBondContact O-N 3.41Å; Q250-N254 VanDerWaalsContact O-CB 3.3Å; Q250-N254 WeakPolarHBondContact O-CB 3.44Å; Q250-N254 PolarHBondContact O-N 3.45Å; Q250-N254 PolarHBondContact O-ND2 2.98Å
251K95.6Very high91.8Very high138 Ų138118.7 Ų118.760%0.656%0.563SS**Hα-helixtrans-58.5-41.7172.3-75163.1-173.8161.50111.7D247 W255D247-K251 WeakPolarHBondContact O-CB 3.47Å; D247-K251 WeakPolarHBondContact O-CD 3.38Å; D247-K251 WeakPolarHBondContact O-CG 3.42Å; D247-K251 PolarHBondContact O-N 3.39Å; K251-W255 WeakPolarHBondContact O-CB 3.47Å; K251-W255 PolarHBondContact O-N 2.92Å
252T94.9Very high91.5Very high67 Ų67119.3 Ų119.341%0.41156%0.563SS.*Hα-helixtrans-66.7-46.3178.2-58.90000111.7E248 L249 Q250 W255 F256E248-T252 WeakPolarHBondContact O-CB 3.15Å; E248-T252 PolarHBondContact O-N 3.27Å; E248-T252 PolarHBondContact O-OG1 2.91Å; L249-T252 WeakPolarHBondContact O-CB 3.25Å; L249-T252 PolarHBondContact O-N 3.21Å; Q250-T252 VanDerWaalsContact C-N 3.29Å; Q250-T252 PolarHBondContact O-N 3.23Å; T252-W255 PolarHBondContact O-N 3.46Å; T252-F256 HydrophobicContact CG2-CD2 3.81Å; T252-F256 HydrophobicContact CG2-CE2 3.64Å; T252-F256 WeakPolarHBondContact O-CD2 2.98Å; T252-F256 PolarHBondContact O-N 3.3Å
253I93.6Very high91.2Very high111 Ų111118.6 Ų118.657%0.56956%0.562SS**Hα-helixtrans-60.4-46.4175.4-70.5164.9000110.4L249 Q250 W255 F256 S257L249-I253 WeakPolarHBondContact O-CB 3.43Å; L249-I253 VanDerWaalsContact O-CG1 3.3Å; L249-I253 WeakPolarHBondContact O-CG1 3.42Å; L249-I253 PolarHBondContact O-N 3.2Å; Q250-I253 PolarHBondContact O-N 3.41Å; I253-W255 VanDerWaalsContact C-N 3.33Å; I253-W255 PolarHBondContact O-N 2.96Å; I253-F256 PolarHBondContact O-N 2.93Å; I253-S257 WeakPolarHBondContact O-CB 3.42Å; I253-S257 PolarHBondContact O-N 2.85Å
254N93Very high90.9Very high107 Ų107120.3 Ų120.357%0.57257%0.567SS**Hα-helixtrans-62.7-40178.1-69.8-14.2000111.6Q250 S257 L258Q250-N254 VanDerWaalsContact O-CB 3.3Å; Q250-N254 WeakPolarHBondContact O-CB 3.44Å; Q250-N254 PolarHBondContact O-N 3.45Å; Q250-N254 PolarHBondContact O-ND2 2.98Å; N254-S257 PolarHBondContact O-N 2.63Å; N254-L258 WeakPolarHBondContact O-CB 3.18Å; N254-L258 PolarHBondContact O-N 2.95Å
255W92.4Very high90.6Very high143 Ų143117.5 Ų117.554%0.54256%0.563SS.*Hα-helixtrans-63.1-44174.8-176.287.3000112.7K251 T252 I253 L258 K259K251-W255 WeakPolarHBondContact O-CB 3.47Å; K251-W255 PolarHBondContact O-N 2.92Å; T252-W255 PolarHBondContact O-N 3.46Å; I253-W255 VanDerWaalsContact C-N 3.33Å; I253-W255 PolarHBondContact O-N 2.96Å; W255-L258 PolarHBondContact O-N 2.71Å; W255-K259 HydrophobicContact CH2-CD 3.87Å; W255-K259 HydrophobicContact CZ2-CD 4.1Å; W255-K259 HydrophobicContact CZ3-CD 4.26Å; W255-K259 WeakPolarHBondContact O-CB 3.21Å; W255-K259 PolarHBondContact O-N 3.34Å
256F91.9Very high90.2Very high119 Ų119118.3 Ų118.352%0.52257%0.57SS.*Hα-helixtrans-68.1-34.5175-80.3-67.6000113T252 I253 K259 R260T252-F256 HydrophobicContact CG2-CD2 3.81Å; T252-F256 HydrophobicContact CG2-CE2 3.64Å; T252-F256 WeakPolarHBondContact O-CD2 2.98Å; T252-F256 PolarHBondContact O-N 3.3Å; I253-F256 PolarHBondContact O-N 2.93Å; F256-K259 PolarHBondContact O-N 3.3Å; F256-R260 PolarHBondContact O-N 3.04Å
257S89.9Confident89.7Confident68 Ų68120.6 Ų120.648%0.47658%0.58SS.*Hα-helixtrans-64.2-47.1174.4-166.70000110.9I253 N254 K259 R260I253-S257 WeakPolarHBondContact O-CB 3.42Å; I253-S257 PolarHBondContact O-N 2.85Å; N254-S257 PolarHBondContact O-N 2.63Å; S257-K259 PolarHBondContact O-N 2.9Å; S257-R260 PolarHBondContact O-N 2.94Å; S257-R260 VanDerWaalsContact O-N 3.15Å
258L87.5Confident89.2Confident143 Ų143123.5 Ų123.575%0.74959%0.59SS**Hα-helixtrans-66.7-17.1178.2-155.275.3000113.7N254 W255N254-L258 WeakPolarHBondContact O-CB 3.18Å; N254-L258 PolarHBondContact O-N 2.95Å; W255-L258 PolarHBondContact O-N 2.71Å
259K85.1Confident88.6Confident149 Ų149127.2 Ų127.265%0.64861%0.609SS**THydrogen-bonded Turntrans-97.6-4.4177.1-164.3174179.1-1790113.6W255 F256 S257W255-K259 HydrophobicContact CH2-CD 3.87Å; W255-K259 HydrophobicContact CZ2-CD 4.1Å; W255-K259 HydrophobicContact CZ3-CD 4.26Å; W255-K259 WeakPolarHBondContact O-CB 3.21Å; W255-K259 PolarHBondContact O-N 3.34Å; F256-K259 PolarHBondContact O-N 3.3Å; S257-K259 PolarHBondContact O-N 2.9Å
260R76.2Confident88Confident222 Ų222130.3 Ų130.384%0.83862%0.62SS**THydrogen-bonded Turntrans-96.8-14.8173.3-87.4-170.9-1781480.9113.8F256 S257F256-R260 PolarHBondContact O-N 3.04Å; S257-R260 PolarHBondContact O-N 2.94Å; S257-R260 VanDerWaalsContact O-N 3.15Å
261N60.2Low87.3Confident194 Ų194132.8 Ų132.8100%1.03763%0.633SS**  trans-97.70168.1-64.6-14.8000109.9

Retrieved 261 of 261 residues in 210.9 ms (Link to these results)

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