A0A077ZDV1_TRITR Loading...

PA26 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDV1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 430 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
1M63Low84.3Confident113 Ų11369.3 Ų69.356%0.55733%0.33SS*.  0120.90178.4-169.3-46.400106I41 R70 A71M1-I41 HydrophobicContact CE-CB 4.46Å; M1-I41 HydrophobicContact CE-CD1 4.02Å; M1-I41 HydrophobicContact CE-CG2 4Å; M1-R70 PolarHBondContact SD-NH1 3.19Å; M1-R70 PolarHBondContact SD-NH2 3.4Å; M1-R70 VanDerWaalsContact SD-NH2 3.43Å; M1-A71 HydrophobicContact CE-CB 3.59Å; M1-A71 HydrophobicContact SD-CB 4.26Å
2E72.8Confident85Confident179 Ų17963.5 Ų63.584%0.83630%0.303SS*.  trans-59.7139.8178.9-73.4179.6177.100110.2R70E2-R70 PolarHBondContact O-NH1 3.47Å; E2-R70 PolarHBondContact O-NH2 3.23Å
3E81.1Confident85.5Confident83 Ų8359.8 Ų59.839%0.38829%0.288SS..  trans-75.6126-178.5-59.4176.9162.300109.7W5 S30 Y34E3-W5 PolarHBondContact O-N 2.73Å; E3-W5 PolarHBondContact OE2-NE1 3.06Å; E3-S30 WeakPolarHBondContact OE1-CB 3.39Å; E3-S30 PolarHBondContact OE1-OG 3.19Å; E3-Y34 HydrophobicContact CB-CD2 4.44Å; E3-Y34 HydrophobicContact CG-CD2 4.02Å; E3-Y34 HydrophobicContact CG-CG 4.19Å
4N80.8Confident85.8Confident53 Ų5355.6 Ų55.628%0.28327%0.268SS..  trans-94.488.2174.1-175.65.5000110E6 I7N4-E6 VanDerWaalsContact C-N 3.27Å; N4-E6 PolarHBondContact O-N 3.45Å; N4-E6 WeakPolarHBondContact OD1-CB 3.41Å; N4-E6 PolarHBondContact OD1-N 2.68Å; N4-E6 VanDerWaalsContact OD1-N 3.16Å; N4-I7 WeakPolarHBondContact O-CG2 3.45Å
5W88.3Confident86.3Confident44 Ų4452 Ų5217%0.16725%0.25CS..  trans-77.4-8.6177.8-70108.6000114.1E3 I7 W8 Q9 L12 R26 L29E3-W5 PolarHBondContact O-N 2.73Å; E3-W5 PolarHBondContact OE2-NE1 3.06Å; W5-I7 VanDerWaalsContact C-N 3.33Å; W5-I7 PolarHBondContact O-N 3.3Å; W5-W8 HydrophobicContact CE3-CB 3.99Å; W5-W8 AromaticContact CE3-CD1 3.91Å; W5-W8 HydrophobicContact CE3-CG 4.05Å; W5-W8 HydrophobicContact CZ3-CB 4.44Å; W5-W8 HydrophobicContact CZ3-CG 4.21Å; W5-W8 PolarHBondContact O-N 2.61Å; W5-Q9 WeakPolarHBondContact O-CG 3.16Å; W5-Q9 PolarHBondContact O-N 2.97Å; W5-Q9 PolarHBondContact O-NE2 3.04Å; W5-L12 HydrophobicContact CE3-CD1 3.8Å; W5-L12 HydrophobicContact CZ3-CD1 4.44Å; W5-R26 HydrophobicContact CD2-CG 4.21Å; W5-R26 HydrophobicContact CE3-CG 4.18Å; W5-R26 HydrophobicContact CH2-CB 4.44Å; W5-R26 HydrophobicContact CH2-CG 3.58Å; W5-R26 WeakPolarHBondContact CH2-O 3.5Å; W5-R26 HydrophobicContact CZ2-CG 3.6Å; W5-R26 HydrophobicContact CZ3-CG 3.88Å; W5-L29 HydrophobicContact CH2-CB 4.06Å; W5-L29 HydrophobicContact CZ3-CB 4.36Å
6E87.5Confident86.8Confident158 Ų15854.2 Ų54.274%0.73826%0.26SS*.SBendtrans-63.8-40.3179-63.7-173.3166.200111.3N4 W8 Q9N4-E6 VanDerWaalsContact C-N 3.27Å; N4-E6 PolarHBondContact O-N 3.45Å; N4-E6 WeakPolarHBondContact OD1-CB 3.41Å; N4-E6 PolarHBondContact OD1-N 2.68Å; N4-E6 VanDerWaalsContact OD1-N 3.16Å; E6-W8 PolarHBondContact O-N 3.34Å; E6-Q9 WeakPolarHBondContact O-CB 3.2Å; E6-Q9 VanDerWaalsContact O-CG 3.23Å; E6-Q9 WeakPolarHBondContact O-CG 3.41Å; E6-Q9 PolarHBondContact O-N 2.95Å; E6-Q9 VanDerWaalsContact O-N 3.16Å
7I89.6Confident87.1Confident42 Ų4254.4 Ų54.422%0.21526%0.262CS..THydrogen-bonded Turntrans-68.4-22.4-179.4-154.9169.9000112.7N4 W5 F59 V63 A66 E67N4-I7 WeakPolarHBondContact O-CG2 3.45Å; W5-I7 VanDerWaalsContact C-N 3.33Å; W5-I7 PolarHBondContact O-N 3.3Å; I7-F59 WeakPolarHBondContact O-CE2 3.26Å; I7-F59 WeakPolarHBondContact O-CZ 3.48Å; I7-V63 HydrophobicContact CD1-CB 4.48Å; I7-V63 HydrophobicContact CD1-CG2 4.44Å; I7-V63 HydrophobicContact CG1-CB 4.5Å; I7-V63 HydrophobicContact CG1-CG2 3.97Å; I7-V63 HydrophobicContact CG2-CG1 4.12Å; I7-V63 HydrophobicContact CG2-CG2 4.49Å; I7-A66 HydrophobicContact CD1-CB 3.52Å; I7-E67 HydrophobicContact CG2-CG 4.43Å
8W92.1Very high87.5Confident0 Ų051.4 Ų51.40%025%0.248CC..THydrogen-bonded Turntrans-90-7.7177.9-68.598.7000113.4W5 E6 P10 L11 L12 L29 F33 Y34 F59 L60 V63 H64 L140W5-W8 HydrophobicContact CE3-CB 3.99Å; W5-W8 AromaticContact CE3-CD1 3.91Å; W5-W8 HydrophobicContact CE3-CG 4.05Å; W5-W8 HydrophobicContact CZ3-CB 4.44Å; W5-W8 HydrophobicContact CZ3-CG 4.21Å; W5-W8 PolarHBondContact O-N 2.61Å; E6-W8 PolarHBondContact O-N 3.34Å; W8-P10 VanDerWaalsContact C-CD 3.5Å; W8-L11 HydrophobicContact CE3-CD2 3.83Å; W8-L11 HydrophobicContact CZ3-CD2 4Å; W8-L11 WeakPolarHBondContact O-CB 3.38Å; W8-L11 PolarHBondContact O-N 3.07Å; W8-L12 HydrophobicContact CB-CD1 4.08Å; W8-L12 HydrophobicContact CB-CG 4.27Å; W8-L12 PolarHBondContact O-N 3.35Å; W8-L29 HydrophobicContact CE3-CD1 4.21Å; W8-L29 HydrophobicContact CZ3-CD1 4.12Å; W8-F33 HydrophobicContact CH2-CD2 4.36Å; W8-F33 HydrophobicContact CH2-CE2 4.15Å; W8-F33 HydrophobicContact CZ2-CD2 4.19Å; W8-F33 HydrophobicContact CZ2-CE2 4.42Å; W8-Y34 PolarHBondContact NE1-OH 2.69Å; W8-F59 HydrophobicContact CE3-CE1 4.49Å; W8-L60 HydrophobicContact CH2-CD2 4.12Å; W8-L60 HydrophobicContact CZ3-CD2 3.7Å; W8-V63 HydrophobicContact CD2-CG1 4.05Å; W8-V63 HydrophobicContact CE3-CG1 4.39Å; W8-V63 HydrophobicContact CH2-CG1 3.89Å; W8-V63 HydrophobicContact CZ2-CG1 3.47Å; W8-V63 VanDerWaalsContact CZ2-CG1 3.47Å; W8-V63 HydrophobicContact CZ3-CG1 4.32Å; W8-H64 AromaticContact CH2-CE1 3.63Å; W8-H64 AromaticContact CH2-NE2 3.81Å; W8-H64 AromaticContact CZ2-CE1 3.83Å; W8-L140 HydrophobicContact CZ3-CD1 4.4Å
9Q90.7Very high87.9Confident74 Ų7457.7 Ų57.735%0.34627%0.274SS..Hα-helixtrans-52.9-43.5-173.2-68.4-61.2-56.400114W5 E6 L11 L12 S13W5-Q9 WeakPolarHBondContact O-CG 3.16Å; W5-Q9 PolarHBondContact O-N 2.97Å; W5-Q9 PolarHBondContact O-NE2 3.04Å; E6-Q9 WeakPolarHBondContact O-CB 3.2Å; E6-Q9 VanDerWaalsContact O-CG 3.23Å; E6-Q9 WeakPolarHBondContact O-CG 3.41Å; E6-Q9 PolarHBondContact O-N 2.95Å; E6-Q9 VanDerWaalsContact O-N 3.16Å; Q9-L11 PolarHBondContact O-N 3.32Å; Q9-L12 PolarHBondContact O-N 3.17Å; Q9-L12 VanDerWaalsContact O-N 3.08Å; Q9-S13 WeakPolarHBondContact O-CB 3.25Å; Q9-S13 PolarHBondContact O-N 3.12Å; Q9-S13 PolarHBondContact O-OG 3.05Å
10P89.4Confident88.3Confident16 Ų1657.4 Ų57.410%0.10429%0.287CS..Hα-helixtrans-55.2-38177.3-30.439.2000114W8 F59 V149 F153W8-P10 VanDerWaalsContact C-CD 3.5Å; P10-F59 HydrophobicContact CB-CD2 4.26Å; P10-F59 HydrophobicContact CB-CE2 3.71Å; P10-F59 HydrophobicContact CB-CZ 4.13Å; P10-F59 HydrophobicContact CG-CD2 4.37Å; P10-F59 HydrophobicContact CG-CE2 3.67Å; P10-F59 HydrophobicContact CG-CZ 4.35Å; P10-V149 HydrophobicContact CB-CG1 3.62Å; P10-F153 HydrophobicContact CB-CB 3.82Å; P10-F153 HydrophobicContact CB-CD2 3.63Å; P10-F153 HydrophobicContact CB-CE2 4.3Å; P10-F153 HydrophobicContact CB-CG 3.8Å; P10-F153 HydrophobicContact CG-CB 3.9Å; P10-F153 HydrophobicContact CG-CG 4.36Å; P10-F153 WeakPolarHBondContact O-CE2 3.42Å; P10-F153 VanDerWaalsContact O-CZ 3.25Å; P10-F153 WeakPolarHBondContact O-CZ 3.49Å
11L92.4Very high88.7Confident0 Ų054.8 Ų54.80%027%0.274CS..Hα-helixtrans-72.1-48.9174.4173.265.2000110.9W8 Q9 S13 C14 L15 L29 F59 L140 F143 I144W8-L11 HydrophobicContact CE3-CD2 3.83Å; W8-L11 HydrophobicContact CZ3-CD2 4Å; W8-L11 WeakPolarHBondContact O-CB 3.38Å; W8-L11 PolarHBondContact O-N 3.07Å; Q9-L11 PolarHBondContact O-N 3.32Å; L11-S13 PolarHBondContact O-N 3.29Å; L11-C14 PolarHBondContact O-N 3.23Å; L11-L15 HydrophobicContact CD1-CD1 4.19Å; L11-L15 HydrophobicContact CD1-CG 4.47Å; L11-L15 HydrophobicContact CG-CD1 4.13Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.26Å; L11-L29 HydrophobicContact CD2-CD1 4.3Å; L11-F59 HydrophobicContact CB-CE1 3.87Å; L11-F59 HydrophobicContact CB-CZ 4.12Å; L11-L140 HydrophobicContact CD2-CD2 3.96Å; L11-F143 HydrophobicContact CD1-CD1 3.45Å; L11-F143 VanDerWaalsContact CD1-CD1 3.45Å; L11-F143 HydrophobicContact CD1-CE1 3.6Å; L11-I144 HydrophobicContact CD1-CG1 4.18Å
12L92.9Very high90.4Very high0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-64.6-38.9-174.8-66177.9000112.3W5 W8 Q9 C14 L15 E16W5-L12 HydrophobicContact CE3-CD1 3.8Å; W5-L12 HydrophobicContact CZ3-CD1 4.44Å; W8-L12 HydrophobicContact CB-CD1 4.08Å; W8-L12 HydrophobicContact CB-CG 4.27Å; W8-L12 PolarHBondContact O-N 3.35Å; Q9-L12 PolarHBondContact O-N 3.17Å; Q9-L12 VanDerWaalsContact O-N 3.08Å; L12-C14 VanDerWaalsContact C-N 3.28Å; L12-C14 PolarHBondContact O-N 2.84Å; L12-L15 CarbonylContact O-C 3.04Å; L12-L15 WeakPolarHBondContact O-CA 3.12Å; L12-L15 PolarHBondContact O-N 2.89Å; L12-E16 WeakPolarHBondContact O-CG 3.34Å; L12-E16 PolarHBondContact O-N 3.49Å
13S90.4Very high91.5Very high16 Ų1643.3 Ų43.311%0.11222%0.224CC..Hα-helixtrans-62-32.7177.9-61.20000113.1Q9 L11Q9-S13 WeakPolarHBondContact O-CB 3.25Å; Q9-S13 PolarHBondContact O-N 3.12Å; Q9-S13 PolarHBondContact O-OG 3.05Å; L11-S13 PolarHBondContact O-N 3.29Å
14C90.3Very high92.3Very high0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-66.8-45169.6-78.70000111.2L11 L12 E16 F143 F153L11-C14 PolarHBondContact O-N 3.23Å; L12-C14 VanDerWaalsContact C-N 3.28Å; L12-C14 PolarHBondContact O-N 2.84Å; C14-E16 VanDerWaalsContact C-N 3.32Å; C14-E16 PolarHBondContact O-N 2.68Å; C14-F143 HydrophobicContact CB-CE1 4.02Å; C14-F143 HydrophobicContact CB-CZ 4.05Å; C14-F153 VanDerWaalsContact SG-CZ 3.53Å
15L93.8Very high93.1Very high2 Ų237.1 Ų37.11%0.0119%0.194CC..Hα-helixtrans-70.7-25.7-176.1-65.1-179.3000113.5L11 L12 L17 H18 Y21 C22 V25 F143 M407L11-L15 HydrophobicContact CD1-CD1 4.19Å; L11-L15 HydrophobicContact CD1-CG 4.47Å; L11-L15 HydrophobicContact CG-CD1 4.13Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.26Å; L12-L15 CarbonylContact O-C 3.04Å; L12-L15 WeakPolarHBondContact O-CA 3.12Å; L12-L15 PolarHBondContact O-N 2.89Å; L15-L17 PolarHBondContact O-N 3.14Å; L15-L17 VanDerWaalsContact O-N 3.08Å; L15-H18 CarbonylContact O-C 3.55Å; L15-H18 WeakPolarHBondContact O-CA 3.43Å; L15-H18 PolarHBondContact O-N 2.94Å; L15-Y21 HydrophobicContact CD1-CE1 4.48Å; L15-Y21 HydrophobicContact CD2-CD1 3.9Å; L15-Y21 HydrophobicContact CD2-CE1 3.58Å; L15-C22 HydrophobicContact CB-CB 3.91Å; L15-C22 WeakPolarHBondContact O-CB 3.41Å; L15-V25 HydrophobicContact CD1-CB 4.13Å; L15-V25 HydrophobicContact CD1-CG1 3.78Å; L15-V25 HydrophobicContact CD1-CG2 4.34Å; L15-F143 HydrophobicContact CD2-CE1 3.9Å; L15-F143 HydrophobicContact CD2-CE2 3.71Å; L15-F143 HydrophobicContact CD2-CZ 3.33Å; L15-F143 HydrophobicContact CG-CE1 4.27Å; L15-F143 HydrophobicContact CG-CZ 4.1Å; L15-M407 HydrophobicContact CD2-CG 4.24Å
16E93.1Very high93.5Very high87 Ų8738.8 Ų38.841%0.40720%0.2SC..G310 helixtrans-59.9-19.1179.6-82.8175.3177.800114.1L12 C14 H18 K19 R26L12-E16 WeakPolarHBondContact O-CG 3.34Å; L12-E16 PolarHBondContact O-N 3.49Å; C14-E16 VanDerWaalsContact C-N 3.32Å; C14-E16 PolarHBondContact O-N 2.68Å; E16-H18 PolarHBondContact O-N 3.24Å; E16-K19 WeakPolarHBondContact O-CG 3.33Å; E16-R26 IonicContact OE1-NH2 2.98Å
17L91.8Very high93.9Very high57 Ų5735.6 Ų35.630%0.29819%0.186SC..G310 helixtrans-58.1-24.7167.6-64.8177.4000112.8L15 M159 F399 V403L15-L17 PolarHBondContact O-N 3.14Å; L15-L17 VanDerWaalsContact O-N 3.08Å; L17-M159 HydrophobicContact CD1-CE 3.61Å; L17-M159 HydrophobicContact CD2-CE 3.48Å; L17-M159 VanDerWaalsContact CD2-CE 3.48Å; L17-M159 HydrophobicContact CG-CE 3.64Å; L17-F399 HydrophobicContact CD1-CD1 3.63Å; L17-F399 HydrophobicContact CD1-CE1 3.79Å; L17-V403 HydrophobicContact CD1-CB 4.17Å; L17-V403 HydrophobicContact CD1-CG2 3.84Å
18H95.7Very high94.3Very high2 Ų233.7 Ų33.71%0.00918%0.176CC..G310 helixtrans-126.167.2179.4-55-63.1000110.2L15 E16 G20 Y21 C22 L323 Y325 S400 H404 M407L15-H18 CarbonylContact O-C 3.55Å; L15-H18 WeakPolarHBondContact O-CA 3.43Å; L15-H18 PolarHBondContact O-N 2.94Å; E16-H18 PolarHBondContact O-N 3.24Å; H18-G20 VanDerWaalsContact C-N 3.31Å; H18-G20 PolarHBondContact O-N 2.89Å; H18-Y21 WeakPolarHBondContact O-CA 3.22Å; H18-Y21 WeakPolarHBondContact O-CB 3.07Å; H18-Y21 PolarHBondContact O-N 2.95Å; H18-C22 PolarHBondContact O-N 2.93Å; H18-L323 HydrophobicContact CB-CD2 4.02Å; H18-Y325 AromaticContact CE1-CE2 3.61Å; H18-Y325 AromaticContact ND1-CE2 3.32Å; H18-Y325 VanDerWaalsContact ND1-CE2 3.32Å; H18-Y325 WeakPolarHBondContact ND1-CE2 3.29Å; H18-Y325 AromaticContact ND1-CZ 3.59Å; H18-Y325 PolarHBondContact ND1-OH 3.17Å; H18-S400 PolarHBondContact CE1-OG 3.07Å; H18-S400 PolarHBondContact NE2-O 2.81Å; H18-H404 PolarHBondContact NE2-N 3.15Å; H18-M407 HydrophobicContact CB-CE 4.16Å; H18-M407 HydrophobicContact CB-SD 3.93Å; H18-M407 PolarHBondContact CD2-SD 2.69Å
19K95.2Very high94.6Very high170 Ų17033.7 Ų33.774%0.73918%0.176SC*.Hα-helixtrans-42.5-46.5-170.6-62.8-176.4179.4-178.20115.9E16 C22 S23E16-K19 WeakPolarHBondContact O-CG 3.33Å; K19-C22 WeakPolarHBondContact O-CB 3.17Å; K19-C22 PolarHBondContact O-N 3.02Å; K19-S23 PolarHBondContact O-N 3.02Å
20G95.5Very high94.8Very high52 Ų5231.5 Ų31.554%0.53617%0.168SC..Hα-helixtrans-62.7-44.8179.500000112.6H18 S23 N24H18-G20 VanDerWaalsContact C-N 3.31Å; H18-G20 PolarHBondContact O-N 2.89Å; G20-S23 PolarHBondContact O-N 3.32Å; G20-N24 PolarHBondContact O-N 3.42Å
21Y97.3Very high95.1Very high3 Ų331.3 Ų31.31%0.01217%0.167CC..Hα-helixtrans-66-41.2173.5-179.7-102.5000111.9L15 H18 S23 N24 V25 I319 M407 E411L15-Y21 HydrophobicContact CD1-CE1 4.48Å; L15-Y21 HydrophobicContact CD2-CD1 3.9Å; L15-Y21 HydrophobicContact CD2-CE1 3.58Å; H18-Y21 WeakPolarHBondContact O-CA 3.22Å; H18-Y21 WeakPolarHBondContact O-CB 3.07Å; H18-Y21 PolarHBondContact O-N 2.95Å; Y21-S23 VanDerWaalsContact C-N 3.34Å; Y21-S23 PolarHBondContact O-N 2.87Å; Y21-N24 PolarHBondContact O-N 3.41Å; Y21-V25 HydrophobicContact CD1-CG2 4Å; Y21-V25 HydrophobicContact CD2-CG2 4.37Å; Y21-V25 HydrophobicContact CE1-CG2 3.54Å; Y21-V25 HydrophobicContact CE2-CG2 3.93Å; Y21-V25 HydrophobicContact CG-CG2 4.39Å; Y21-V25 VanDerWaalsContact CZ-CG2 3.49Å; Y21-V25 WeakPolarHBondContact O-CG2 3.18Å; Y21-V25 PolarHBondContact O-N 2.81Å; Y21-I319 HydrophobicContact CD2-CB 4.41Å; Y21-I319 HydrophobicContact CD2-CG2 4.01Å; Y21-I319 HydrophobicContact CG-CG2 4.38Å; Y21-M407 HydrophobicContact CD1-CE 3.3Å; Y21-M407 HydrophobicContact CD1-CG 3.95Å; Y21-M407 HydrophobicContact CD1-SD 3.59Å; Y21-M407 VanDerWaalsContact CD1-SD 3.59Å; Y21-M407 HydrophobicContact CD2-CE 3.72Å; Y21-M407 HydrophobicContact CE1-CB 4.17Å; Y21-M407 HydrophobicContact CE1-CE 3.79Å; Y21-M407 HydrophobicContact CE1-CG 3.59Å; Y21-M407 HydrophobicContact CE1-SD 3.91Å; Y21-M407 HydrophobicContact CE2-CE 4.18Å; Y21-M407 HydrophobicContact CG-CE 3.25Å; Y21-M407 HydrophobicContact CG-SD 4.17Å; Y21-E411 HydrophobicContact CE2-CG 3.93Å; Y21-E411 PolarHBondContact OH-OE1 3.29Å
22C97.2Very high95.3Very high3 Ų331.4 Ų31.42%0.0217%0.168CC..Hα-helixtrans-59.2-42176.9-170.80000112.7L15 H18 K19 V25 R26L15-C22 HydrophobicContact CB-CB 3.91Å; L15-C22 WeakPolarHBondContact O-CB 3.41Å; H18-C22 PolarHBondContact O-N 2.93Å; K19-C22 WeakPolarHBondContact O-CB 3.17Å; K19-C22 PolarHBondContact O-N 3.02Å; C22-V25 PolarHBondContact O-N 3.1Å; C22-R26 WeakPolarHBondContact O-CB 3.45Å; C22-R26 PolarHBondContact O-N 3.1Å
23S97.1Very high95.4Very high47 Ų4731.4 Ų31.433%0.32917%0.168SC..Hα-helixtrans-61.2-50.5176.5-157.70000110.6K19 G20 Y21 V25 R26 E27K19-S23 PolarHBondContact O-N 3.02Å; G20-S23 PolarHBondContact O-N 3.32Å; Y21-S23 VanDerWaalsContact C-N 3.34Å; Y21-S23 PolarHBondContact O-N 2.87Å; S23-V25 VanDerWaalsContact C-N 3.34Å; S23-V25 PolarHBondContact O-N 3.19Å; S23-R26 WeakPolarHBondContact O-CB 3.37Å; S23-R26 PolarHBondContact O-N 2.85Å; S23-R26 VanDerWaalsContact O-N 3.09Å; S23-E27 WeakPolarHBondContact O-CG 3.21Å; S23-E27 PolarHBondContact O-N 2.93Å; S23-E27 PolarHBondContact OG-OE1 2.72Å
24N97.9Very high95.7Very high6 Ų631.6 Ų31.63%0.03217%0.166CC..Hα-helixtrans-58.4-44.5179-17384000112.2G20 Y21 R26 E27 M28 L312 H315 G316 I319G20-N24 PolarHBondContact O-N 3.42Å; Y21-N24 PolarHBondContact O-N 3.41Å; N24-R26 PolarHBondContact O-N 3.31Å; N24-E27 PolarHBondContact O-N 3.47Å; N24-M28 VanDerWaalsContact O-CB 3.24Å; N24-M28 WeakPolarHBondContact O-CB 3.37Å; N24-M28 PolarHBondContact O-N 2.79Å; N24-L312 PolarHBondContact ND2-O 3.4Å; N24-L312 PolarHBondContact OD1-O 2.87Å; N24-H315 PolarHBondContact OD1-CD2 2.79Å; N24-H315 VanDerWaalsContact OD1-CD2 3.29Å; N24-G316 WeakPolarHBondContact ND2-CA 3.33Å; N24-G316 PolarHBondContact ND2-N 3.15Å; N24-I319 HydrophobicContact CB-CD1 3.76Å
25V97.2Very high95.7Very high0 Ų032.6 Ų32.60%018%0.177CC..Hα-helixtrans-63.1-42.4176.3171.90000111.1L15 Y21 C22 S23 M28 L29L15-V25 HydrophobicContact CD1-CB 4.13Å; L15-V25 HydrophobicContact CD1-CG1 3.78Å; L15-V25 HydrophobicContact CD1-CG2 4.34Å; Y21-V25 HydrophobicContact CD1-CG2 4Å; Y21-V25 HydrophobicContact CD2-CG2 4.37Å; Y21-V25 HydrophobicContact CE1-CG2 3.54Å; Y21-V25 HydrophobicContact CE2-CG2 3.93Å; Y21-V25 HydrophobicContact CG-CG2 4.39Å; Y21-V25 VanDerWaalsContact CZ-CG2 3.49Å; Y21-V25 WeakPolarHBondContact O-CG2 3.18Å; Y21-V25 PolarHBondContact O-N 2.81Å; C22-V25 PolarHBondContact O-N 3.1Å; S23-V25 VanDerWaalsContact C-N 3.34Å; S23-V25 PolarHBondContact O-N 3.19Å; V25-M28 PolarHBondContact O-N 3.28Å; V25-L29 HydrophobicContact CG1-CD1 3.8Å; V25-L29 HydrophobicContact CG1-CG 4.11Å; V25-L29 WeakPolarHBondContact O-CB 3.38Å; V25-L29 WeakPolarHBondContact O-CG 3.39Å; V25-L29 PolarHBondContact O-N 3.32Å
26R96.7Very high95.6Very high80 Ų8041.1 Ų41.130%0.30222%0.217SC..Hα-helixtrans-61.5-49178.5-174-178.1-67.2140-2.9111.3W5 E16 C22 S23 N24 M28 L29 S30W5-R26 HydrophobicContact CD2-CG 4.21Å; W5-R26 HydrophobicContact CE3-CG 4.18Å; W5-R26 HydrophobicContact CH2-CB 4.44Å; W5-R26 HydrophobicContact CH2-CG 3.58Å; W5-R26 WeakPolarHBondContact CH2-O 3.5Å; W5-R26 HydrophobicContact CZ2-CG 3.6Å; W5-R26 HydrophobicContact CZ3-CG 3.88Å; E16-R26 IonicContact OE1-NH2 2.98Å; C22-R26 WeakPolarHBondContact O-CB 3.45Å; C22-R26 PolarHBondContact O-N 3.1Å; S23-R26 WeakPolarHBondContact O-CB 3.37Å; S23-R26 PolarHBondContact O-N 2.85Å; S23-R26 VanDerWaalsContact O-N 3.09Å; N24-R26 PolarHBondContact O-N 3.31Å; R26-M28 PolarHBondContact O-N 3.25Å; R26-L29 PolarHBondContact O-N 3.32Å; R26-S30 WeakPolarHBondContact O-CB 3.11Å; R26-S30 PolarHBondContact O-N 3.49Å
27E96.8Very high95.5Very high91 Ų9138.5 Ų38.543%0.42521%0.213SC..Hα-helixtrans-62.5-42.3178.3-70.5166.9-130.300111.7S23 N24 L29 S30 S31 L312S23-E27 WeakPolarHBondContact O-CG 3.21Å; S23-E27 PolarHBondContact O-N 2.93Å; S23-E27 PolarHBondContact OG-OE1 2.72Å; N24-E27 PolarHBondContact O-N 3.47Å; E27-L29 PolarHBondContact O-N 3.1Å; E27-S30 WeakPolarHBondContact O-CB 3.5Å; E27-S30 PolarHBondContact O-N 3.48Å; E27-S31 PolarHBondContact O-N 3.1Å; E27-L312 HydrophobicContact CB-CD1 3.98Å; E27-L312 HydrophobicContact CB-CD2 3.77Å
28M97.5Very high95.5Very high1 Ų137.3 Ų37.31%0.00521%0.209CC..Hα-helixtrans-64.1-43.1176.4179.6-170.66500112.1N24 V25 R26 S30 S31 M32 R136 L309 L312 I313N24-M28 VanDerWaalsContact O-CB 3.24Å; N24-M28 WeakPolarHBondContact O-CB 3.37Å; N24-M28 PolarHBondContact O-N 2.79Å; V25-M28 PolarHBondContact O-N 3.28Å; R26-M28 PolarHBondContact O-N 3.25Å; M28-S30 VanDerWaalsContact C-N 3.33Å; M28-S31 PolarHBondContact O-N 3.48Å; M28-M32 WeakPolarHBondContact O-CB 3.27Å; M28-M32 PolarHBondContact O-N 3.47Å; M28-R136 HydrophobicContact CE-CG 4.27Å; M28-L309 HydrophobicContact CG-CD1 3.74Å; M28-L312 HydrophobicContact CB-CB 4.02Å; M28-L312 HydrophobicContact CB-CD1 4.48Å; M28-L312 HydrophobicContact CG-CB 4.47Å; M28-I313 HydrophobicContact CG-CG1 4.15Å; M28-I313 HydrophobicContact SD-CG1 3.67Å
29L97Very high95.5Very high0 Ų037.4 Ų37.40%021%0.209CC..Hα-helixtrans-66.6-35.9176-65.6177.9000111.4W5 W8 L11 V25 R26 E27 F33 R136 L140W5-L29 HydrophobicContact CH2-CB 4.06Å; W5-L29 HydrophobicContact CZ3-CB 4.36Å; W8-L29 HydrophobicContact CE3-CD1 4.21Å; W8-L29 HydrophobicContact CZ3-CD1 4.12Å; L11-L29 HydrophobicContact CD2-CD1 4.3Å; V25-L29 HydrophobicContact CG1-CD1 3.8Å; V25-L29 HydrophobicContact CG1-CG 4.11Å; V25-L29 WeakPolarHBondContact O-CB 3.38Å; V25-L29 WeakPolarHBondContact O-CG 3.39Å; V25-L29 PolarHBondContact O-N 3.32Å; R26-L29 PolarHBondContact O-N 3.32Å; E27-L29 PolarHBondContact O-N 3.1Å; L29-F33 HydrophobicContact CB-CD2 4.31Å; L29-F33 HydrophobicContact CD2-CD2 4.01Å; L29-F33 HydrophobicContact CD2-CE2 3.68Å; L29-F33 WeakPolarHBondContact O-CB 3.4Å; L29-F33 PolarHBondContact O-N 3.32Å; L29-R136 HydrophobicContact CD2-CG 4.47Å; L29-L140 HydrophobicContact CD2-CD1 3.89Å
30S96.1Very high95.5Very high28 Ų2832.7 Ų32.720%0.19620%0.196CC..Hα-helixtrans-56.8-58.4171.6169.80000111.1E3 R26 E27 M28 M32 F33 Y34 G35E3-S30 WeakPolarHBondContact OE1-CB 3.39Å; E3-S30 PolarHBondContact OE1-OG 3.19Å; R26-S30 WeakPolarHBondContact O-CB 3.11Å; R26-S30 PolarHBondContact O-N 3.49Å; E27-S30 WeakPolarHBondContact O-CB 3.5Å; E27-S30 PolarHBondContact O-N 3.48Å; M28-S30 VanDerWaalsContact C-N 3.33Å; S30-M32 VanDerWaalsContact C-N 3.3Å; S30-M32 PolarHBondContact O-N 3.48Å; S30-F33 PolarHBondContact O-N 3.19Å; S30-Y34 CarbonylContact O-C 3.29Å; S30-Y34 WeakPolarHBondContact O-CA 3.39Å; S30-Y34 WeakPolarHBondContact O-CB 3.38Å; S30-Y34 PolarHBondContact O-N 2.6Å; S30-G35 PolarHBondContact O-N 3.28Å
31S95.3Very high95.5Very high12 Ų1232.2 Ų32.28%0.08418%0.181CC..Hα-helixtrans-60.8-40.8-177.8-169.50000111.7E27 M28 G35E27-S31 PolarHBondContact O-N 3.1Å; M28-S31 PolarHBondContact O-N 3.48Å; S31-G35 WeakPolarHBondContact O-CA 3.46Å; S31-G35 PolarHBondContact O-N 2.68Å
32M96.2Very high95.5Very high2 Ų232.6 Ų32.61%0.0119%0.185CC..Hα-helixtrans-67.6-49.3179.7-175.5175.3-62.300113.2M28 S30 R44 L132 I133 R136 L309M28-M32 WeakPolarHBondContact O-CB 3.27Å; M28-M32 PolarHBondContact O-N 3.47Å; S30-M32 VanDerWaalsContact C-N 3.3Å; S30-M32 PolarHBondContact O-N 3.48Å; M32-R44 WeakPolarHBondContact O-CD 3.4Å; M32-R44 PolarHBondContact O-NH1 2.86Å; M32-L132 HydrophobicContact CE-CD2 4.29Å; M32-L132 HydrophobicContact CE-CG 3.97Å; M32-I133 HydrophobicContact CG-CG1 3.74Å; M32-I133 HydrophobicContact SD-CG1 4.05Å; M32-R136 HydrophobicContact CE-CB 3.8Å; M32-R136 HydrophobicContact CE-CG 3.93Å; M32-R136 HydrophobicContact SD-CB 3.87Å; M32-R136 HydrophobicContact SD-CG 3.97Å; M32-L309 HydrophobicContact CB-CD1 4.12Å; M32-L309 HydrophobicContact CB-CD2 4.33Å; M32-L309 HydrophobicContact CE-CD1 4.19Å
33F96.3Very high95.6Very high0 Ų034.8 Ų34.80%020%0.195CC..Hα-helixtrans-101-22.1-167.8-71.3-56.8000115.1W8 L29 S30 I41 Q45 A48 H64 I133W8-F33 HydrophobicContact CH2-CD2 4.36Å; W8-F33 HydrophobicContact CH2-CE2 4.15Å; W8-F33 HydrophobicContact CZ2-CD2 4.19Å; W8-F33 HydrophobicContact CZ2-CE2 4.42Å; L29-F33 HydrophobicContact CB-CD2 4.31Å; L29-F33 HydrophobicContact CD2-CD2 4.01Å; L29-F33 HydrophobicContact CD2-CE2 3.68Å; L29-F33 WeakPolarHBondContact O-CB 3.4Å; L29-F33 PolarHBondContact O-N 3.32Å; S30-F33 PolarHBondContact O-N 3.19Å; F33-I41 WeakPolarHBondContact O-CG2 3.49Å; F33-Q45 PolarHBondContact O-NE2 2.71Å; F33-A48 HydrophobicContact CE1-CB 3.66Å; F33-A48 HydrophobicContact CZ-CB 3.96Å; F33-H64 AromaticContact CE1-CE1 3.78Å; F33-H64 AromaticContact CE2-CE1 3.94Å; F33-H64 AromaticContact CZ-CE1 3.6Å; F33-I133 HydrophobicContact CE1-CG2 3.73Å; F33-I133 HydrophobicContact CZ-CG2 4.19Å
34Y94.9Very high95.6Very high20 Ų2032.9 Ų32.98%0.07818%0.18CC..THydrogen-bonded Turntrans-124.2-21.5-175.8-54.2-58.3000113.4E3 W8 S30 E67 R70E3-Y34 HydrophobicContact CB-CD2 4.44Å; E3-Y34 HydrophobicContact CG-CD2 4.02Å; E3-Y34 HydrophobicContact CG-CG 4.19Å; W8-Y34 PolarHBondContact NE1-OH 2.69Å; S30-Y34 CarbonylContact O-C 3.29Å; S30-Y34 WeakPolarHBondContact O-CA 3.39Å; S30-Y34 WeakPolarHBondContact O-CB 3.38Å; S30-Y34 PolarHBondContact O-N 2.6Å; Y34-E67 WeakPolarHBondContact CE1-OE2 3.41Å; Y34-E67 VanDerWaalsContact CZ-OE2 3.22Å; Y34-E67 VanDerWaalsContact OH-CD 3.28Å; Y34-E67 PolarHBondContact OH-OE2 3.04Å; Y34-R70 VanDerWaalsContact CE1-NH2 3.32Å
35G91.9Very high95.6Very high22 Ų2232.6 Ų32.623%0.22718%0.179CC..SBendtrans-72.8169.6179.400000114.9S30 S31 R44S30-G35 PolarHBondContact O-N 3.28Å; S31-G35 WeakPolarHBondContact O-CA 3.46Å; S31-G35 PolarHBondContact O-N 2.68Å; G35-R44 VanDerWaalsContact O-CZ 3.27Å; G35-R44 PolarHBondContact O-NH1 2.94Å; G35-R44 PolarHBondContact O-NH2 3.13Å
36E90.6Very high95.7Very high180 Ų18032.6 Ų32.684%0.84118%0.179SC*.  trans-64.2154.7173.5-68-61.3150.100111.8R44E36-R44 VanDerWaalsContact C-NH2 3.33Å
37G91.2Very high95.7Very high32 Ų3228.8 Ų28.833%0.3316%0.164SC..SBendtrans163.4177-179.200000113.6L39 R44G37-L39 PolarHBondContact O-N 3.3Å; G37-R44 PolarHBondContact O-NH2 2.9Å
38P92.8Very high95.8Very high33 Ų3324.4 Ų24.421%0.21414%0.144CC..SBendtrans-69.4-18.3-167.528-35.9000114.1N125 E126 C129P38-N125 HydrophobicContact CB-CB 4.32Å; P38-E126 HydrophobicContact CB-CG 3.88Å; P38-C129 HydrophobicContact CG-CB 3.69Å
39L94.4Very high95.9Very high3 Ų324.4 Ų24.42%0.01614%0.144CC..SBendtrans-108.4141178.8-70.5170.2000111.5G37 R44 I47 W122 E126 C129G37-L39 PolarHBondContact O-N 3.3Å; L39-R44 HydrophobicContact CB-CG 3.82Å; L39-R44 VanDerWaalsContact O-CZ 3.3Å; L39-R44 PolarHBondContact O-NE 3.37Å; L39-R44 PolarHBondContact O-NH2 3.14Å; L39-I47 HydrophobicContact CD1-CD1 3.76Å; L39-W122 HydrophobicContact CD1-CZ3 4.02Å; L39-W122 HydrophobicContact CD2-CH2 4.3Å; L39-W122 HydrophobicContact CD2-CZ3 3.76Å; L39-W122 HydrophobicContact CG-CZ3 4.44Å; L39-E126 HydrophobicContact CD2-CB 3.89Å; L39-E126 HydrophobicContact CD2-CG 3.87Å; L39-E126 HydrophobicContact CG-CB 4.2Å; L39-E126 HydrophobicContact CG-CG 4.24Å; L39-C129 HydrophobicContact CD1-CB 4.23Å
40P95.4Very high96Very high72 Ų7224.4 Ų24.447%0.46814%0.144SC..  trans-58.7144.9169.8-2232.4000111.9A42 H43 R44P40-A42 VanDerWaalsContact C-N 3.31Å; P40-A42 PolarHBondContact O-N 3.26Å; P40-H43 WeakPolarHBondContact O-CA 3.38Å; P40-H43 WeakPolarHBondContact O-CB 3.35Å; P40-H43 PolarHBondContact O-N 3.07Å; P40-R44 PolarHBondContact O-N 3.02Å; P40-R44 VanDerWaalsContact O-N 3.14Å
41I96.6Very high96.1Very high41 Ų4123 Ų2321%0.2114%0.135CC..Hα-helixtrans-51.5-48.3-178-66.7173.3000111.8M1 F33 H43 R44 Q45 A71M1-I41 HydrophobicContact CE-CB 4.46Å; M1-I41 HydrophobicContact CE-CD1 4.02Å; M1-I41 HydrophobicContact CE-CG2 4Å; F33-I41 WeakPolarHBondContact O-CG2 3.49Å; I41-H43 VanDerWaalsContact C-N 3.26Å; I41-H43 PolarHBondContact O-N 3.28Å; I41-R44 WeakPolarHBondContact O-CB 3.25Å; I41-R44 PolarHBondContact O-N 3.15Å; I41-R44 VanDerWaalsContact O-N 3.07Å; I41-Q45 HydrophobicContact CG2-CG 4.41Å; I41-Q45 WeakPolarHBondContact O-CG 3.34Å; I41-Q45 PolarHBondContact O-N 3.37Å; I41-A71 HydrophobicContact CB-CB 4.28Å; I41-A71 HydrophobicContact CG2-CB 3.62Å
42A97.3Very high96.2Very high12 Ų1222.5 Ų22.510%0.09913%0.131CC..Hα-helixtrans-58.2-36.9177.900000112.7P40 Q45 Y46 F68 A71P40-A42 VanDerWaalsContact C-N 3.31Å; P40-A42 PolarHBondContact O-N 3.26Å; A42-Q45 PolarHBondContact O-N 3.24Å; A42-Y46 PolarHBondContact O-N 3.48Å; A42-F68 HydrophobicContact CB-CD2 4.2Å; A42-F68 HydrophobicContact CB-CE2 4.19Å; A42-F68 WeakPolarHBondContact O-CD2 3.31Å; A42-A71 HydrophobicContact CB-CB 4.02Å
43H97.5Very high96.3Very high48 Ų4822.4 Ų22.422%0.22213%0.13CC..Hα-helixtrans-67.5-40177.5-68.945.7000111P40 I41 Q45 Y46 I47 W77 I88P40-H43 WeakPolarHBondContact O-CA 3.38Å; P40-H43 WeakPolarHBondContact O-CB 3.35Å; P40-H43 PolarHBondContact O-N 3.07Å; I41-H43 VanDerWaalsContact C-N 3.26Å; I41-H43 PolarHBondContact O-N 3.28Å; H43-Q45 PolarHBondContact O-N 3.5Å; H43-Y46 PolarHBondContact O-N 3.45Å; H43-I47 WeakPolarHBondContact O-CD1 3.23Å; H43-I47 WeakPolarHBondContact O-CG1 3.17Å; H43-I47 PolarHBondContact O-N 2.8Å; H43-W77 AromaticContact CE1-CH2 3.79Å; H43-W77 AromaticContact NE2-CH2 3.64Å; H43-I88 HydrophobicContact CB-CD1 4.3Å
44R97.8Very high96.4Very high7 Ų722.5 Ų22.53%0.02613%0.13CC..Hα-helixtrans-61-44.1175.9-57.3-173.2-158.2173.411.4111.9M32 G35 E36 G37 L39 P40 I41 Y46 I47 A48 I133M32-R44 WeakPolarHBondContact O-CD 3.4Å; M32-R44 PolarHBondContact O-NH1 2.86Å; G35-R44 VanDerWaalsContact O-CZ 3.27Å; G35-R44 PolarHBondContact O-NH1 2.94Å; G35-R44 PolarHBondContact O-NH2 3.13Å; E36-R44 VanDerWaalsContact C-NH2 3.33Å; G37-R44 PolarHBondContact O-NH2 2.9Å; L39-R44 HydrophobicContact CB-CG 3.82Å; L39-R44 VanDerWaalsContact O-CZ 3.3Å; L39-R44 PolarHBondContact O-NE 3.37Å; L39-R44 PolarHBondContact O-NH2 3.14Å; P40-R44 PolarHBondContact O-N 3.02Å; P40-R44 VanDerWaalsContact O-N 3.14Å; I41-R44 WeakPolarHBondContact O-CB 3.25Å; I41-R44 PolarHBondContact O-N 3.15Å; I41-R44 VanDerWaalsContact O-N 3.07Å; R44-Y46 VanDerWaalsContact C-N 3.35Å; R44-Y46 PolarHBondContact O-N 3.26Å; R44-I47 PolarHBondContact O-N 3.4Å; R44-A48 PolarHBondContact O-N 2.64Å; R44-I133 HydrophobicContact CB-CD1 3.67Å; R44-I133 HydrophobicContact CG-CD1 3.65Å
45Q98.1Very high96.4Very high0 Ų021.5 Ų21.50%013%0.127CC..Hα-helixtrans-61.9-42.1176.1-61.8-63.1-13.900111.6F33 I41 A42 H43 A48 L49 H64 E67 F68F33-Q45 PolarHBondContact O-NE2 2.71Å; I41-Q45 HydrophobicContact CG2-CG 4.41Å; I41-Q45 WeakPolarHBondContact O-CG 3.34Å; I41-Q45 PolarHBondContact O-N 3.37Å; A42-Q45 PolarHBondContact O-N 3.24Å; H43-Q45 PolarHBondContact O-N 3.5Å; Q45-A48 PolarHBondContact O-N 2.93Å; Q45-L49 PolarHBondContact O-N 3.13Å; Q45-H64 PolarHBondContact OE1-ND1 3.42Å; Q45-E67 VanDerWaalsContact CD-CB 3.45Å; Q45-E67 HydrophobicContact CG-CB 4Å; Q45-F68 HydrophobicContact CB-CB 3.93Å
46Y98.5Very high96.6Very high0 Ų022 Ų220%012%0.123CC..Hα-helixtrans-67.2-39.4177.4-160.7-87.4000112.7A42 H43 R44 A48 L49 M50 F68 W77 L78 G80 L81 A84 I88 F262A42-Y46 PolarHBondContact O-N 3.48Å; H43-Y46 PolarHBondContact O-N 3.45Å; R44-Y46 VanDerWaalsContact C-N 3.35Å; R44-Y46 PolarHBondContact O-N 3.26Å; Y46-A48 VanDerWaalsContact C-N 3.31Å; Y46-A48 PolarHBondContact O-N 3.37Å; Y46-L49 HydrophobicContact CD2-CD2 4.34Å; Y46-L49 HydrophobicContact CE2-CD2 4.31Å; Y46-L49 WeakPolarHBondContact O-CB 3.36Å; Y46-L49 PolarHBondContact O-N 3.43Å; Y46-M50 HydrophobicContact CD1-CG 4.05Å; Y46-M50 HydrophobicContact CD1-SD 3.97Å; Y46-M50 HydrophobicContact CE1-CG 4.01Å; Y46-M50 HydrophobicContact CE1-SD 4.06Å; Y46-M50 WeakPolarHBondContact O-CG 3.48Å; Y46-M50 PolarHBondContact O-N 2.76Å; Y46-F68 HydrophobicContact CD2-CD2 4.02Å; Y46-F68 AromaticContact CD2-CE2 3.8Å; Y46-F68 HydrophobicContact CD2-CE2 3.8Å; Y46-F68 HydrophobicContact CD2-CZ 4.13Å; Y46-F68 HydrophobicContact CG-CD2 4.46Å; Y46-F68 HydrophobicContact CG-CE2 4.28Å; Y46-W77 HydrophobicContact CD1-CE3 4.26Å; Y46-W77 HydrophobicContact CD2-CB 4.11Å; Y46-W77 AromaticContact CD2-CE3 3.85Å; Y46-W77 HydrophobicContact CD2-CE3 3.85Å; Y46-W77 HydrophobicContact CE2-CB 3.59Å; Y46-W77 HydrophobicContact CE2-CE3 4.18Å; Y46-W77 WeakPolarHBondContact CE2-O 3.44Å; Y46-W77 AromaticContact CG-CE3 3.88Å; Y46-W77 HydrophobicContact CG-CE3 3.88Å; Y46-W77 HydrophobicContact CG-CZ3 4.36Å; Y46-W77 PolarHBondContact OH-O 3.36Å; Y46-L78 HydrophobicContact CD2-CD2 4.47Å; Y46-L78 HydrophobicContact CE2-CD2 4.28Å; Y46-G80 VanDerWaalsContact OH-C 3.3Å; Y46-G80 PolarHBondContact OH-O 2.6Å; Y46-L81 HydrophobicContact CE1-CD1 4.03Å; Y46-L81 WeakPolarHBondContact OH-CA 3.34Å; Y46-L81 PolarHBondContact OH-N 3.24Å; Y46-A84 HydrophobicContact CD1-CB 4.46Å; Y46-A84 HydrophobicContact CE1-CB 3.76Å; Y46-I88 HydrophobicContact CD1-CG2 3.49Å; Y46-I88 VanDerWaalsContact CD1-CG2 3.49Å; Y46-I88 HydrophobicContact CE1-CG2 3.71Å; Y46-F262 HydrophobicContact CE2-CD1 4.43Å
47I98.7Very high96.8Very high0 Ų013.5 Ų13.50%08%0.083CC..Hα-helixtrans-60.5-43.2174.7-68.2164.1000110.4L39 H43 R44 M50 A51 I88 L91 W122 I133 L134L39-I47 HydrophobicContact CD1-CD1 3.76Å; H43-I47 WeakPolarHBondContact O-CD1 3.23Å; H43-I47 WeakPolarHBondContact O-CG1 3.17Å; H43-I47 PolarHBondContact O-N 2.8Å; R44-I47 PolarHBondContact O-N 3.4Å; I47-M50 WeakPolarHBondContact O-CB 3.36Å; I47-M50 PolarHBondContact O-N 3.14Å; I47-A51 PolarHBondContact O-N 3.42Å; I47-A51 VanDerWaalsContact O-N 3.08Å; I47-I88 HydrophobicContact CD1-CD1 4Å; I47-I88 HydrophobicContact CG1-CD1 3.79Å; I47-L91 HydrophobicContact CB-CD2 4.44Å; I47-L91 HydrophobicContact CD1-CD2 4.07Å; I47-L91 HydrophobicContact CG1-CD2 3.84Å; I47-L91 HydrophobicContact CG2-CD2 3.78Å; I47-W122 HydrophobicContact CD1-CH2 3.88Å; I47-I133 HydrophobicContact CB-CG2 4.26Å; I47-I133 HydrophobicContact CG2-CB 4.16Å; I47-I133 HydrophobicContact CG2-CG2 3.84Å; I47-L134 HydrophobicContact CG2-CD2 3.57Å; I47-L134 HydrophobicContact CG2-CG 3.7Å
48A98.7Very high97Very high0 Ų016.3 Ų16.30%09%0.088CC..Hα-helixtrans-65.7-37.5175.100000112.5F33 R44 Q45 Y46 M50 A51 A52 H64 I133 T137F33-A48 HydrophobicContact CE1-CB 3.66Å; F33-A48 HydrophobicContact CZ-CB 3.96Å; R44-A48 PolarHBondContact O-N 2.64Å; Q45-A48 PolarHBondContact O-N 2.93Å; Y46-A48 VanDerWaalsContact C-N 3.31Å; Y46-A48 PolarHBondContact O-N 3.37Å; A48-M50 VanDerWaalsContact C-N 3.32Å; A48-M50 PolarHBondContact O-N 3.12Å; A48-A51 PolarHBondContact O-N 3Å; A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 3.29Å; A48-H64 HydrophobicContact CB-CB 4.46Å; A48-H64 VanDerWaalsContact CB-CE1 3.46Å; A48-H64 WeakPolarHBondContact CB-CE1 3.41Å; A48-H64 WeakPolarHBondContact CB-NE2 3.42Å; A48-I133 HydrophobicContact CB-CG2 3.87Å; A48-T137 HydrophobicContact CB-CG2 4.22Å; A48-T137 WeakPolarHBondContact CB-OG1 3.22Å; A48-T137 WeakPolarHBondContact O-CG2 3.13Å
49L98.5Very high97Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-57.3-44.5171.1172.161000111.6Q45 Y46 A51 A52 C53 I61 H64 K65 L78 F262Q45-L49 PolarHBondContact O-N 3.13Å; Y46-L49 HydrophobicContact CD2-CD2 4.34Å; Y46-L49 HydrophobicContact CE2-CD2 4.31Å; Y46-L49 WeakPolarHBondContact O-CB 3.36Å; Y46-L49 PolarHBondContact O-N 3.43Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 2.94Å; L49-A52 PolarHBondContact O-N 3.48Å; L49-C53 WeakPolarHBondContact O-CB 3.35Å; L49-C53 PolarHBondContact O-N 3.27Å; L49-C53 PolarHBondContact O-SG 2.84Å; L49-I61 HydrophobicContact CD1-CB 4.21Å; L49-I61 HydrophobicContact CD1-CG1 4.22Å; L49-I61 HydrophobicContact CD1-CG2 3.85Å; L49-H64 HydrophobicContact CB-CB 4.1Å; L49-K65 HydrophobicContact CD1-CG 3.98Å; L49-K65 HydrophobicContact CD2-CG 3.87Å; L49-L78 HydrophobicContact CD2-CD2 3.89Å; L49-F262 HydrophobicContact CD2-CD1 3.74Å; L49-F262 HydrophobicContact CD2-CE1 3.83Å; L49-F262 HydrophobicContact CD2-CG 4.22Å; L49-F262 HydrophobicContact CD2-CZ 4.37Å; L49-F262 HydrophobicContact CG-CD1 4.24Å; L49-F262 HydrophobicContact CG-CG 4.25Å
50M98.6Very high97.1Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-60.6-42.2176.5-63.2170.46100111.9Y46 I47 A48 R54 L81 I88 L91 D92 N95 F262Y46-M50 HydrophobicContact CD1-CG 4.05Å; Y46-M50 HydrophobicContact CD1-SD 3.97Å; Y46-M50 HydrophobicContact CE1-CG 4.01Å; Y46-M50 HydrophobicContact CE1-SD 4.06Å; Y46-M50 WeakPolarHBondContact O-CG 3.48Å; Y46-M50 PolarHBondContact O-N 2.76Å; I47-M50 WeakPolarHBondContact O-CB 3.36Å; I47-M50 PolarHBondContact O-N 3.14Å; A48-M50 VanDerWaalsContact C-N 3.32Å; A48-M50 PolarHBondContact O-N 3.12Å; M50-R54 PolarHBondContact O-N 3.12Å; M50-L81 HydrophobicContact CE-CD1 3.73Å; M50-L81 HydrophobicContact CE-CD2 4.32Å; M50-L81 HydrophobicContact CG-CD1 4.4Å; M50-L81 HydrophobicContact SD-CD1 3.82Å; M50-I88 HydrophobicContact SD-CG2 3.61Å; M50-L91 HydrophobicContact CE-CB 4.48Å; M50-D92 HydrophobicContact CE-CB 3.95Å; M50-N95 PolarHBondContact O-ND2 3.44Å; M50-F262 WeakPolarHBondContact CG-O 3.25Å
51A98.7Very high97.1Very high0 Ų012 Ų120%06%0.058CC..Hα-helixtrans-67-45.7177.700000112.5I47 A48 L49 C53 R54 L134 T137 H138I47-A51 PolarHBondContact O-N 3.42Å; I47-A51 VanDerWaalsContact O-N 3.08Å; A48-A51 PolarHBondContact O-N 3Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 2.94Å; A51-C53 PolarHBondContact O-N 3.31Å; A51-R54 VanDerWaalsContact O-CB 3.3Å; A51-R54 WeakPolarHBondContact O-CB 3.09Å; A51-R54 PolarHBondContact O-N 3.18Å; A51-L134 HydrophobicContact CB-CD2 3.78Å; A51-T137 HydrophobicContact CB-CG2 3.8Å; A51-H138 WeakPolarHBondContact CA-NE2 3.41Å; A51-H138 WeakPolarHBondContact CB-NE2 3.47Å; A51-H138 PolarHBondContact O-CD2 3.45Å
52A98.2Very high97Very high0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-60.2-36.2177.300000112.1A48 L49 R54 H55 H56 C57 L60 I61 T137A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 3.29Å; L49-A52 PolarHBondContact O-N 3.48Å; A52-R54 VanDerWaalsContact C-N 3.28Å; A52-R54 PolarHBondContact O-N 3.33Å; A52-H55 CarbonylContact O-C 3.53Å; A52-H55 PolarHBondContact O-N 2.97Å; A52-H56 PolarHBondContact O-N 2.92Å; A52-C57 HydrophobicContact CB-CB 4.49Å; A52-C57 PolarHBondContact O-N 3.44Å; A52-C57 VanDerWaalsContact O-N 3.13Å; A52-L60 HydrophobicContact CB-CB 3.65Å; A52-I61 HydrophobicContact CB-CG1 3.87Å; A52-T137 HydrophobicContact CB-CG2 4.08Å
53C97.8Very high96.9Very high0 Ų012.8 Ų12.80%06%0.064CC..Hα-helixtrans-64-27.2175.2-69.20000113.5L49 A51 H55 H56 C259 F262 T263L49-C53 WeakPolarHBondContact O-CB 3.35Å; L49-C53 PolarHBondContact O-N 3.27Å; L49-C53 PolarHBondContact O-SG 2.84Å; A51-C53 PolarHBondContact O-N 3.31Å; C53-H55 PolarHBondContact O-N 2.92Å; C53-H56 PolarHBondContact O-N 3.23Å; C53-C259 HydrophobicContact CB-CB 3.93Å; C53-F262 HydrophobicContact CB-CB 4.35Å; C53-T263 HydrophobicContact CB-CG2 3.61Å
54R97.4Very high96.8Very high2 Ų210.5 Ų10.51%0.0085%0.054CC..Hα-helixtrans-61.8-25.6176.1-66.7-54.5-54168.1-0.7113.3M50 A51 A52 N95 A99 H100 T263 G264 A265 Y268M50-R54 PolarHBondContact O-N 3.12Å; A51-R54 VanDerWaalsContact O-CB 3.3Å; A51-R54 WeakPolarHBondContact O-CB 3.09Å; A51-R54 PolarHBondContact O-N 3.18Å; A52-R54 VanDerWaalsContact C-N 3.28Å; A52-R54 PolarHBondContact O-N 3.33Å; R54-N95 WeakPolarHBondContact CG-OD1 3.41Å; R54-A99 HydrophobicContact CB-CB 3.93Å; R54-A99 HydrophobicContact CG-CB 3.95Å; R54-H100 PolarHBondContact NE-NE2 2.95Å; R54-H100 PolarHBondContact NH2-CD2 3.24Å; R54-H100 PolarHBondContact NH2-NE2 3.44Å; R54-T263 WeakPolarHBondContact CD-OG1 3.22Å; R54-T263 PolarHBondContact NH1-OG1 3.26Å; R54-G264 PolarHBondContact NH1-O 3.42Å; R54-A265 PolarHBondContact NH1-O 3.1Å; R54-A265 PolarHBondContact NH2-O 3.46Å; R54-Y268 PolarHBondContact NH2-O 3.41Å
55H96.4Very high96.8Very high0 Ų013 Ų130%07%0.065CC..THydrogen-bonded Turntrans-120.315.9-178-67.6-58.3000112.8A52 C53 C57 H100 H138 C141 H145 P382 E383 R413A52-H55 CarbonylContact O-C 3.53Å; A52-H55 PolarHBondContact O-N 2.97Å; C53-H55 PolarHBondContact O-N 2.92Å; H55-C57 PolarHBondContact O-N 3.06Å; H55-H100 AromaticContact CE1-CE1 3.58Å; H55-H138 AromaticContact CD2-CD2 3.76Å; H55-H138 AromaticContact NE2-CD2 3.92Å; H55-C141 HydrophobicContact CB-CB 3.8Å; H55-H145 PolarHBondContact O-NE2 3.49Å; H55-P382 HydrophobicContact CB-CG 3.93Å; H55-P382 WeakPolarHBondContact ND1-CD 3.39Å; H55-P382 WeakPolarHBondContact ND1-CG 3.24Å; H55-E383 IonicContact CG-OE2 2.92Å; H55-E383 IonicContact ND1-OE2 3.69Å; H55-E383 PolarHBondContact ND1-OE2 2.73Å; H55-E383 WeakPolarHBondContact O-CB 3.22Å; H55-R413 PolarHBondContact CE1-NH2 3.28Å; H55-R413 PolarHBondContact NE2-NH2 2.93Å
56H95.4Very high96.6Very high33 Ų3315 Ų1515%0.1538%0.081CC..THydrogen-bonded Turntrans49.136.6178.3-56.2-95.3000113.6A52 C53 E58 L257 C259 R269 E383A52-H56 PolarHBondContact O-N 2.92Å; C53-H56 PolarHBondContact O-N 3.23Å; H56-E58 PolarHBondContact O-N 3.22Å; H56-L257 HydrophobicContact CB-CD1 4.27Å; H56-C259 PolarHBondContact ND1-SG 3.06Å; H56-R269 PolarHBondContact NE2-NH2 3.5Å; H56-E383 HydrophobicContact CB-CB 4.31Å
57C95.8Very high96.5Very high0 Ų015.1 Ų15.10%08%0.081CC..  trans-82.489.2-174.5-1730000110.3A52 H55 F59 L60 I61 C141A52-C57 HydrophobicContact CB-CB 4.49Å; A52-C57 PolarHBondContact O-N 3.44Å; A52-C57 VanDerWaalsContact O-N 3.13Å; H55-C57 PolarHBondContact O-N 3.06Å; C57-F59 VanDerWaalsContact C-N 3.28Å; C57-F59 PolarHBondContact O-N 2.91Å; C57-L60 HydrophobicContact CB-CB 4.38Å; C57-L60 PolarHBondContact O-N 3.19Å; C57-I61 WeakPolarHBondContact O-CB 3.38Å; C57-I61 VanDerWaalsContact O-CG1 3.26Å; C57-I61 WeakPolarHBondContact O-CG1 3.37Å; C57-I61 PolarHBondContact O-N 3.49Å; C57-C141 HydrophobicContact CB-CB 4.13Å; C57-C141 WeakPolarHBondContact CB-SG 3.41Å
58E93.5Very high96.4Very high91 Ų9115.2 Ų15.243%0.4258%0.082SC..Hα-helixtrans-51.5-43.4-175.1-179.3175.4-166.400113.5H56 I61 T62 L257H56-E58 PolarHBondContact O-N 3.22Å; E58-I61 PolarHBondContact O-N 3.26Å; E58-T62 WeakPolarHBondContact O-CB 3.48Å; E58-T62 PolarHBondContact O-N 3.03Å; E58-T62 PolarHBondContact O-OG1 3.49Å; E58-L257 HydrophobicContact CB-CD1 4.13Å; E58-L257 HydrophobicContact CB-CD2 4.22Å; E58-L257 HydrophobicContact CG-CD2 3.99Å
59F94.6Very high96.3Very high12 Ų1219.1 Ų19.15%0.05310%0.102CC..Hα-helixtrans-58.7-54.6178.3173.6-104.3000111.7I7 W8 P10 L11 C57 I61 T62 V63 I144I7-F59 WeakPolarHBondContact O-CE2 3.26Å; I7-F59 WeakPolarHBondContact O-CZ 3.48Å; W8-F59 HydrophobicContact CE3-CE1 4.49Å; P10-F59 HydrophobicContact CB-CD2 4.26Å; P10-F59 HydrophobicContact CB-CE2 3.71Å; P10-F59 HydrophobicContact CB-CZ 4.13Å; P10-F59 HydrophobicContact CG-CD2 4.37Å; P10-F59 HydrophobicContact CG-CE2 3.67Å; P10-F59 HydrophobicContact CG-CZ 4.35Å; L11-F59 HydrophobicContact CB-CE1 3.87Å; L11-F59 HydrophobicContact CB-CZ 4.12Å; C57-F59 VanDerWaalsContact C-N 3.28Å; C57-F59 PolarHBondContact O-N 2.91Å; F59-I61 PolarHBondContact O-N 2.93Å; F59-T62 WeakPolarHBondContact O-CB 3.21Å; F59-T62 PolarHBondContact O-N 3.35Å; F59-V63 HydrophobicContact CD1-CG2 4.34Å; F59-V63 HydrophobicContact CD2-CG2 4.29Å; F59-V63 HydrophobicContact CE1-CG2 3.97Å; F59-V63 HydrophobicContact CE2-CG2 3.87Å; F59-V63 HydrophobicContact CZ-CG2 3.73Å; F59-V63 VanDerWaalsContact O-CG2 3.28Å; F59-V63 WeakPolarHBondContact O-CG2 3.19Å; F59-V63 PolarHBondContact O-N 3.19Å; F59-I144 HydrophobicContact CB-CG2 4.36Å; F59-I144 HydrophobicContact CD1-CD1 3.63Å; F59-I144 HydrophobicContact CD1-CG1 4.31Å; F59-I144 HydrophobicContact CE1-CD1 4.19Å
60L96.1Very high96.2Very high0 Ų023.1 Ų23.10%012%0.117CC..Hα-helixtrans-68.6-34.3-179.4-69.1177.6000112.6W8 A52 C57 T62 V63 H64 T137 L140 I144W8-L60 HydrophobicContact CH2-CD2 4.12Å; W8-L60 HydrophobicContact CZ3-CD2 3.7Å; A52-L60 HydrophobicContact CB-CB 3.65Å; C57-L60 HydrophobicContact CB-CB 4.38Å; C57-L60 PolarHBondContact O-N 3.19Å; L60-T62 VanDerWaalsContact C-N 3.26Å; L60-T62 PolarHBondContact O-N 3.07Å; L60-V63 PolarHBondContact O-N 2.93Å; L60-H64 WeakPolarHBondContact O-CB 3.4Å; L60-H64 PolarHBondContact O-CD2 2.9Å; L60-H64 PolarHBondContact O-N 3.25Å; L60-T137 HydrophobicContact CD1-CG2 3.98Å; L60-L140 HydrophobicContact CD1-CB 3.78Å; L60-I144 HydrophobicContact CD1-CD1 3.61Å; L60-I144 HydrophobicContact CD2-CD1 3.79Å; L60-I144 HydrophobicContact CG-CD1 3.45Å; L60-I144 VanDerWaalsContact CG-CD1 3.45Å
61I95.6Very high96Very high5 Ų524.2 Ų24.23%0.02613%0.126CC..Hα-helixtrans-58.2-44.2172.6-70.8167.1000109.9L49 A52 C57 E58 F59 K65 L257L49-I61 HydrophobicContact CD1-CB 4.21Å; L49-I61 HydrophobicContact CD1-CG1 4.22Å; L49-I61 HydrophobicContact CD1-CG2 3.85Å; A52-I61 HydrophobicContact CB-CG1 3.87Å; C57-I61 WeakPolarHBondContact O-CB 3.38Å; C57-I61 VanDerWaalsContact O-CG1 3.26Å; C57-I61 WeakPolarHBondContact O-CG1 3.37Å; C57-I61 PolarHBondContact O-N 3.49Å; E58-I61 PolarHBondContact O-N 3.26Å; F59-I61 PolarHBondContact O-N 2.93Å; I61-K65 HydrophobicContact CG2-CD 4.1Å; I61-K65 WeakPolarHBondContact O-CB 3.41Å; I61-K65 VanDerWaalsContact O-CG 3.27Å; I61-K65 WeakPolarHBondContact O-CG 3.43Å; I61-K65 PolarHBondContact O-N 3.24Å; I61-L257 HydrophobicContact CD1-CB 4.41Å; I61-L257 HydrophobicContact CD1-CD1 4.17Å
62T94.2Very high95.9Very high70 Ų7027.4 Ų27.443%0.42916%0.16SC..Hα-helixtrans-66.9-48.6179.1-58.20000111.4E58 F59 L60 H64 K65 A66E58-T62 WeakPolarHBondContact O-CB 3.48Å; E58-T62 PolarHBondContact O-N 3.03Å; E58-T62 PolarHBondContact O-OG1 3.49Å; F59-T62 WeakPolarHBondContact O-CB 3.21Å; F59-T62 PolarHBondContact O-N 3.35Å; L60-T62 VanDerWaalsContact C-N 3.26Å; L60-T62 PolarHBondContact O-N 3.07Å; T62-H64 PolarHBondContact O-N 3.14Å; T62-K65 PolarHBondContact O-N 3.01Å; T62-A66 PolarHBondContact O-N 3.32Å; T62-A66 VanDerWaalsContact O-N 3.1Å
63V94.5Very high95.9Very high1 Ų127.9 Ų27.91%0.00616%0.164CC..Hα-helixtrans-54-56.3177170.40000110.5I7 W8 F59 L60 K65 A66 E67I7-V63 HydrophobicContact CD1-CB 4.48Å; I7-V63 HydrophobicContact CD1-CG2 4.44Å; I7-V63 HydrophobicContact CG1-CB 4.5Å; I7-V63 HydrophobicContact CG1-CG2 3.97Å; I7-V63 HydrophobicContact CG2-CG1 4.12Å; I7-V63 HydrophobicContact CG2-CG2 4.49Å; W8-V63 HydrophobicContact CD2-CG1 4.05Å; W8-V63 HydrophobicContact CE3-CG1 4.39Å; W8-V63 HydrophobicContact CH2-CG1 3.89Å; W8-V63 HydrophobicContact CZ2-CG1 3.47Å; W8-V63 VanDerWaalsContact CZ2-CG1 3.47Å; W8-V63 HydrophobicContact CZ3-CG1 4.32Å; F59-V63 HydrophobicContact CD1-CG2 4.34Å; F59-V63 HydrophobicContact CD2-CG2 4.29Å; F59-V63 HydrophobicContact CE1-CG2 3.97Å; F59-V63 HydrophobicContact CE2-CG2 3.87Å; F59-V63 HydrophobicContact CZ-CG2 3.73Å; F59-V63 VanDerWaalsContact O-CG2 3.28Å; F59-V63 WeakPolarHBondContact O-CG2 3.19Å; F59-V63 PolarHBondContact O-N 3.19Å; L60-V63 PolarHBondContact O-N 2.93Å; V63-K65 PolarHBondContact O-N 3.13Å; V63-A66 PolarHBondContact O-N 3.17Å; V63-E67 HydrophobicContact CG1-CG 4.31Å; V63-E67 WeakPolarHBondContact O-CB 3.48Å; V63-E67 VanDerWaalsContact O-CG 3.3Å; V63-E67 WeakPolarHBondContact O-CG 3.38Å; V63-E67 PolarHBondContact O-N 3.37Å
64H96.6Very high95.9Very high0 Ų031.6 Ų31.60%018%0.184CC..Hα-helixtrans-73.1-26.5-172.7-68.4-57.1000113.4W8 F33 Q45 A48 L49 L60 T62 F68W8-H64 AromaticContact CH2-CE1 3.63Å; W8-H64 AromaticContact CH2-NE2 3.81Å; W8-H64 AromaticContact CZ2-CE1 3.83Å; F33-H64 AromaticContact CE1-CE1 3.78Å; F33-H64 AromaticContact CE2-CE1 3.94Å; F33-H64 AromaticContact CZ-CE1 3.6Å; Q45-H64 PolarHBondContact OE1-ND1 3.42Å; A48-H64 HydrophobicContact CB-CB 4.46Å; A48-H64 VanDerWaalsContact CB-CE1 3.46Å; A48-H64 WeakPolarHBondContact CB-CE1 3.41Å; A48-H64 WeakPolarHBondContact CB-NE2 3.42Å; L49-H64 HydrophobicContact CB-CB 4.1Å; L60-H64 WeakPolarHBondContact O-CB 3.4Å; L60-H64 PolarHBondContact O-CD2 2.9Å; L60-H64 PolarHBondContact O-N 3.25Å; T62-H64 PolarHBondContact O-N 3.14Å; H64-F68 WeakPolarHBondContact O-CB 3.3Å; H64-F68 PolarHBondContact O-N 3.3Å
65K95.9Very high95.9Very high60 Ų6035.3 Ų35.326%0.26121%0.208SC..Hα-helixtrans-65.3-46.7168.9-80.5177.5178.41750111.9L49 I61 T62 V63 L69 L78L49-K65 HydrophobicContact CD1-CG 3.98Å; L49-K65 HydrophobicContact CD2-CG 3.87Å; I61-K65 HydrophobicContact CG2-CD 4.1Å; I61-K65 WeakPolarHBondContact O-CB 3.41Å; I61-K65 VanDerWaalsContact O-CG 3.27Å; I61-K65 WeakPolarHBondContact O-CG 3.43Å; I61-K65 PolarHBondContact O-N 3.24Å; T62-K65 PolarHBondContact O-N 3.01Å; V63-K65 PolarHBondContact O-N 3.13Å; K65-L69 WeakPolarHBondContact O-CG 3.24Å; K65-L69 PolarHBondContact O-N 3.42Å; K65-L78 HydrophobicContact CG-CD2 4.17Å
66A95.3Very high95.9Very high41 Ų4139 Ų3934%0.33923%0.226SC..Hα-helixtrans-64.8-46.2179.400000111.2I7 T62 V63 F68 L69 R70I7-A66 HydrophobicContact CD1-CB 3.52Å; T62-A66 PolarHBondContact O-N 3.32Å; T62-A66 VanDerWaalsContact O-N 3.1Å; V63-A66 PolarHBondContact O-N 3.17Å; A66-F68 PolarHBondContact O-N 3.23Å; A66-L69 PolarHBondContact O-N 3.24Å; A66-R70 WeakPolarHBondContact O-CB 3.4Å; A66-R70 PolarHBondContact O-N 2.83Å
67E95.8Very high96Very high2 Ų238.8 Ų38.81%0.00922%0.223CC..Hα-helixtrans-68.9-32.6-179.9-68.1-63109.200112.7I7 Y34 Q45 V63 R70 A71I7-E67 HydrophobicContact CG2-CG 4.43Å; Y34-E67 WeakPolarHBondContact CE1-OE2 3.41Å; Y34-E67 VanDerWaalsContact CZ-OE2 3.22Å; Y34-E67 VanDerWaalsContact OH-CD 3.28Å; Y34-E67 PolarHBondContact OH-OE2 3.04Å; Q45-E67 VanDerWaalsContact CD-CB 3.45Å; Q45-E67 HydrophobicContact CG-CB 4Å; V63-E67 HydrophobicContact CG1-CG 4.31Å; V63-E67 WeakPolarHBondContact O-CB 3.48Å; V63-E67 VanDerWaalsContact O-CG 3.3Å; V63-E67 WeakPolarHBondContact O-CG 3.38Å; V63-E67 PolarHBondContact O-N 3.37Å; E67-R70 VanDerWaalsContact CD-NE 3.28Å; E67-R70 PolarHBondContact O-N 3.45Å; E67-R70 WeakPolarHBondContact OE1-CD 3.48Å; E67-R70 IonicContact OE1-CZ 2.73Å; E67-R70 IonicContact OE1-NE 2.66Å; E67-R70 PolarHBondContact OE1-NE 3.2Å; E67-R70 IonicContact OE1-NH2 3.42Å; E67-R70 IonicContact OE2-CZ 3.69Å; E67-R70 VanDerWaalsContact OE2-CZ 3.27Å; E67-R70 IonicContact OE2-NE 2.7Å; E67-R70 PolarHBondContact OE2-NE 3.08Å; E67-R70 IonicContact OE2-NH2 2.62Å; E67-R70 PolarHBondContact OE2-NH2 2.99Å; E67-A71 VanDerWaalsContact O-CB 3.22Å; E67-A71 WeakPolarHBondContact O-CB 3.14Å; E67-A71 PolarHBondContact O-N 3.46Å
68F97.3Very high96Very high2 Ų240.7 Ų40.71%0.00923%0.233CC..Hα-helixtrans-58.4-48.8171172.7-97.6000111.9A42 Q45 Y46 H64 A66 A71 G73 D74 W77 L78A42-F68 HydrophobicContact CB-CD2 4.2Å; A42-F68 HydrophobicContact CB-CE2 4.19Å; A42-F68 WeakPolarHBondContact O-CD2 3.31Å; Q45-F68 HydrophobicContact CB-CB 3.93Å; Y46-F68 HydrophobicContact CD2-CD2 4.02Å; Y46-F68 AromaticContact CD2-CE2 3.8Å; Y46-F68 HydrophobicContact CD2-CE2 3.8Å; Y46-F68 HydrophobicContact CD2-CZ 4.13Å; Y46-F68 HydrophobicContact CG-CD2 4.46Å; Y46-F68 HydrophobicContact CG-CE2 4.28Å; H64-F68 WeakPolarHBondContact O-CB 3.3Å; H64-F68 PolarHBondContact O-N 3.3Å; A66-F68 PolarHBondContact O-N 3.23Å; F68-A71 PolarHBondContact O-N 2.66Å; F68-G73 VanDerWaalsContact CE1-C 3.48Å; F68-G73 VanDerWaalsContact CZ-CA 3.44Å; F68-G73 WeakPolarHBondContact O-CA 3.49Å; F68-G73 PolarHBondContact O-N 3.04Å; F68-D74 VanDerWaalsContact CE1-O 3.22Å; F68-D74 WeakPolarHBondContact CE1-O 3.41Å; F68-D74 WeakPolarHBondContact CZ-O 3.49Å; F68-W77 HydrophobicContact CE1-CB 4.23Å; F68-W77 HydrophobicContact CE2-CD2 4.47Å; F68-W77 AromaticContact CE2-CE3 3.9Å; F68-W77 HydrophobicContact CE2-CE3 3.9Å; F68-W77 HydrophobicContact CE2-CZ3 4.49Å; F68-W77 HydrophobicContact CZ-CB 3.77Å; F68-W77 HydrophobicContact CZ-CD2 4.11Å; F68-W77 AromaticContact CZ-CE3 3.98Å; F68-W77 HydrophobicContact CZ-CE3 3.98Å; F68-W77 HydrophobicContact CZ-CG 4.06Å; F68-L78 HydrophobicContact CD1-CD1 4.15Å; F68-L78 HydrophobicContact CD1-CD2 3.72Å; F68-L78 HydrophobicContact CD1-CG 3.88Å; F68-L78 HydrophobicContact CE1-CD2 4.05Å; F68-L78 HydrophobicContact CE1-CG 3.98Å; F68-L78 HydrophobicContact CG-CD2 4.38Å
69L97.1Very high96.2Very high82 Ų8242 Ų4243%0.42924%0.238SC..Hα-helixtrans-66.6-42.8178.5-67.2174.4000111.6K65 A66 A71 G72 P75 L78K65-L69 WeakPolarHBondContact O-CG 3.24Å; K65-L69 PolarHBondContact O-N 3.42Å; A66-L69 PolarHBondContact O-N 3.24Å; L69-A71 PolarHBondContact O-N 2.7Å; L69-G72 PolarHBondContact O-N 3.26Å; L69-P75 HydrophobicContact CD2-CB 4.05Å; L69-P75 HydrophobicContact CD2-CG 3.89Å; L69-L78 HydrophobicContact CD1-CD1 3.89Å; L69-L78 HydrophobicContact CD2-CD1 3.78Å; L69-L78 HydrophobicContact CG-CD1 3.77Å
70R94.7Very high96.2Very high84 Ų8441.4 Ų41.432%0.31724%0.235SC..Hα-helixtrans-60.2-32176.7-164.1177.672.881.70.8112M1 E2 Y34 A66 E67 G72M1-R70 PolarHBondContact SD-NH1 3.19Å; M1-R70 PolarHBondContact SD-NH2 3.4Å; M1-R70 VanDerWaalsContact SD-NH2 3.43Å; E2-R70 PolarHBondContact O-NH1 3.47Å; E2-R70 PolarHBondContact O-NH2 3.23Å; Y34-R70 VanDerWaalsContact CE1-NH2 3.32Å; A66-R70 WeakPolarHBondContact O-CB 3.4Å; A66-R70 PolarHBondContact O-N 2.83Å; E67-R70 VanDerWaalsContact CD-NE 3.28Å; E67-R70 PolarHBondContact O-N 3.45Å; E67-R70 WeakPolarHBondContact OE1-CD 3.48Å; E67-R70 IonicContact OE1-CZ 2.73Å; E67-R70 IonicContact OE1-NE 2.66Å; E67-R70 PolarHBondContact OE1-NE 3.2Å; E67-R70 IonicContact OE1-NH2 3.42Å; E67-R70 IonicContact OE2-CZ 3.69Å; E67-R70 VanDerWaalsContact OE2-CZ 3.27Å; E67-R70 IonicContact OE2-NE 2.7Å; E67-R70 PolarHBondContact OE2-NE 3.08Å; E67-R70 IonicContact OE2-NH2 2.62Å; E67-R70 PolarHBondContact OE2-NH2 2.99Å; R70-G72 PolarHBondContact O-N 2.62Å
71A95.6Very high96.2Very high23 Ų2342.3 Ų42.319%0.1924%0.24CC..THydrogen-bonded Turntrans-78.95.9175.300000115.3M1 I41 A42 E67 F68 L69 G73M1-A71 HydrophobicContact CE-CB 3.59Å; M1-A71 HydrophobicContact SD-CB 4.26Å; I41-A71 HydrophobicContact CB-CB 4.28Å; I41-A71 HydrophobicContact CG2-CB 3.62Å; A42-A71 HydrophobicContact CB-CB 4.02Å; E67-A71 VanDerWaalsContact O-CB 3.22Å; E67-A71 WeakPolarHBondContact O-CB 3.14Å; E67-A71 PolarHBondContact O-N 3.46Å; F68-A71 PolarHBondContact O-N 2.66Å; L69-A71 PolarHBondContact O-N 2.7Å; A71-G73 VanDerWaalsContact C-N 3.31Å
72G96.4Very high96.2Very high68 Ų6847.9 Ų47.970%0.70127%0.266SS*.THydrogen-bonded Turntrans7520.6-177.300000113.3L69 R70L69-G72 PolarHBondContact O-N 3.26Å; R70-G72 PolarHBondContact O-N 2.62Å
73G97.2Very high96.4Very high9 Ų949.3 Ų49.39%0.09327%0.266CS..  trans-63.1141.9172.600000111.7F68 A71 P75F68-G73 VanDerWaalsContact CE1-C 3.48Å; F68-G73 VanDerWaalsContact CZ-CA 3.44Å; F68-G73 WeakPolarHBondContact O-CA 3.49Å; F68-G73 PolarHBondContact O-N 3.04Å; A71-G73 VanDerWaalsContact C-N 3.31Å; G73-P75 VanDerWaalsContact O-CD 3.25Å; G73-P75 WeakPolarHBondContact O-CD 3.37Å
74D97.7Very high96.4Very high78 Ų7849.5 Ų49.542%0.41727%0.268SS..  trans-63.5115.1179.4177.91.8000111F68 E76 W77F68-D74 VanDerWaalsContact CE1-O 3.22Å; F68-D74 WeakPolarHBondContact CE1-O 3.41Å; F68-D74 WeakPolarHBondContact CZ-O 3.49Å; D74-E76 PolarHBondContact O-N 3.24Å; D74-E76 WeakPolarHBondContact OD1-CB 3.32Å; D74-E76 PolarHBondContact OD1-N 3.4Å; D74-W77 HydrophobicContact CB-CG 4.35Å; D74-W77 WeakPolarHBondContact O-CB 3.39Å; D74-W77 PolarHBondContact O-N 3.38Å
75P97.3Very high96.2Very high80 Ų8051.3 Ų51.352%0.51928%0.28SS..G310 helixtrans-56.6-23.3-179.8-2434.1000114.2L69 G73 W77 L78L69-P75 HydrophobicContact CD2-CB 4.05Å; L69-P75 HydrophobicContact CD2-CG 3.89Å; G73-P75 VanDerWaalsContact O-CD 3.25Å; G73-P75 WeakPolarHBondContact O-CD 3.37Å; P75-W77 PolarHBondContact O-N 2.95Å; P75-L78 WeakPolarHBondContact O-CB 3.36Å; P75-L78 PolarHBondContact O-N 3.07Å; P75-L78 VanDerWaalsContact O-N 3.07Å
76E97.4Very high96Very high77 Ų7752.5 Ų52.536%0.3629%0.287SS..G310 helixtrans-61.2-31.4175.5-70.9-62.6117.700112.3D74 L78 K79 K83D74-E76 PolarHBondContact O-N 3.24Å; D74-E76 WeakPolarHBondContact OD1-CB 3.32Å; D74-E76 PolarHBondContact OD1-N 3.4Å; E76-L78 PolarHBondContact O-N 3.31Å; E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 2.9Å; E76-K79 WeakPolarHBondContact OE1-CE 3.31Å; E76-K79 IonicContact OE1-NZ 2.61Å; E76-K79 PolarHBondContact OE1-NZ 3.21Å; E76-K79 WeakPolarHBondContact OE2-CE 3.48Å; E76-K79 IonicContact OE2-NZ 2.73Å; E76-K79 PolarHBondContact OE2-NZ 3.3Å; E76-K83 WeakPolarHBondContact O-CB 3.29Å; E76-K83 WeakPolarHBondContact O-CG 3.3Å
77W97.7Very high95.9Very high29 Ų2952.1 Ų52.111%0.1128%0.277CS..G310 helixtrans-62.8-26.8177.1-69.228.1000111.8H43 Y46 F68 D74 P75 K79 G80 K83 A84 I88H43-W77 AromaticContact CE1-CH2 3.79Å; H43-W77 AromaticContact NE2-CH2 3.64Å; Y46-W77 HydrophobicContact CD1-CE3 4.26Å; Y46-W77 HydrophobicContact CD2-CB 4.11Å; Y46-W77 AromaticContact CD2-CE3 3.85Å; Y46-W77 HydrophobicContact CD2-CE3 3.85Å; Y46-W77 HydrophobicContact CE2-CB 3.59Å; Y46-W77 HydrophobicContact CE2-CE3 4.18Å; Y46-W77 WeakPolarHBondContact CE2-O 3.44Å; Y46-W77 AromaticContact CG-CE3 3.88Å; Y46-W77 HydrophobicContact CG-CE3 3.88Å; Y46-W77 HydrophobicContact CG-CZ3 4.36Å; Y46-W77 PolarHBondContact OH-O 3.36Å; F68-W77 HydrophobicContact CE1-CB 4.23Å; F68-W77 HydrophobicContact CE2-CD2 4.47Å; F68-W77 AromaticContact CE2-CE3 3.9Å; F68-W77 HydrophobicContact CE2-CE3 3.9Å; F68-W77 HydrophobicContact CE2-CZ3 4.49Å; F68-W77 HydrophobicContact CZ-CB 3.77Å; F68-W77 HydrophobicContact CZ-CD2 4.11Å; F68-W77 AromaticContact CZ-CE3 3.98Å; F68-W77 HydrophobicContact CZ-CE3 3.98Å; F68-W77 HydrophobicContact CZ-CG 4.06Å; D74-W77 HydrophobicContact CB-CG 4.35Å; D74-W77 WeakPolarHBondContact O-CB 3.39Å; D74-W77 PolarHBondContact O-N 3.38Å; P75-W77 PolarHBondContact O-N 2.95Å; W77-K79 PolarHBondContact O-N 2.75Å; W77-G80 CarbonylContact O-C 3.54Å; W77-G80 PolarHBondContact O-N 2.94Å; W77-G80 VanDerWaalsContact O-N 3.12Å; W77-K83 VanDerWaalsContact CD1-O 3.29Å; W77-K83 PolarHBondContact NE1-O 3.32Å; W77-A84 HydrophobicContact CD2-CB 3.76Å; W77-A84 HydrophobicContact CE3-CB 3.7Å; W77-A84 HydrophobicContact CG-CB 4.15Å; W77-A84 HydrophobicContact CZ3-CB 4.15Å; W77-I88 HydrophobicContact CH2-CG1 4.05Å; W77-I88 HydrophobicContact CZ3-CG1 3.88Å
78L96.5Very high95.9Very high40 Ų4052 Ų5221%0.20928%0.277CS..G310 helixtrans-74.4-5177.6-62-170.2000113.7Y46 L49 K65 F68 L69 P75 E76 G80 F262Y46-L78 HydrophobicContact CD2-CD2 4.47Å; Y46-L78 HydrophobicContact CE2-CD2 4.28Å; L49-L78 HydrophobicContact CD2-CD2 3.89Å; K65-L78 HydrophobicContact CG-CD2 4.17Å; F68-L78 HydrophobicContact CD1-CD1 4.15Å; F68-L78 HydrophobicContact CD1-CD2 3.72Å; F68-L78 HydrophobicContact CD1-CG 3.88Å; F68-L78 HydrophobicContact CE1-CD2 4.05Å; F68-L78 HydrophobicContact CE1-CG 3.98Å; F68-L78 HydrophobicContact CG-CD2 4.38Å; L69-L78 HydrophobicContact CD1-CD1 3.89Å; L69-L78 HydrophobicContact CD2-CD1 3.78Å; L69-L78 HydrophobicContact CG-CD1 3.77Å; P75-L78 WeakPolarHBondContact O-CB 3.36Å; P75-L78 PolarHBondContact O-N 3.07Å; P75-L78 VanDerWaalsContact O-N 3.07Å; E76-L78 PolarHBondContact O-N 3.31Å; L78-G80 VanDerWaalsContact C-N 3.26Å; L78-F262 HydrophobicContact CD2-CE1 4.49Å; L78-F262 VanDerWaalsContact O-CZ 3.29Å; L78-F262 WeakPolarHBondContact O-CZ 3.37Å
79K95.7Very high95.7Very high118 Ų11855.2 Ų55.251%0.51329%0.292SS..G310 helixtrans-80.5-9.2167.9-59.3178.8-176.91700112.7E76 W77 K83E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 2.9Å; E76-K79 WeakPolarHBondContact OE1-CE 3.31Å; E76-K79 IonicContact OE1-NZ 2.61Å; E76-K79 PolarHBondContact OE1-NZ 3.21Å; E76-K79 WeakPolarHBondContact OE2-CE 3.48Å; E76-K79 IonicContact OE2-NZ 2.73Å; E76-K79 PolarHBondContact OE2-NZ 3.3Å; W77-K79 PolarHBondContact O-N 2.75Å; K79-K83 HydrophobicContact CB-CG 4.14Å
80G95.8Very high95.6Very high0 Ų053.9 Ų53.90%028%0.284CS..  trans138.9167.4172.200000113.6Y46 W77 L78 H82 K83 A261Y46-G80 VanDerWaalsContact OH-C 3.3Å; Y46-G80 PolarHBondContact OH-O 2.6Å; W77-G80 CarbonylContact O-C 3.54Å; W77-G80 PolarHBondContact O-N 2.94Å; W77-G80 VanDerWaalsContact O-N 3.12Å; L78-G80 VanDerWaalsContact C-N 3.26Å; G80-H82 PolarHBondContact O-N 3.37Å; G80-H82 VanDerWaalsContact O-N 3.17Å; G80-K83 WeakPolarHBondContact O-CB 3.28Å; G80-K83 PolarHBondContact O-N 3.09Å; G80-A261 CarbonylContact C-O 3.35Å; G80-A261 WeakPolarHBondContact CA-O 3.47Å
81L96.5Very high95.6Very high20 Ų2049.9 Ų49.911%0.10527%0.268CS..G310 helixtrans-53.5-38.2-176.7-173.560.7000112.2Y46 M50 K83 A84 I88 Q89 D92 A261Y46-L81 HydrophobicContact CE1-CD1 4.03Å; Y46-L81 WeakPolarHBondContact OH-CA 3.34Å; Y46-L81 PolarHBondContact OH-N 3.24Å; M50-L81 HydrophobicContact CE-CD1 3.73Å; M50-L81 HydrophobicContact CE-CD2 4.32Å; M50-L81 HydrophobicContact CG-CD1 4.4Å; M50-L81 HydrophobicContact SD-CD1 3.82Å; L81-K83 PolarHBondContact O-N 3.4Å; L81-A84 WeakPolarHBondContact O-CB 3.44Å; L81-A84 PolarHBondContact O-N 3.21Å; L81-I88 HydrophobicContact CD1-CG2 4.14Å; L81-Q89 HydrophobicContact CD1-CG 4.26Å; L81-Q89 HydrophobicContact CG-CB 4.44Å; L81-Q89 HydrophobicContact CG-CG 4.11Å; L81-Q89 WeakPolarHBondContact O-CG 3.46Å; L81-Q89 PolarHBondContact O-NE2 3.39Å; L81-D92 HydrophobicContact CD2-CB 3.81Å; L81-A261 PolarHBondContact N-O 3.03Å
82H95.6Very high95.6Very high122 Ų12249.3 Ų49.357%0.56526%0.262SS*.G310 helixtrans-61.1-15176.672.7-79.4000114.5G80 Q89G80-H82 PolarHBondContact O-N 3.37Å; G80-H82 VanDerWaalsContact O-N 3.17Å; H82-Q89 PolarHBondContact O-NE2 3.46Å
83K96.9Very high95.6Very high99 Ų9951.4 Ų51.443%0.4325%0.254SS..G310 helixtrans-96.6-15.8173.2-62.5-59.9-170.4172.40113.5E76 W77 K79 G80 L81E76-K83 WeakPolarHBondContact O-CB 3.29Å; E76-K83 WeakPolarHBondContact O-CG 3.3Å; W77-K83 VanDerWaalsContact CD1-O 3.29Å; W77-K83 PolarHBondContact NE1-O 3.32Å; K79-K83 HydrophobicContact CB-CG 4.14Å; G80-K83 WeakPolarHBondContact O-CB 3.28Å; G80-K83 PolarHBondContact O-N 3.09Å; L81-K83 PolarHBondContact O-N 3.4Å
84A95.3Very high95.7Very high5 Ų551 Ų514%0.04125%0.25CC..SBendtrans-71.6166.9174.200000111.2Y46 W77 L81 I88 Q89Y46-A84 HydrophobicContact CD1-CB 4.46Å; Y46-A84 HydrophobicContact CE1-CB 3.76Å; W77-A84 HydrophobicContact CD2-CB 3.76Å; W77-A84 HydrophobicContact CE3-CB 3.7Å; W77-A84 HydrophobicContact CG-CB 4.15Å; W77-A84 HydrophobicContact CZ3-CB 4.15Å; L81-A84 WeakPolarHBondContact O-CB 3.44Å; L81-A84 PolarHBondContact O-N 3.21Å; A84-I88 HydrophobicContact CB-CB 4.18Å; A84-I88 HydrophobicContact CB-CG2 3.93Å; A84-Q89 PolarHBondContact O-NE2 3.14Å
85S93.1Very high95.7Very high38 Ų3847.3 Ų47.327%0.26623%0.23SC..  trans-59.2146.9175.368.10000111.4K87 I88 Q89S85-K87 PolarHBondContact O-N 3.23Å; S85-K87 VanDerWaalsContact O-N 3.1Å; S85-I88 PolarHBondContact O-N 3.43Å; S85-I88 WeakPolarHBondContact OG-CG1 3.42Å; S85-I88 PolarHBondContact OG-N 2.97Å; S85-Q89 WeakPolarHBondContact O-CG 2.99Å; S85-Q89 PolarHBondContact O-N 2.98Å
86E91.4Very high95.7Very high85 Ų8546.2 Ų46.240%0.39722%0.215SC..Hα-helixtrans-55.3-33.1178.7-64.2-171143.300112.6I88 Q89 H90 S119 K120E86-I88 PolarHBondContact O-N 3.1Å; E86-Q89 PolarHBondContact O-N 3.39Å; E86-H90 WeakPolarHBondContact O-CB 3.48Å; E86-H90 PolarHBondContact O-CD2 3.2Å; E86-H90 PolarHBondContact O-N 3.42Å; E86-S119 PolarHBondContact OE2-OG 2.91Å; E86-K120 HydrophobicContact CB-CD 4.44Å; E86-K120 HydrophobicContact CB-CG 3.71Å; E86-K120 VanDerWaalsContact CD-CE 3.46Å; E86-K120 WeakPolarHBondContact OE2-CE 3.5Å
87K92.4Very high95.7Very high33 Ų3342.9 Ų42.914%0.14320%0.2CC..Hα-helixtrans-55.6-48.4173.1-176174.2-175.6162.30111.7S85 H90 N121 W122 E126S85-K87 PolarHBondContact O-N 3.23Å; S85-K87 VanDerWaalsContact O-N 3.1Å; K87-H90 PolarHBondContact O-N 3Å; K87-N121 PolarHBondContact NZ-O 3.45Å; K87-W122 HydrophobicContact CD-CD2 4.44Å; K87-W122 HydrophobicContact CG-CD2 3.99Å; K87-W122 VanDerWaalsContact CG-CE2 3.45Å; K87-W122 HydrophobicContact CG-CG 4.22Å; K87-W122 HydrophobicContact CG-CZ2 3.8Å; K87-W122 WeakPolarHBondContact O-CZ2 3.28Å; K87-W122 PolarHBondContact O-NE1 2.95Å; K87-E126 IonicContact NZ-OE1 3.89Å; K87-E126 PolarHBondContact NZ-OE1 3.4Å; K87-E126 IonicContact NZ-OE2 3.69Å; K87-E126 PolarHBondContact NZ-OE2 3.36Å
88I95.5Very high95.7Very high1 Ų141.5 Ų41.51%0.00520%0.195CC..Hα-helixtrans-69.2-40.9178-66.7-70.2000111.3H43 Y46 I47 M50 W77 L81 A84 S85 E86 H90 L91 W122H43-I88 HydrophobicContact CB-CD1 4.3Å; Y46-I88 HydrophobicContact CD1-CG2 3.49Å; Y46-I88 VanDerWaalsContact CD1-CG2 3.49Å; Y46-I88 HydrophobicContact CE1-CG2 3.71Å; I47-I88 HydrophobicContact CD1-CD1 4Å; I47-I88 HydrophobicContact CG1-CD1 3.79Å; M50-I88 HydrophobicContact SD-CG2 3.61Å; W77-I88 HydrophobicContact CH2-CG1 4.05Å; W77-I88 HydrophobicContact CZ3-CG1 3.88Å; L81-I88 HydrophobicContact CD1-CG2 4.14Å; A84-I88 HydrophobicContact CB-CB 4.18Å; A84-I88 HydrophobicContact CB-CG2 3.93Å; S85-I88 PolarHBondContact O-N 3.43Å; S85-I88 WeakPolarHBondContact OG-CG1 3.42Å; S85-I88 PolarHBondContact OG-N 2.97Å; E86-I88 PolarHBondContact O-N 3.1Å; I88-H90 PolarHBondContact O-N 2.86Å; I88-L91 WeakPolarHBondContact O-CB 3.3Å; I88-L91 PolarHBondContact O-N 3.13Å; I88-L91 VanDerWaalsContact O-N 3.07Å; I88-W122 HydrophobicContact CD1-CH2 4.19Å; I88-W122 HydrophobicContact CD1-CZ2 4.27Å
89Q95.1Very high95.8Very high68 Ų6839.6 Ų39.632%0.31819%0.185SC..Hα-helixtrans-55.8-41.1176.6-63.7-176.932.800112.3L81 H82 A84 S85 E86 L91 D92L81-Q89 HydrophobicContact CD1-CG 4.26Å; L81-Q89 HydrophobicContact CG-CB 4.44Å; L81-Q89 HydrophobicContact CG-CG 4.11Å; L81-Q89 WeakPolarHBondContact O-CG 3.46Å; L81-Q89 PolarHBondContact O-NE2 3.39Å; H82-Q89 PolarHBondContact O-NE2 3.46Å; A84-Q89 PolarHBondContact O-NE2 3.14Å; S85-Q89 WeakPolarHBondContact O-CG 2.99Å; S85-Q89 PolarHBondContact O-N 2.98Å; E86-Q89 PolarHBondContact O-N 3.39Å; Q89-L91 PolarHBondContact O-N 3.23Å; Q89-D92 WeakPolarHBondContact O-CB 3.4Å; Q89-D92 PolarHBondContact O-N 3.09Å
90H92.9Very high95.9Very high55 Ų5534.1 Ų34.126%0.25516%0.161SC..Hα-helixtrans-64.1-22.7-179.7-82.5-135.3000113.7E86 K87 I88 D92 L113 K120E86-H90 WeakPolarHBondContact O-CB 3.48Å; E86-H90 PolarHBondContact O-CD2 3.2Å; E86-H90 PolarHBondContact O-N 3.42Å; K87-H90 PolarHBondContact O-N 3Å; I88-H90 PolarHBondContact O-N 2.86Å; H90-D92 PolarHBondContact O-N 3.39Å; H90-L113 HydrophobicContact CB-CD2 4Å; H90-L113 WeakPolarHBondContact O-CD2 3.48Å; H90-K120 WeakPolarHBondContact CE1-CD 3.47Å; H90-K120 PolarHBondContact CE1-NZ 2.96Å; H90-K120 VanDerWaalsContact CE1-NZ 3.31Å; H90-K120 WeakPolarHBondContact NE2-CD 3.29Å; H90-K120 WeakPolarHBondContact NE2-CE 3.32Å; H90-K120 PolarHBondContact NE2-NZ 3.43Å
91L95.8Very high95.9Very high0 Ų036.2 Ų36.20%017%0.169CC..THydrogen-bonded Turntrans-73.8-11.4-179.9-157.472.2000113.2I47 M50 I88 Q89 E93 I94 N95 L113 W122 L127 L134I47-L91 HydrophobicContact CB-CD2 4.44Å; I47-L91 HydrophobicContact CD1-CD2 4.07Å; I47-L91 HydrophobicContact CG1-CD2 3.84Å; I47-L91 HydrophobicContact CG2-CD2 3.78Å; M50-L91 HydrophobicContact CE-CB 4.48Å; I88-L91 WeakPolarHBondContact O-CB 3.3Å; I88-L91 PolarHBondContact O-N 3.13Å; I88-L91 VanDerWaalsContact O-N 3.07Å; Q89-L91 PolarHBondContact O-N 3.23Å; L91-E93 VanDerWaalsContact C-N 3.3Å; L91-E93 PolarHBondContact O-N 3.11Å; L91-I94 HydrophobicContact CD1-CG2 3.58Å; L91-I94 HydrophobicContact CG-CG2 3.89Å; L91-I94 VanDerWaalsContact O-CG2 3.24Å; L91-I94 WeakPolarHBondContact O-CG2 3.41Å; L91-I94 PolarHBondContact O-N 3Å; L91-N95 VanDerWaalsContact O-CB 3.31Å; L91-N95 WeakPolarHBondContact O-CB 3.48Å; L91-N95 PolarHBondContact O-N 3.44Å; L91-L113 HydrophobicContact CD1-CD1 4.47Å; L91-W122 HydrophobicContact CB-CZ2 4.04Å; L91-W122 HydrophobicContact CD1-CH2 4.19Å; L91-W122 HydrophobicContact CD1-CZ2 3.9Å; L91-W122 HydrophobicContact CD2-CH2 3.96Å; L91-W122 HydrophobicContact CD2-CZ2 4.06Å; L91-W122 HydrophobicContact CG-CZ2 4.23Å; L91-L127 HydrophobicContact CD1-CD1 3.83Å; L91-L134 HydrophobicContact CD2-CD1 3.88Å; L91-L134 HydrophobicContact CD2-CG 4.34Å; L91-L134 HydrophobicContact CG-CD1 3.96Å
92D96.4Very high95.9Very high11 Ų1135.2 Ų35.26%0.05916%0.164CC..Hα-helixtrans-66.9-27-173.5-172.154.6000114.4M50 L81 Q89 H90 R96 T263 G264M50-D92 HydrophobicContact CE-CB 3.95Å; L81-D92 HydrophobicContact CD2-CB 3.81Å; Q89-D92 WeakPolarHBondContact O-CB 3.4Å; Q89-D92 PolarHBondContact O-N 3.09Å; H90-D92 PolarHBondContact O-N 3.39Å; D92-R96 PolarHBondContact O-N 2.91Å; D92-R96 PolarHBondContact O-NE 3.34Å; D92-R96 IonicContact OD2-CZ 3.27Å; D92-R96 IonicContact OD2-NE 3.21Å; D92-R96 IonicContact OD2-NH2 2.7Å; D92-R96 PolarHBondContact OD2-NH2 3.23Å; D92-T263 VanDerWaalsContact OD1-CA 3.25Å; D92-T263 WeakPolarHBondContact OD1-CA 3.4Å; D92-T263 VanDerWaalsContact OD1-CB 3.23Å; D92-T263 WeakPolarHBondContact OD1-CB 3.29Å; D92-T263 PolarHBondContact OD1-OG1 2.7Å; D92-G264 PolarHBondContact OD1-N 2.83Å; D92-G264 WeakPolarHBondContact OD2-CA 3.05Å; D92-G264 PolarHBondContact OD2-N 2.8Å
93E96.4Very high95.9Very high111 Ų11129.8 Ų29.852%0.51914%0.138SC..Hα-helixtrans-70.6-49.2174.8-177.6171.4-16800111.6L91 N95 R96 V97L91-E93 VanDerWaalsContact C-N 3.3Å; L91-E93 PolarHBondContact O-N 3.11Å; E93-N95 VanDerWaalsContact C-N 3.29Å; E93-N95 PolarHBondContact O-N 3.19Å; E93-R96 WeakPolarHBondContact O-CG 3.46Å; E93-R96 PolarHBondContact O-N 3.04Å; E93-V97 WeakPolarHBondContact O-CG2 3.27Å; E93-V97 PolarHBondContact O-N 2.7Å
94I97.6Very high95.9Very high2 Ų227.5 Ų27.51%0.0113%0.13CC..Hα-helixtrans-68.5-32.8177.7-168.462.6000111.3L91 V97 L98 T105 H109 L113 L134 F421L91-I94 HydrophobicContact CD1-CG2 3.58Å; L91-I94 HydrophobicContact CG-CG2 3.89Å; L91-I94 VanDerWaalsContact O-CG2 3.24Å; L91-I94 WeakPolarHBondContact O-CG2 3.41Å; L91-I94 PolarHBondContact O-N 3Å; I94-V97 PolarHBondContact O-N 3.45Å; I94-L98 HydrophobicContact CD1-CD1 4.49Å; I94-L98 HydrophobicContact CD1-CG 4.2Å; I94-L98 HydrophobicContact CG1-CD1 3.93Å; I94-L98 HydrophobicContact CG1-CG 4.1Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 WeakPolarHBondContact O-CG 3.46Å; I94-L98 PolarHBondContact O-N 2.7Å; I94-T105 HydrophobicContact CD1-CG2 3.78Å; I94-H109 HydrophobicContact CD1-CB 4.15Å; I94-L113 HydrophobicContact CB-CD1 4.09Å; I94-L113 HydrophobicContact CG2-CD1 3.76Å; I94-L134 HydrophobicContact CG2-CD1 4.28Å; I94-F421 HydrophobicContact CD1-CD2 4.45Å; I94-F421 HydrophobicContact CG1-CD2 4.49Å; I94-F421 HydrophobicContact CG1-CE2 4.25Å
95N98.4Very high95.9Very high0 Ų027.3 Ų27.30%013%0.129CC..Hα-helixtrans-53.3-55.6172.7176.921.7000111.9M50 R54 L91 E93 V97 L98 A99 L134 H138M50-N95 PolarHBondContact O-ND2 3.44Å; R54-N95 WeakPolarHBondContact CG-OD1 3.41Å; L91-N95 VanDerWaalsContact O-CB 3.31Å; L91-N95 WeakPolarHBondContact O-CB 3.48Å; L91-N95 PolarHBondContact O-N 3.44Å; E93-N95 VanDerWaalsContact C-N 3.29Å; E93-N95 PolarHBondContact O-N 3.19Å; N95-V97 VanDerWaalsContact C-N 3.33Å; N95-V97 PolarHBondContact O-N 2.69Å; N95-L98 PolarHBondContact O-N 3.28Å; N95-A99 WeakPolarHBondContact O-CB 3.13Å; N95-A99 PolarHBondContact O-N 3.21Å; N95-L134 HydrophobicContact CB-CD1 4.03Å; N95-L134 HydrophobicContact CB-CD2 3.89Å; N95-H138 PolarHBondContact O-CE1 3.04Å; N95-H138 PolarHBondContact OD1-CE1 3.12Å; N95-H138 VanDerWaalsContact OD1-CE1 3.24Å; N95-H138 PolarHBondContact OD1-NE2 2.83Å; N95-H138 VanDerWaalsContact OD1-NE2 3.07Å
96R97.5Very high96Very high57 Ų5730.3 Ų30.322%0.21514%0.139CC..Hα-helixtrans-65.9-34.5-17968-17777.1165.20.4112.8D92 E93 H100 Y268D92-R96 PolarHBondContact O-N 2.91Å; D92-R96 PolarHBondContact O-NE 3.34Å; D92-R96 IonicContact OD2-CZ 3.27Å; D92-R96 IonicContact OD2-NE 3.21Å; D92-R96 IonicContact OD2-NH2 2.7Å; D92-R96 PolarHBondContact OD2-NH2 3.23Å; E93-R96 WeakPolarHBondContact O-CG 3.46Å; E93-R96 PolarHBondContact O-N 3.04Å; R96-H100 WeakPolarHBondContact O-CB 3.32Å; R96-H100 PolarHBondContact O-CD2 3.42Å; R96-H100 PolarHBondContact O-N 3.43Å; R96-Y268 HydrophobicContact CB-CD1 4.01Å; R96-Y268 HydrophobicContact CB-CE1 4.5Å; R96-Y268 HydrophobicContact CB-CG 4.48Å; R96-Y268 HydrophobicContact CG-CD1 4.16Å; R96-Y268 HydrophobicContact CG-CE1 4.4Å; R96-Y268 HydrophobicContact CG-CG 4.4Å; R96-Y268 WeakPolarHBondContact O-CE1 3.49Å
97V97.7Very high96.2Very high7 Ų727.5 Ų27.54%0.04213%0.13CC..Hα-helixtrans-64.3-51.9176.7172.10000109.7E93 I94 N95 A99 H100 R101 P102 L104E93-V97 WeakPolarHBondContact O-CG2 3.27Å; E93-V97 PolarHBondContact O-N 2.7Å; I94-V97 PolarHBondContact O-N 3.45Å; N95-V97 VanDerWaalsContact C-N 3.33Å; N95-V97 PolarHBondContact O-N 2.69Å; V97-A99 VanDerWaalsContact C-N 3.3Å; V97-A99 PolarHBondContact O-N 3.47Å; V97-H100 PolarHBondContact O-N 2.89Å; V97-R101 CarbonylContact O-C 3.57Å; V97-R101 WeakPolarHBondContact O-CA 3.4Å; V97-R101 PolarHBondContact O-N 3.49Å; V97-P102 VanDerWaalsContact O-N 3.12Å; V97-L104 HydrophobicContact CG1-CB 4.18Å
98L98.4Very high96.3Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-63.4-33.3179.3-68.2175.7000113.3I94 N95 A131 L134 S417 F421I94-L98 HydrophobicContact CD1-CD1 4.49Å; I94-L98 HydrophobicContact CD1-CG 4.2Å; I94-L98 HydrophobicContact CG1-CD1 3.93Å; I94-L98 HydrophobicContact CG1-CG 4.1Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 WeakPolarHBondContact O-CG 3.46Å; I94-L98 PolarHBondContact O-N 2.7Å; N95-L98 PolarHBondContact O-N 3.28Å; L98-A131 HydrophobicContact CD1-CB 4.02Å; L98-L134 HydrophobicContact CD1-CB 4.42Å; L98-L134 HydrophobicContact CD1-CD1 4.29Å; L98-S417 PolarHBondContact O-OG 2.81Å; L98-F421 HydrophobicContact CD1-CD2 4.22Å; L98-F421 HydrophobicContact CD2-CB 4.03Å; L98-F421 HydrophobicContact CD2-CD2 4.18Å; L98-F421 HydrophobicContact CD2-CG 4.49Å
99A98.2Very high96.3Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-66.6-40.6177.800000113R54 N95 V97 H138 R413R54-A99 HydrophobicContact CB-CB 3.93Å; R54-A99 HydrophobicContact CG-CB 3.95Å; N95-A99 WeakPolarHBondContact O-CB 3.13Å; N95-A99 PolarHBondContact O-N 3.21Å; V97-A99 VanDerWaalsContact C-N 3.3Å; V97-A99 PolarHBondContact O-N 3.47Å; A99-H138 WeakPolarHBondContact CA-ND1 3.44Å; A99-H138 VanDerWaalsContact CB-CE1 3.45Å; A99-H138 WeakPolarHBondContact CB-CE1 3.33Å; A99-H138 WeakPolarHBondContact CB-NE2 3.39Å; A99-R413 PolarHBondContact O-NH1 2.93Å; A99-R413 PolarHBondContact O-NH2 3.07Å
100H97.3Very high96.3Very high2 Ų226.9 Ų26.91%0.00914%0.138CC..Hα-helixtrans-122-35.6-160.9-69-64000113.9R54 H55 R96 V97 Y268 Y270R54-H100 PolarHBondContact NE-NE2 2.95Å; R54-H100 PolarHBondContact NH2-CD2 3.24Å; R54-H100 PolarHBondContact NH2-NE2 3.44Å; H55-H100 AromaticContact CE1-CE1 3.58Å; R96-H100 WeakPolarHBondContact O-CB 3.32Å; R96-H100 PolarHBondContact O-CD2 3.42Å; R96-H100 PolarHBondContact O-N 3.43Å; V97-H100 PolarHBondContact O-N 2.89Å; H100-Y268 HydrophobicContact CB-CD1 3.96Å; H100-Y268 HydrophobicContact CB-CE1 3.93Å; H100-Y268 PolarHBondContact CD2-O 3.32Å; H100-Y268 PolarHBondContact NE2-O 3.48Å; H100-Y270 PolarHBondContact ND1-N 2.68Å; H100-Y270 WeakPolarHBondContact O-CA 3.43Å; H100-Y270 WeakPolarHBondContact O-CD2 3.45Å
101R96.2Very high96.3Very high44 Ų4431.2 Ų31.217%0.16616%0.155CC..  trans-144.959.3-173.3-53.7-176.8-161.4-168.7-8.8110.5V97 W103 L104 Y268 R269 E271V97-R101 CarbonylContact O-C 3.57Å; V97-R101 WeakPolarHBondContact O-CA 3.4Å; V97-R101 PolarHBondContact O-N 3.49Å; R101-W103 HydrophobicContact CB-CD2 4.35Å; R101-W103 HydrophobicContact CB-CH2 4.22Å; R101-W103 HydrophobicContact CB-CZ2 3.75Å; R101-W103 HydrophobicContact CG-CH2 4.21Å; R101-W103 HydrophobicContact CG-CZ2 3.79Å; R101-W103 PolarHBondContact O-N 3.03Å; R101-L104 HydrophobicContact CB-CD1 3.82Å; R101-L104 HydrophobicContact CB-CG 4.1Å; R101-L104 HydrophobicContact CG-CD1 4.45Å; R101-L104 WeakPolarHBondContact O-CB 3.48Å; R101-L104 PolarHBondContact O-N 3.32Å; R101-Y268 HydrophobicContact CB-CE1 4.35Å; R101-Y268 WeakPolarHBondContact CD-OH 3.37Å; R101-Y268 HydrophobicContact CG-CE1 4.02Å; R101-R269 PolarHBondContact NE-O 2.88Å; R101-R269 PolarHBondContact NH2-O 2.53Å; R101-E271 IonicContact CZ-OE2 2.68Å; R101-E271 IonicContact NH1-OE2 3.6Å; R101-E271 PolarHBondContact NH1-OE2 2.92Å; R101-E271 IonicContact NH2-OE2 3.94Å; R101-E271 PolarHBondContact NH2-OE2 3.11Å
102P96.9Very high96.2Very high0 Ų035.9 Ų35.90%018%0.177CC..G310 helixtrans-58.5-24.9-172.524-35.2000112.9V97 L104 T105 F351 Y420V97-P102 VanDerWaalsContact O-N 3.12Å; P102-L104 PolarHBondContact O-N 2.78Å; P102-L104 VanDerWaalsContact O-N 3.15Å; P102-T105 VanDerWaalsContact O-CB 3.22Å; P102-T105 WeakPolarHBondContact O-CB 3.47Å; P102-T105 PolarHBondContact O-N 3.34Å; P102-T105 PolarHBondContact O-OG1 2.91Å; P102-F351 HydrophobicContact CG-CD1 3.57Å; P102-F351 HydrophobicContact CG-CE1 4.19Å; P102-F351 HydrophobicContact CG-CG 4.34Å; P102-Y420 HydrophobicContact CB-CD2 3.88Å; P102-Y420 HydrophobicContact CB-CG 4.39Å; P102-Y420 HydrophobicContact CG-CD2 4.1Å; P102-Y420 WeakPolarHBondContact O-CB 3.35Å
103W95.6Very high96.1Very high8 Ų836 Ų363%0.0318%0.178CC..G310 helixtrans-61.8-17.1174.159.983.9000115.3R101 T105 Y270 E271 F273 F351 Y420R101-W103 HydrophobicContact CB-CD2 4.35Å; R101-W103 HydrophobicContact CB-CH2 4.22Å; R101-W103 HydrophobicContact CB-CZ2 3.75Å; R101-W103 HydrophobicContact CG-CH2 4.21Å; R101-W103 HydrophobicContact CG-CZ2 3.79Å; R101-W103 PolarHBondContact O-N 3.03Å; W103-T105 VanDerWaalsContact C-N 3.27Å; W103-Y270 AromaticContact CH2-CD2 3.78Å; W103-Y270 HydrophobicContact CH2-CD2 3.78Å; W103-Y270 AromaticContact CH2-CE2 3.52Å; W103-Y270 HydrophobicContact CH2-CE2 3.52Å; W103-Y270 HydrophobicContact CZ3-CD2 4.18Å; W103-Y270 AromaticContact CZ3-CE2 3.77Å; W103-Y270 HydrophobicContact CZ3-CE2 3.77Å; W103-E271 VanDerWaalsContact CH2-O 3.3Å; W103-E271 WeakPolarHBondContact CH2-O 3.44Å; W103-E271 WeakPolarHBondContact CZ2-O 3.06Å; W103-F273 HydrophobicContact CB-CD2 4.38Å; W103-F273 HydrophobicContact CB-CE2 3.91Å; W103-F273 AromaticContact CD2-CD2 3.54Å; W103-F273 HydrophobicContact CD2-CD2 3.54Å; W103-F273 AromaticContact CD2-CE2 3.98Å; W103-F273 HydrophobicContact CD2-CE2 3.98Å; W103-F273 AromaticContact CE2-CD2 3.8Å; W103-F273 AromaticContact CE3-CD2 3.8Å; W103-F273 HydrophobicContact CE3-CD2 3.8Å; W103-F273 HydrophobicContact CE3-CE2 4.45Å; W103-F273 AromaticContact CG-CD2 3.79Å; W103-F273 HydrophobicContact CG-CD2 3.79Å; W103-F273 AromaticContact CG-CE2 3.71Å; W103-F273 HydrophobicContact CG-CE2 3.71Å; W103-F273 HydrophobicContact CH2-CB 4.4Å; W103-F273 HydrophobicContact CZ2-CD2 4.3Å; W103-F273 HydrophobicContact CZ3-CD2 4.28Å; W103-F351 HydrophobicContact CE3-CB 4.42Å; W103-F351 HydrophobicContact CE3-CD1 4.23Å; W103-F351 HydrophobicContact CZ3-CB 4.49Å; W103-F351 AromaticContact CZ3-CD1 3.77Å; W103-F351 HydrophobicContact CZ3-CD1 3.77Å; W103-Y420 HydrophobicContact CB-CD1 4.2Å; W103-Y420 HydrophobicContact CB-CD2 4.4Å; W103-Y420 HydrophobicContact CB-CE1 3.69Å; W103-Y420 HydrophobicContact CB-CE2 3.91Å
104L95.5Very high95.9Very high50 Ų5031.7 Ų31.726%0.26216%0.16SC..G310 helixtrans-85.93.8172.7-59.9179.2000112.8V97 R101 P102 E106 H109 Y268 S282V97-L104 HydrophobicContact CG1-CB 4.18Å; R101-L104 HydrophobicContact CB-CD1 3.82Å; R101-L104 HydrophobicContact CB-CG 4.1Å; R101-L104 HydrophobicContact CG-CD1 4.45Å; R101-L104 WeakPolarHBondContact O-CB 3.48Å; R101-L104 PolarHBondContact O-N 3.32Å; P102-L104 PolarHBondContact O-N 2.78Å; P102-L104 VanDerWaalsContact O-N 3.15Å; L104-E106 PolarHBondContact O-N 3.03Å; L104-H109 PolarHBondContact O-CE1 3.22Å; L104-Y268 WeakPolarHBondContact CD1-OH 3.46Å; L104-S282 VanDerWaalsContact CD2-OG 3.3Å; L104-S282 WeakPolarHBondContact CD2-OG 3.35Å
105T96.1Very high95.3Very high2 Ų239.4 Ų39.41%0.01219%0.189CC..  trans-70.5114.3175.5-50.50000109.8I94 P102 W103 F421 A424I94-T105 HydrophobicContact CD1-CG2 3.78Å; P102-T105 VanDerWaalsContact O-CB 3.22Å; P102-T105 WeakPolarHBondContact O-CB 3.47Å; P102-T105 PolarHBondContact O-N 3.34Å; P102-T105 PolarHBondContact O-OG1 2.91Å; W103-T105 VanDerWaalsContact C-N 3.27Å; T105-F421 HydrophobicContact CG2-CD2 4.02Å; T105-A424 HydrophobicContact CG2-CB 3.73Å
106E94.6Very high94Very high101 Ų10145.8 Ų45.847%0.47223%0.227SC..  trans-119.2156.5-178.4-65.6177.7167.400112.4L104 A108 H109L104-E106 PolarHBondContact O-N 3.03Å; E106-A108 HydrophobicContact CB-CB 4.5Å; E106-A108 PolarHBondContact O-N 3.07Å; E106-A108 VanDerWaalsContact O-N 3.09Å; E106-H109 PolarHBondContact N-ND1 3.17Å; E106-H109 VanDerWaalsContact N-ND1 3.11Å; E106-H109 WeakPolarHBondContact O-CB 3.49Å; E106-H109 PolarHBondContact O-N 3.43Å; E106-H109 PolarHBondContact O-ND1 3.36Å
107A95.5Very high92.5Very high25 Ų2545.8 Ų45.821%0.20725%0.246CC..Hα-helixtrans-55.9-25.1173.800000113.5H109 I110 K111 Q427 F428A107-H109 VanDerWaalsContact C-N 3.32Å; A107-H109 PolarHBondContact O-N 2.83Å; A107-I110 PolarHBondContact O-N 3.12Å; A107-K111 WeakPolarHBondContact O-CB 3.31Å; A107-K111 PolarHBondContact O-N 3.37Å; A107-Q427 HydrophobicContact CB-CB 4.07Å; A107-F428 HydrophobicContact CB-CB 4.05Å
108A94.6Very high90.7Very high59 Ų5950.8 Ų50.849%0.48827%0.272SS..Hα-helixtrans-60.6-38.2174.200000112.7E106 K111 E112E106-A108 HydrophobicContact CB-CB 4.5Å; E106-A108 PolarHBondContact O-N 3.07Å; E106-A108 VanDerWaalsContact O-N 3.09Å; A108-K111 PolarHBondContact O-N 3.48Å; A108-E112 PolarHBondContact O-N 2.94Å
109H95Very high89Confident31 Ų3155.4 Ų55.414%0.14430%0.304CS..Hα-helixtrans-63.8-43.5175.3-58.495.3000110.9I94 L104 E106 A107 E112 L113I94-H109 HydrophobicContact CD1-CB 4.15Å; L104-H109 PolarHBondContact O-CE1 3.22Å; E106-H109 PolarHBondContact N-ND1 3.17Å; E106-H109 VanDerWaalsContact N-ND1 3.11Å; E106-H109 WeakPolarHBondContact O-CB 3.49Å; E106-H109 PolarHBondContact O-N 3.43Å; E106-H109 PolarHBondContact O-ND1 3.36Å; A107-H109 VanDerWaalsContact C-N 3.32Å; A107-H109 PolarHBondContact O-N 2.83Å; H109-E112 PolarHBondContact O-N 2.7Å; H109-L113 WeakPolarHBondContact O-CG 3.43Å; H109-L113 PolarHBondContact O-N 2.94Å; H109-L113 VanDerWaalsContact O-N 3.13Å
110I95.6Very high87.8Confident0 Ų058 Ų580%032%0.316CS..Hα-helixtrans-63.2-45178.2-49.4-55.6000110.2A107 E112 L113 C114 L124 L127 F421 A424 V425 F428A107-I110 PolarHBondContact O-N 3.12Å; I110-E112 PolarHBondContact O-N 3.48Å; I110-L113 PolarHBondContact O-N 3.13Å; I110-C114 VanDerWaalsContact O-CB 3.31Å; I110-C114 WeakPolarHBondContact O-CB 3.45Å; I110-C114 PolarHBondContact O-N 3.03Å; I110-C114 PolarHBondContact O-SG 2.95Å; I110-L124 HydrophobicContact CG2-CD1 3.89Å; I110-L127 HydrophobicContact CB-CD2 4.49Å; I110-L127 HydrophobicContact CD1-CD2 4.02Å; I110-L127 HydrophobicContact CG2-CD2 3.93Å; I110-F421 HydrophobicContact CD1-CD2 4.33Å; I110-F421 HydrophobicContact CD1-CE2 3.52Å; I110-F421 HydrophobicContact CD1-CZ 3.81Å; I110-A424 HydrophobicContact CG1-CB 4.38Å; I110-V425 HydrophobicContact CD1-CG2 4.06Å; I110-V425 HydrophobicContact CG1-CG2 4.39Å; I110-F428 HydrophobicContact CB-CB 4.1Å; I110-F428 HydrophobicContact CB-CD1 4.44Å; I110-F428 HydrophobicContact CB-CD2 4.21Å; I110-F428 HydrophobicContact CB-CG 3.99Å; I110-F428 HydrophobicContact CG2-CB 4Å; I110-F428 HydrophobicContact CG2-CD1 3.52Å; I110-F428 HydrophobicContact CG2-CD2 4.04Å; I110-F428 HydrophobicContact CG2-CE1 3.96Å; I110-F428 HydrophobicContact CG2-CE2 4.44Å; I110-F428 HydrophobicContact CG2-CG 3.56Å; I110-F428 HydrophobicContact CG2-CZ 4.4Å
111K94Very high87Confident145 Ų14560.8 Ų60.863%0.6333%0.33SS*.Hα-helixtrans-61-41.7178.7-175.4176-179.2175.60112.7A107 A108 R115 F428A107-K111 WeakPolarHBondContact O-CB 3.31Å; A107-K111 PolarHBondContact O-N 3.37Å; A108-K111 PolarHBondContact O-N 3.48Å; K111-R115 WeakPolarHBondContact O-CB 3.35Å; K111-R115 PolarHBondContact O-N 2.99Å; K111-R115 VanDerWaalsContact O-N 3.12Å; K111-F428 HydrophobicContact CB-CD2 4.13Å; K111-F428 HydrophobicContact CB-CE2 3.97Å; K111-F428 HydrophobicContact CG-CE2 4.39Å
112E92.7Very high86.9Confident98 Ų9858.9 Ų58.946%0.45832%0.323SS..Hα-helixtrans-69.4-40.6179.6-176.156.2-156.500111.8A108 H109 I110 R115A108-E112 PolarHBondContact O-N 2.94Å; H109-E112 PolarHBondContact O-N 2.7Å; I110-E112 PolarHBondContact O-N 3.48Å; E112-R115 WeakPolarHBondContact O-CB 3.38Å; E112-R115 PolarHBondContact O-N 3.5Å; E112-R115 IonicContact OE2-NH1 3.7Å
113L93.6Very high86.7Confident13 Ų1361.4 Ų61.47%0.06834%0.341CS..Hα-helixtrans-70.2-34.6178.5-69.8167.7000113H90 L91 I94 H109 I110 W122 L127H90-L113 HydrophobicContact CB-CD2 4Å; H90-L113 WeakPolarHBondContact O-CD2 3.48Å; L91-L113 HydrophobicContact CD1-CD1 4.47Å; I94-L113 HydrophobicContact CB-CD1 4.09Å; I94-L113 HydrophobicContact CG2-CD1 3.76Å; H109-L113 WeakPolarHBondContact O-CG 3.43Å; H109-L113 PolarHBondContact O-N 2.94Å; H109-L113 VanDerWaalsContact O-N 3.13Å; I110-L113 PolarHBondContact O-N 3.13Å; L113-W122 WeakPolarHBondContact O-CB 3.42Å; L113-W122 PolarHBondContact O-N 2.93Å; L113-W122 VanDerWaalsContact O-N 3.15Å; L113-L127 HydrophobicContact CB-CD1 4.27Å; L113-L127 HydrophobicContact CB-CD2 3.93Å; L113-L127 HydrophobicContact CD1-CD1 3.55Å; L113-L127 HydrophobicContact CD1-CD2 4.19Å; L113-L127 HydrophobicContact CG-CD1 4.46Å
114C92.2Very high86.7Confident22 Ų2262.5 Ų62.515%0.14935%0.347CS..THydrogen-bonded Turntrans-90.76178.5-65.40000113.7I110 V116 W122 F428I110-C114 VanDerWaalsContact O-CB 3.31Å; I110-C114 WeakPolarHBondContact O-CB 3.45Å; I110-C114 PolarHBondContact O-N 3.03Å; I110-C114 PolarHBondContact O-SG 2.95Å; C114-V116 PolarHBondContact O-N 2.9Å; C114-V116 VanDerWaalsContact O-N 3.14Å; C114-W122 WeakPolarHBondContact CA-O 3.42Å; C114-F428 HydrophobicContact CB-CZ 4.34Å
115R85Confident86.6Confident164 Ų16462.2 Ų62.262%0.61935%0.346SS*.  trans-63.6115.3-174.8-174.4175.9-179.2170.3-0.3111.1K111 E112 G117 N121K111-R115 WeakPolarHBondContact O-CB 3.35Å; K111-R115 PolarHBondContact O-N 2.99Å; K111-R115 VanDerWaalsContact O-N 3.12Å; E112-R115 WeakPolarHBondContact O-CB 3.38Å; E112-R115 PolarHBondContact O-N 3.5Å; E112-R115 IonicContact OE2-NH1 3.7Å; R115-G117 PolarHBondContact O-N 3.21Å; R115-N121 PolarHBondContact O-OD1 3.44Å
116V71.8Confident86.6Confident133 Ų13363.9 Ų63.981%0.80635%0.353SS*.THydrogen-bonded Turntrans-66.1130.1178.1-175.40000110.7C114C114-V116 PolarHBondContact O-N 2.9Å; C114-V116 VanDerWaalsContact O-N 3.14Å
117G65.8Low86.7Confident58 Ų5859 Ų5960%0.59833%0.331SS*.THydrogen-bonded Turntrans136.8-3.116400000117R115 N121R115-G117 PolarHBondContact O-N 3.21Å; G117-N121 PolarHBondContact N-ND2 3.34Å; G117-N121 PolarHBondContact N-OD1 3.1Å
118N60.3Low86.7Confident112 Ų11257.9 Ų57.960%0.59932%0.321SS*.SBendtrans-130.3169.6176.1-71.7-28.5000111.4K120 N121N118-K120 HydrophobicContact CB-CB 4.47Å; N118-K120 HydrophobicContact CB-CD 4.07Å; N118-K120 PolarHBondContact O-N 3.43Å; N118-N121 PolarHBondContact N-OD1 2.79Å; N118-N121 PolarHBondContact O-N 3.36Å; N118-N121 PolarHBondContact O-ND2 3.41Å; N118-N121 PolarHBondContact O-OD1 3.1Å
119S63.6Low86.8Confident96 Ų9655.3 Ų55.367%0.67130%0.3SS*.THydrogen-bonded Turntrans-55.1-5.3171.132.30000115.2E86E86-S119 PolarHBondContact OE2-OG 2.91Å
120K71.3Confident86.9Confident55 Ų5553.9 Ų53.924%0.23929%0.293CS..THydrogen-bonded Turntrans-94.6-4.5-171.4-68.5144171.3-1440113.9E86 H90 N118 W122E86-K120 HydrophobicContact CB-CD 4.44Å; E86-K120 HydrophobicContact CB-CG 3.71Å; E86-K120 VanDerWaalsContact CD-CE 3.46Å; E86-K120 WeakPolarHBondContact OE2-CE 3.5Å; H90-K120 WeakPolarHBondContact CE1-CD 3.47Å; H90-K120 PolarHBondContact CE1-NZ 2.96Å; H90-K120 VanDerWaalsContact CE1-NZ 3.31Å; H90-K120 WeakPolarHBondContact NE2-CD 3.29Å; H90-K120 WeakPolarHBondContact NE2-CE 3.32Å; H90-K120 PolarHBondContact NE2-NZ 3.43Å; N118-K120 HydrophobicContact CB-CB 4.47Å; N118-K120 HydrophobicContact CB-CD 4.07Å; N118-K120 PolarHBondContact O-N 3.43Å; K120-W122 PolarHBondContact O-N 2.97Å
121N82.1Confident87Confident60 Ų6053.9 Ų53.932%0.32129%0.293SS..  trans-63.1110.6-167.4-55.3-14.3000111.3K87 R115 G117 N118K87-N121 PolarHBondContact NZ-O 3.45Å; R115-N121 PolarHBondContact O-OD1 3.44Å; G117-N121 PolarHBondContact N-ND2 3.34Å; G117-N121 PolarHBondContact N-OD1 3.1Å; N118-N121 PolarHBondContact N-OD1 2.79Å; N118-N121 PolarHBondContact O-N 3.36Å; N118-N121 PolarHBondContact O-ND2 3.41Å; N118-N121 PolarHBondContact O-OD1 3.1Å
122W93.5Very high87.2Confident5 Ų547 Ų472%0.01926%0.263CS..  trans-78.1128.5161.6-70.181.9000108.7L39 I47 K87 I88 L91 L113 C114 K120 E126 L127L39-W122 HydrophobicContact CD1-CZ3 4.02Å; L39-W122 HydrophobicContact CD2-CH2 4.3Å; L39-W122 HydrophobicContact CD2-CZ3 3.76Å; L39-W122 HydrophobicContact CG-CZ3 4.44Å; I47-W122 HydrophobicContact CD1-CH2 3.88Å; K87-W122 HydrophobicContact CD-CD2 4.44Å; K87-W122 HydrophobicContact CG-CD2 3.99Å; K87-W122 VanDerWaalsContact CG-CE2 3.45Å; K87-W122 HydrophobicContact CG-CG 4.22Å; K87-W122 HydrophobicContact CG-CZ2 3.8Å; K87-W122 WeakPolarHBondContact O-CZ2 3.28Å; K87-W122 PolarHBondContact O-NE1 2.95Å; I88-W122 HydrophobicContact CD1-CH2 4.19Å; I88-W122 HydrophobicContact CD1-CZ2 4.27Å; L91-W122 HydrophobicContact CB-CZ2 4.04Å; L91-W122 HydrophobicContact CD1-CH2 4.19Å; L91-W122 HydrophobicContact CD1-CZ2 3.9Å; L91-W122 HydrophobicContact CD2-CH2 3.96Å; L91-W122 HydrophobicContact CD2-CZ2 4.06Å; L91-W122 HydrophobicContact CG-CZ2 4.23Å; L113-W122 WeakPolarHBondContact O-CB 3.42Å; L113-W122 PolarHBondContact O-N 2.93Å; L113-W122 VanDerWaalsContact O-N 3.15Å; C114-W122 WeakPolarHBondContact CA-O 3.42Å; K120-W122 PolarHBondContact O-N 2.97Å; W122-E126 HydrophobicContact CE3-CB 3.65Å; W122-E126 HydrophobicContact CZ3-CB 4.07Å; W122-E126 WeakPolarHBondContact CZ3-O 3.17Å; W122-L127 HydrophobicContact CB-CB 4.1Å; W122-L127 HydrophobicContact CE3-CB 4.36Å
123S93.2Very high87.5Confident52 Ų5242.3 Ų42.336%0.36424%0.241SC..  trans-67154.6157.565.10000108.9N125 E126 L127S123-N125 PolarHBondContact O-N 2.81Å; S123-E126 WeakPolarHBondContact CB-OE2 3.47Å; S123-E126 PolarHBondContact N-OE2 3.24Å; S123-E126 PolarHBondContact O-N 2.84Å; S123-E126 WeakPolarHBondContact OG-CB 3.23Å; S123-E126 VanDerWaalsContact OG-CD 3.24Å; S123-E126 WeakPolarHBondContact OG-CG 3.42Å; S123-E126 PolarHBondContact OG-N 3.24Å; S123-E126 PolarHBondContact OG-OE2 2.83Å; S123-L127 PolarHBondContact O-N 3.43Å
124L94Very high87.7Confident31 Ų3141.7 Ų41.716%0.16224%0.238CC..Hα-helixtrans-59.5-38.7179-171.360.8000111.1I110 L127 V128 L303 V425 F428 M429I110-L124 HydrophobicContact CG2-CD1 3.89Å; L124-L127 PolarHBondContact O-N 3.07Å; L124-V128 HydrophobicContact CD1-CG2 4.33Å; L124-V128 HydrophobicContact CG-CG2 4.4Å; L124-V128 VanDerWaalsContact O-CG2 3.23Å; L124-V128 WeakPolarHBondContact O-CG2 3.21Å; L124-V128 PolarHBondContact O-N 3.33Å; L124-L303 HydrophobicContact CD2-CD1 3.93Å; L124-L303 HydrophobicContact CD2-CD2 3.77Å; L124-L303 HydrophobicContact CG-CD1 4.06Å; L124-L303 HydrophobicContact CG-CD2 4.02Å; L124-V425 HydrophobicContact CD1-CG1 4.36Å; L124-F428 HydrophobicContact CD1-CD1 4.36Å; L124-F428 HydrophobicContact CD1-CE1 4.31Å; L124-M429 HydrophobicContact CD2-CG 4.16Å; L124-M429 HydrophobicContact CD2-SD 4.06Å
125N94.8Very high88Confident45 Ų4540.7 Ų40.724%0.24123%0.231CC..Hα-helixtrans-61-46.7176.4-60.860000112.5P38 S123 L127 C129 L303 N305P38-N125 HydrophobicContact CB-CB 4.32Å; S123-N125 PolarHBondContact O-N 2.81Å; N125-L127 VanDerWaalsContact C-N 3.35Å; N125-C129 WeakPolarHBondContact O-CB 3.43Å; N125-C129 PolarHBondContact O-N 3.41Å; N125-L303 WeakPolarHBondContact CA-O 3.41Å; N125-L303 WeakPolarHBondContact CB-O 3.14Å; N125-L303 VanDerWaalsContact CG-O 3.3Å; N125-L303 PolarHBondContact ND2-O 3.49Å; N125-N305 PolarHBondContact ND2-ND2 2.9Å; N125-N305 PolarHBondContact ND2-OD1 3.01Å
126E95.5Very high88.7Confident36 Ų3633 Ų3317%0.16820%0.202CC..Hα-helixtrans-64-40.9176-71.1166.812400111.6P38 L39 K87 W122 S123 C129 G130P38-E126 HydrophobicContact CB-CG 3.88Å; L39-E126 HydrophobicContact CD2-CB 3.89Å; L39-E126 HydrophobicContact CD2-CG 3.87Å; L39-E126 HydrophobicContact CG-CB 4.2Å; L39-E126 HydrophobicContact CG-CG 4.24Å; K87-E126 IonicContact NZ-OE1 3.89Å; K87-E126 PolarHBondContact NZ-OE1 3.4Å; K87-E126 IonicContact NZ-OE2 3.69Å; K87-E126 PolarHBondContact NZ-OE2 3.36Å; W122-E126 HydrophobicContact CE3-CB 3.65Å; W122-E126 HydrophobicContact CZ3-CB 4.07Å; W122-E126 WeakPolarHBondContact CZ3-O 3.17Å; S123-E126 WeakPolarHBondContact CB-OE2 3.47Å; S123-E126 PolarHBondContact N-OE2 3.24Å; S123-E126 PolarHBondContact O-N 2.84Å; S123-E126 WeakPolarHBondContact OG-CB 3.23Å; S123-E126 VanDerWaalsContact OG-CD 3.24Å; S123-E126 WeakPolarHBondContact OG-CG 3.42Å; S123-E126 PolarHBondContact OG-N 3.24Å; S123-E126 PolarHBondContact OG-OE2 2.83Å; E126-C129 PolarHBondContact O-N 3.05Å; E126-G130 PolarHBondContact O-N 3.23Å
127L96Very high90Very high0 Ų026.6 Ų26.60%016%0.164CC..Hα-helixtrans-65.2-45-179.1175.457.5000111.4L91 I110 L113 W122 S123 L124 N125 C129 G130 A131 F421L91-L127 HydrophobicContact CD1-CD1 3.83Å; I110-L127 HydrophobicContact CB-CD2 4.49Å; I110-L127 HydrophobicContact CD1-CD2 4.02Å; I110-L127 HydrophobicContact CG2-CD2 3.93Å; L113-L127 HydrophobicContact CB-CD1 4.27Å; L113-L127 HydrophobicContact CB-CD2 3.93Å; L113-L127 HydrophobicContact CD1-CD1 3.55Å; L113-L127 HydrophobicContact CD1-CD2 4.19Å; L113-L127 HydrophobicContact CG-CD1 4.46Å; W122-L127 HydrophobicContact CB-CB 4.1Å; W122-L127 HydrophobicContact CE3-CB 4.36Å; S123-L127 PolarHBondContact O-N 3.43Å; L124-L127 PolarHBondContact O-N 3.07Å; N125-L127 VanDerWaalsContact C-N 3.35Å; L127-C129 VanDerWaalsContact C-N 3.34Å; L127-G130 PolarHBondContact O-N 2.94Å; L127-A131 WeakPolarHBondContact O-CB 3.33Å; L127-A131 PolarHBondContact O-N 3.3Å; L127-F421 HydrophobicContact CG-CZ 4.21Å
128V96.6Very high91.5Very high0 Ų023.9 Ų23.90%014%0.135CC..Hα-helixtrans-63.9-41.9177.5175.50000110.7L124 A131 L132 F300 L303 V304 F421 V425L124-V128 HydrophobicContact CD1-CG2 4.33Å; L124-V128 HydrophobicContact CG-CG2 4.4Å; L124-V128 VanDerWaalsContact O-CG2 3.23Å; L124-V128 WeakPolarHBondContact O-CG2 3.21Å; L124-V128 PolarHBondContact O-N 3.33Å; V128-A131 PolarHBondContact O-N 3.34Å; V128-L132 WeakPolarHBondContact O-CB 3.45Å; V128-L132 PolarHBondContact O-N 2.84Å; V128-F300 HydrophobicContact CG1-CD1 3.35Å; V128-F300 HydrophobicContact CG1-CE1 3.44Å; V128-F300 VanDerWaalsContact CG1-CE1 3.44Å; V128-F300 HydrophobicContact CG1-CG 4.12Å; V128-F300 HydrophobicContact CG1-CZ 4.29Å; V128-L303 HydrophobicContact CB-CB 4.06Å; V128-L303 HydrophobicContact CG1-CB 4.05Å; V128-L303 HydrophobicContact CG2-CB 3.93Å; V128-L303 HydrophobicContact CG2-CD1 3.74Å; V128-L303 HydrophobicContact CG2-CG 4.44Å; V128-V304 HydrophobicContact CG1-CG2 3.68Å; V128-F421 HydrophobicContact CB-CE1 4.42Å; V128-F421 HydrophobicContact CG2-CE1 4.06Å; V128-V425 HydrophobicContact CG2-CG2 4.27Å
129C96.5Very high93.3Very high6 Ų618.5 Ų18.54%0.04111%0.107CC..Hα-helixtrans-60.7-44.8172.8-176.60000111.8P38 L39 N125 E126 L127 L132 I133P38-C129 HydrophobicContact CG-CB 3.69Å; L39-C129 HydrophobicContact CD1-CB 4.23Å; N125-C129 WeakPolarHBondContact O-CB 3.43Å; N125-C129 PolarHBondContact O-N 3.41Å; E126-C129 PolarHBondContact O-N 3.05Å; L127-C129 VanDerWaalsContact C-N 3.34Å; C129-L132 WeakPolarHBondContact O-CB 3.3Å; C129-L132 PolarHBondContact O-N 2.93Å; C129-I133 WeakPolarHBondContact O-CD1 3.16Å; C129-I133 WeakPolarHBondContact O-CG1 3.22Å; C129-I133 PolarHBondContact O-N 3.28Å
130G97.3Very high95Very high0 Ų014 Ų140%08%0.075CC..Hα-helixtrans-60.5-47.917600000112.6E126 L127 L132 I133 L134E126-G130 PolarHBondContact O-N 3.23Å; L127-G130 PolarHBondContact O-N 2.94Å; G130-L132 VanDerWaalsContact C-N 3.3Å; G130-L132 PolarHBondContact O-N 2.74Å; G130-I133 PolarHBondContact O-N 3.26Å; G130-L134 VanDerWaalsContact O-CG 3.29Å; G130-L134 WeakPolarHBondContact O-CG 3.47Å; G130-L134 PolarHBondContact O-N 2.83Å
131A97.7Very high96.3Very high0 Ų011.4 Ų11.40%06%0.064CC..Hα-helixtrans-64.2-33.5177.900000113.1L98 L127 V128 S135 F421L98-A131 HydrophobicContact CD1-CB 4.02Å; L127-A131 WeakPolarHBondContact O-CB 3.33Å; L127-A131 PolarHBondContact O-N 3.3Å; V128-A131 PolarHBondContact O-N 3.34Å; A131-S135 WeakPolarHBondContact O-CB 3.45Å; A131-S135 PolarHBondContact O-N 2.94Å; A131-S135 PolarHBondContact O-OG 3.38Å; A131-F421 HydrophobicContact CB-CD1 3.82Å; A131-F421 HydrophobicContact CB-CD2 3.78Å; A131-F421 HydrophobicContact CB-CE1 3.43Å; A131-F421 VanDerWaalsContact CB-CE1 3.43Å; A131-F421 HydrophobicContact CB-CE2 3.4Å; A131-F421 VanDerWaalsContact CB-CE2 3.4Å; A131-F421 HydrophobicContact CB-CG 3.98Å; A131-F421 HydrophobicContact CB-CZ 3.22Å
132L98Very high97Very high1 Ų18.6 Ų8.61%0.0055%0.049CC..Hα-helixtrans-62.9-48.7173-174.860.4000111.2M32 V128 C129 G130 S135 R136 F300 V304 L309 I310 I313 F414 L418M32-L132 HydrophobicContact CE-CD2 4.29Å; M32-L132 HydrophobicContact CE-CG 3.97Å; V128-L132 WeakPolarHBondContact O-CB 3.45Å; V128-L132 PolarHBondContact O-N 2.84Å; C129-L132 WeakPolarHBondContact O-CB 3.3Å; C129-L132 PolarHBondContact O-N 2.93Å; G130-L132 VanDerWaalsContact C-N 3.3Å; G130-L132 PolarHBondContact O-N 2.74Å; L132-S135 PolarHBondContact O-N 3.15Å; L132-R136 WeakPolarHBondContact O-CB 3.43Å; L132-R136 PolarHBondContact O-N 3.48Å; L132-F300 HydrophobicContact CB-CE1 4.01Å; L132-F300 HydrophobicContact CD1-CD1 4.34Å; L132-F300 HydrophobicContact CD1-CE1 4.06Å; L132-V304 HydrophobicContact CD2-CG1 4.35Å; L132-V304 HydrophobicContact CD2-CG2 4.23Å; L132-L309 HydrophobicContact CD2-CD2 3.76Å; L132-L309 HydrophobicContact CD2-CG 4.19Å; L132-I310 HydrophobicContact CD2-CD1 4.29Å; L132-I313 HydrophobicContact CD1-CD1 3.67Å; L132-I313 HydrophobicContact CD2-CD1 3.84Å; L132-I313 HydrophobicContact CG-CD1 4.24Å; L132-F414 HydrophobicContact CD1-CE2 4.03Å; L132-F414 HydrophobicContact CD1-CZ 3.68Å; L132-L418 HydrophobicContact CD1-CD1 4.21Å; L132-L418 HydrophobicContact CD1-CD2 3.77Å
133I98.4Very high97.3Very high0 Ų08.4 Ų8.40%05%0.048CC..Hα-helixtrans-60.3-46.4177-68.5159.6000110.9M32 F33 R44 I47 A48 C129 G130 S135 R136 T137M32-I133 HydrophobicContact CG-CG1 3.74Å; M32-I133 HydrophobicContact SD-CG1 4.05Å; F33-I133 HydrophobicContact CE1-CG2 3.73Å; F33-I133 HydrophobicContact CZ-CG2 4.19Å; R44-I133 HydrophobicContact CB-CD1 3.67Å; R44-I133 HydrophobicContact CG-CD1 3.65Å; I47-I133 HydrophobicContact CB-CG2 4.26Å; I47-I133 HydrophobicContact CG2-CB 4.16Å; I47-I133 HydrophobicContact CG2-CG2 3.84Å; A48-I133 HydrophobicContact CB-CG2 3.87Å; C129-I133 WeakPolarHBondContact O-CD1 3.16Å; C129-I133 WeakPolarHBondContact O-CG1 3.22Å; C129-I133 PolarHBondContact O-N 3.28Å; G130-I133 PolarHBondContact O-N 3.26Å; I133-S135 PolarHBondContact O-N 3.17Å; I133-R136 PolarHBondContact O-N 3.02Å; I133-T137 WeakPolarHBondContact O-CB 3.42Å; I133-T137 PolarHBondContact O-N 2.93Å; I133-T137 PolarHBondContact O-OG1 3.11Å
134L98.7Very high97.4Very high0 Ų06.1 Ų6.10%03%0.032CC..Hα-helixtrans-55.7-54176.3-69.9172.7000110.7I47 A51 L91 I94 N95 L98 G130 R136 T137 H138I47-L134 HydrophobicContact CG2-CD2 3.57Å; I47-L134 HydrophobicContact CG2-CG 3.7Å; A51-L134 HydrophobicContact CB-CD2 3.78Å; L91-L134 HydrophobicContact CD2-CD1 3.88Å; L91-L134 HydrophobicContact CD2-CG 4.34Å; L91-L134 HydrophobicContact CG-CD1 3.96Å; I94-L134 HydrophobicContact CG2-CD1 4.28Å; N95-L134 HydrophobicContact CB-CD1 4.03Å; N95-L134 HydrophobicContact CB-CD2 3.89Å; L98-L134 HydrophobicContact CD1-CB 4.42Å; L98-L134 HydrophobicContact CD1-CD1 4.29Å; G130-L134 VanDerWaalsContact O-CG 3.29Å; G130-L134 WeakPolarHBondContact O-CG 3.47Å; G130-L134 PolarHBondContact O-N 2.83Å; L134-R136 PolarHBondContact O-N 2.7Å; L134-T137 PolarHBondContact O-N 3.32Å; L134-H138 PolarHBondContact O-N 3.48Å; L134-H138 PolarHBondContact O-ND1 3.36Å; L134-H138 VanDerWaalsContact O-ND1 3.1Å
135S98.6Very high97.5Very high1 Ų16.4 Ų6.41%0.0073%0.032CC..Hα-helixtrans-62.9-42-176.5-58.30000112.3A131 L132 I133 H138 S139A131-S135 WeakPolarHBondContact O-CB 3.45Å; A131-S135 PolarHBondContact O-N 2.94Å; A131-S135 PolarHBondContact O-OG 3.38Å; L132-S135 PolarHBondContact O-N 3.15Å; I133-S135 PolarHBondContact O-N 3.17Å; S135-H138 PolarHBondContact O-N 2.61Å; S135-S139 PolarHBondContact O-N 3.48Å; S135-S139 VanDerWaalsContact O-N 3.12Å
136R98.5Very high97.5Very high1 Ų14.4 Ų4.40%0.0042%0.022CC..Hα-helixtrans-67.6-39.6177-179.658.7-167.8-174.20.2112M28 L29 M32 L132 I133 L134 H138 S139 L140 E411 F414M28-R136 HydrophobicContact CE-CG 4.27Å; L29-R136 HydrophobicContact CD2-CG 4.47Å; M32-R136 HydrophobicContact CE-CB 3.8Å; M32-R136 HydrophobicContact CE-CG 3.93Å; M32-R136 HydrophobicContact SD-CB 3.87Å; M32-R136 HydrophobicContact SD-CG 3.97Å; L132-R136 WeakPolarHBondContact O-CB 3.43Å; L132-R136 PolarHBondContact O-N 3.48Å; I133-R136 PolarHBondContact O-N 3.02Å; L134-R136 PolarHBondContact O-N 2.7Å; R136-H138 VanDerWaalsContact C-N 3.32Å; R136-H138 PolarHBondContact O-N 3Å; R136-S139 PolarHBondContact O-N 3.09Å; R136-S139 PolarHBondContact O-OG 3.19Å; R136-L140 HydrophobicContact CG-CD1 4.37Å; R136-L140 HydrophobicContact CG-CG 4.48Å; R136-L140 WeakPolarHBondContact O-CG 3.23Å; R136-L140 PolarHBondContact O-N 3.46Å; R136-E411 IonicContact CZ-OE1 3.43Å; R136-E411 IonicContact NH1-OE1 2.83Å; R136-E411 PolarHBondContact NH1-OE1 3.09Å; R136-E411 IonicContact NH1-OE2 3.04Å; R136-E411 PolarHBondContact NH1-OE2 3.08Å; R136-E411 IonicContact NH2-OE1 2.7Å; R136-F414 HydrophobicContact CB-CD2 4.41Å; R136-F414 HydrophobicContact CB-CE1 4.47Å; R136-F414 HydrophobicContact CB-CE2 3.76Å; R136-F414 HydrophobicContact CB-CZ 3.8Å; R136-F414 HydrophobicContact CG-CZ 4.43Å
137T98.8Very high97.5Very high0 Ų03.4 Ų3.40%02%0.019CC..Hα-helixtrans-66.1-39178.7-52.70000110.9A48 A51 A52 L60 I133 L134 S139 L140 C141A48-T137 HydrophobicContact CB-CG2 4.22Å; A48-T137 WeakPolarHBondContact CB-OG1 3.22Å; A48-T137 WeakPolarHBondContact O-CG2 3.13Å; A51-T137 HydrophobicContact CB-CG2 3.8Å; A52-T137 HydrophobicContact CB-CG2 4.08Å; L60-T137 HydrophobicContact CD1-CG2 3.98Å; I133-T137 WeakPolarHBondContact O-CB 3.42Å; I133-T137 PolarHBondContact O-N 2.93Å; I133-T137 PolarHBondContact O-OG1 3.11Å; L134-T137 PolarHBondContact O-N 3.32Å; T137-S139 PolarHBondContact O-N 3.28Å; T137-L140 PolarHBondContact O-N 3.16Å; T137-C141 PolarHBondContact O-N 2.92Å; T137-C141 PolarHBondContact O-SG 2.63Å
138H98.8Very high97.2Very high0 Ų03.8 Ų3.80%02%0.022CC..Hα-helixtrans-62.4-38173.7-66.1148.6000113.7A51 H55 N95 A99 L134 S135 R136 C141 S142 R413A51-H138 WeakPolarHBondContact CA-NE2 3.41Å; A51-H138 WeakPolarHBondContact CB-NE2 3.47Å; A51-H138 PolarHBondContact O-CD2 3.45Å; H55-H138 AromaticContact CD2-CD2 3.76Å; H55-H138 AromaticContact NE2-CD2 3.92Å; N95-H138 PolarHBondContact O-CE1 3.04Å; N95-H138 PolarHBondContact OD1-CE1 3.12Å; N95-H138 VanDerWaalsContact OD1-CE1 3.24Å; N95-H138 PolarHBondContact OD1-NE2 2.83Å; N95-H138 VanDerWaalsContact OD1-NE2 3.07Å; A99-H138 WeakPolarHBondContact CA-ND1 3.44Å; A99-H138 VanDerWaalsContact CB-CE1 3.45Å; A99-H138 WeakPolarHBondContact CB-CE1 3.33Å; A99-H138 WeakPolarHBondContact CB-NE2 3.39Å; L134-H138 PolarHBondContact O-N 3.48Å; L134-H138 PolarHBondContact O-ND1 3.36Å; L134-H138 VanDerWaalsContact O-ND1 3.1Å; S135-H138 PolarHBondContact O-N 2.61Å; R136-H138 VanDerWaalsContact C-N 3.32Å; R136-H138 PolarHBondContact O-N 3Å; H138-C141 WeakPolarHBondContact O-CB 3.38Å; H138-S142 PolarHBondContact O-N 2.88Å; H138-S142 PolarHBondContact O-OG 2.77Å; H138-S142 VanDerWaalsContact O-OG 3.12Å; H138-R413 PolarHBondContact O-NE 3.29Å
139S98.5Very high96.6Very high0 Ų04.1 Ų4.10%02%0.024CC..Hα-helixtrans-72.3-38.9175.862.40000112.2S135 R136 T137 C141 S142 F143 S410S135-S139 PolarHBondContact O-N 3.48Å; S135-S139 VanDerWaalsContact O-N 3.12Å; R136-S139 PolarHBondContact O-N 3.09Å; R136-S139 PolarHBondContact O-OG 3.19Å; T137-S139 PolarHBondContact O-N 3.28Å; S139-C141 VanDerWaalsContact C-N 3.31Å; S139-C141 PolarHBondContact O-N 3.3Å; S139-S142 WeakPolarHBondContact O-CA 3.36Å; S139-S142 WeakPolarHBondContact O-CB 3.47Å; S139-S142 PolarHBondContact O-N 3.3Å; S139-F143 PolarHBondContact O-N 3.46Å; S139-S410 WeakPolarHBondContact CB-O 3.37Å; S139-S410 PolarHBondContact O-OG 3.01Å
140L98.4Very high95.4Very high2 Ų28.1 Ų8.11%0.014%0.043CC..Hα-helixtrans-59.6-40.5171.3-71.6176.5000112.1W8 L11 L29 L60 R136 T137 S142 F143 I144W8-L140 HydrophobicContact CZ3-CD1 4.4Å; L11-L140 HydrophobicContact CD2-CD2 3.96Å; L29-L140 HydrophobicContact CD2-CD1 3.89Å; L60-L140 HydrophobicContact CD1-CB 3.78Å; R136-L140 HydrophobicContact CG-CD1 4.37Å; R136-L140 HydrophobicContact CG-CG 4.48Å; R136-L140 WeakPolarHBondContact O-CG 3.23Å; R136-L140 PolarHBondContact O-N 3.46Å; T137-L140 PolarHBondContact O-N 3.16Å; L140-S142 PolarHBondContact O-N 3.34Å; L140-F143 WeakPolarHBondContact O-CB 3.36Å; L140-F143 PolarHBondContact O-N 3.44Å; L140-I144 HydrophobicContact CB-CD1 4.42Å; L140-I144 WeakPolarHBondContact O-CB 3.48Å; L140-I144 WeakPolarHBondContact O-CD1 3.27Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.34Å; L140-I144 PolarHBondContact O-N 3.16Å
141C98.2Very high93.6Very high0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-54.8-42.1172.3-65.20000111H55 C57 T137 H138 S139 I144 H145 P382H55-C141 HydrophobicContact CB-CB 3.8Å; C57-C141 HydrophobicContact CB-CB 4.13Å; C57-C141 WeakPolarHBondContact CB-SG 3.41Å; T137-C141 PolarHBondContact O-N 2.92Å; T137-C141 PolarHBondContact O-SG 2.63Å; H138-C141 WeakPolarHBondContact O-CB 3.38Å; S139-C141 VanDerWaalsContact C-N 3.31Å; S139-C141 PolarHBondContact O-N 3.3Å; C141-I144 PolarHBondContact O-N 3.35Å; C141-H145 PolarHBondContact O-CD2 3.44Å; C141-H145 PolarHBondContact O-N 3.47Å; C141-P382 HydrophobicContact CB-CG 4.41Å
142S98.1Very high91.6Very high0 Ų017.1 Ų17.10%010%0.095CC..Hα-helixtrans-62.7-47.2178.6-53.90000111.6H138 S139 L140 A146 S378 R413H138-S142 PolarHBondContact O-N 2.88Å; H138-S142 PolarHBondContact O-OG 2.77Å; H138-S142 VanDerWaalsContact O-OG 3.12Å; S139-S142 WeakPolarHBondContact O-CA 3.36Å; S139-S142 WeakPolarHBondContact O-CB 3.47Å; S139-S142 PolarHBondContact O-N 3.3Å; L140-S142 PolarHBondContact O-N 3.34Å; S142-A146 WeakPolarHBondContact O-CB 3.4Å; S142-A146 PolarHBondContact O-N 3.42Å; S142-S378 WeakPolarHBondContact CB-O 3.44Å; S142-S378 PolarHBondContact OG-O 3.21Å; S142-R413 WeakPolarHBondContact OG-CD 3.31Å; S142-R413 PolarHBondContact OG-NE 2.65Å
143F98Very high89.3Confident2 Ų218.8 Ų18.81%0.00910%0.102CC..Hα-helixtrans-58.6-50.5174.9-176.4-92.8000112.3L11 C14 L15 S139 L140 H145 A146 C147 V403 N406 M407L11-F143 HydrophobicContact CD1-CD1 3.45Å; L11-F143 VanDerWaalsContact CD1-CD1 3.45Å; L11-F143 HydrophobicContact CD1-CE1 3.6Å; C14-F143 HydrophobicContact CB-CE1 4.02Å; C14-F143 HydrophobicContact CB-CZ 4.05Å; L15-F143 HydrophobicContact CD2-CE1 3.9Å; L15-F143 HydrophobicContact CD2-CE2 3.71Å; L15-F143 HydrophobicContact CD2-CZ 3.33Å; L15-F143 HydrophobicContact CG-CE1 4.27Å; L15-F143 HydrophobicContact CG-CZ 4.1Å; S139-F143 PolarHBondContact O-N 3.46Å; L140-F143 WeakPolarHBondContact O-CB 3.36Å; L140-F143 PolarHBondContact O-N 3.44Å; F143-H145 PolarHBondContact O-N 3.16Å; F143-A146 PolarHBondContact O-N 2.98Å; F143-C147 HydrophobicContact CE1-CB 4.4Å; F143-C147 WeakPolarHBondContact CZ-SG 3.5Å; F143-C147 WeakPolarHBondContact O-CB 3.17Å; F143-C147 PolarHBondContact O-N 3.43Å; F143-C147 PolarHBondContact O-SG 3.02Å; F143-V403 HydrophobicContact CE2-CG1 4.12Å; F143-V403 HydrophobicContact CZ-CG1 3.95Å; F143-N406 HydrophobicContact CD2-CB 3.98Å; F143-N406 HydrophobicContact CE2-CB 4.06Å; F143-M407 HydrophobicContact CD2-CG 4.47Å; F143-M407 HydrophobicContact CE2-CG 3.86Å
144I96.8Very high86.9Confident4 Ų425.7 Ų25.72%0.02114%0.135CC..Hα-helixtrans-61.2-49.1-174.5-74.7159.4000111.3L11 F59 L60 L140 C141 C147 G148 V149L11-I144 HydrophobicContact CD1-CG1 4.18Å; F59-I144 HydrophobicContact CB-CG2 4.36Å; F59-I144 HydrophobicContact CD1-CD1 3.63Å; F59-I144 HydrophobicContact CD1-CG1 4.31Å; F59-I144 HydrophobicContact CE1-CD1 4.19Å; L60-I144 HydrophobicContact CD1-CD1 3.61Å; L60-I144 HydrophobicContact CD2-CD1 3.79Å; L60-I144 HydrophobicContact CG-CD1 3.45Å; L60-I144 VanDerWaalsContact CG-CD1 3.45Å; L140-I144 HydrophobicContact CB-CD1 4.42Å; L140-I144 WeakPolarHBondContact O-CB 3.48Å; L140-I144 WeakPolarHBondContact O-CD1 3.27Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.34Å; L140-I144 PolarHBondContact O-N 3.16Å; C141-I144 PolarHBondContact O-N 3.35Å; I144-C147 PolarHBondContact O-N 3.25Å; I144-G148 WeakPolarHBondContact O-CA 3.49Å; I144-G148 PolarHBondContact O-N 2.83Å; I144-V149 HydrophobicContact CB-CB 4.46Å; I144-V149 HydrophobicContact CG1-CB 4.49Å; I144-V149 HydrophobicContact CG2-CB 4.04Å; I144-V149 PolarHBondContact O-N 2.93Å
145H95.2Very high84.3Confident36 Ų3627.5 Ų27.517%0.16714%0.144CC..Hα-helixtrans-68.3-37.8178.4-78.4-75.8000112.5H55 C141 F143 G148 P382 V385 R390H55-H145 PolarHBondContact O-NE2 3.49Å; C141-H145 PolarHBondContact O-CD2 3.44Å; C141-H145 PolarHBondContact O-N 3.47Å; F143-H145 PolarHBondContact O-N 3.16Å; H145-G148 PolarHBondContact O-N 3.44Å; H145-P382 HydrophobicContact CB-CB 3.71Å; H145-P382 WeakPolarHBondContact CB-O 3.4Å; H145-V385 HydrophobicContact CB-CB 4.46Å; H145-R390 PolarHBondContact O-NH1 3.33Å
146A95.9Very high81.8Confident4 Ų430.1 Ų30.13%0.03316%0.16CC..Hα-helixtrans-66.8-36177.900000112.7S142 F143 F374 R390 N406S142-A146 WeakPolarHBondContact O-CB 3.4Å; S142-A146 PolarHBondContact O-N 3.42Å; F143-A146 PolarHBondContact O-N 2.98Å; A146-F374 HydrophobicContact CB-CE2 4.44Å; A146-F374 HydrophobicContact CB-CZ 4.01Å; A146-R390 WeakPolarHBondContact O-CD 3.5Å; A146-N406 VanDerWaalsContact C-ND2 3.29Å; A146-N406 HydrophobicContact CB-CB 4.21Å; A146-N406 WeakPolarHBondContact CB-OD1 3.33Å; A146-N406 PolarHBondContact O-ND2 2.94Å
147C94Very high79.1Confident15 Ų1533.7 Ų33.710%0.10119%0.189CC..Hα-helixtrans-80.6-22.2173.3-73.40000112.7F143 I144 V149 N406F143-C147 HydrophobicContact CE1-CB 4.4Å; F143-C147 WeakPolarHBondContact CZ-SG 3.5Å; F143-C147 WeakPolarHBondContact O-CB 3.17Å; F143-C147 PolarHBondContact O-N 3.43Å; F143-C147 PolarHBondContact O-SG 3.02Å; I144-C147 PolarHBondContact O-N 3.25Å; C147-V149 HydrophobicContact CB-CG2 3.74Å; C147-N406 PolarHBondContact N-ND2 2.91Å; C147-N406 PolarHBondContact SG-ND2 3.25Å
148G90.8Very high76.5Confident7 Ų736.5 Ų36.57%0.07221%0.213CC..THydrogen-bonded Turntrans72.536.1-172.300000112.8I144 H145 H150I144-G148 WeakPolarHBondContact O-CA 3.49Å; I144-G148 PolarHBondContact O-N 2.83Å; H145-G148 PolarHBondContact O-N 3.44Å; G148-H150 PolarHBondContact O-CE1 2.87Å; G148-H150 VanDerWaalsContact O-CE1 3.32Å; G148-H150 PolarHBondContact O-N 2.77Å; G148-H150 PolarHBondContact O-ND1 3.26Å
149V84.2Confident74.1Confident7 Ų739.3 Ų39.34%0.04223%0.227CC..  trans-71.2121.7176.3179.40000108.8P10 I144 C147 F153P10-V149 HydrophobicContact CB-CG1 3.62Å; I144-V149 HydrophobicContact CB-CB 4.46Å; I144-V149 HydrophobicContact CG1-CB 4.49Å; I144-V149 HydrophobicContact CG2-CB 4.04Å; I144-V149 PolarHBondContact O-N 2.93Å; C147-V149 HydrophobicContact CB-CG2 3.74Å; V149-F153 HydrophobicContact CB-CE2 4.37Å; V149-F153 HydrophobicContact CG1-CD2 3.92Å; V149-F153 HydrophobicContact CG1-CE2 3.93Å; V149-F153 HydrophobicContact CG2-CE2 4.14Å
150H71.7Confident71.3Confident91 Ų9144.9 Ų44.942%0.42126%0.256SS..  trans-117.9160174.7-61.276.7000109.3G148 D152 F153G148-H150 PolarHBondContact O-CE1 2.87Å; G148-H150 VanDerWaalsContact O-CE1 3.32Å; G148-H150 PolarHBondContact O-N 2.77Å; G148-H150 PolarHBondContact O-ND1 3.26Å; H150-D152 PolarHBondContact O-N 3.41Å; H150-F153 PolarHBondContact O-N 2.91Å
151S58.5Low68.3Low58 Ų5848.1 Ų48.141%0.40629%0.29SS..THydrogen-bonded Turntrans-56.2-31.4175.851.90000112.9F153S151-F153 PolarHBondContact O-N 2.96Å; S151-F153 VanDerWaalsContact O-N 3.12Å
152D55.3Low65.5Low131 Ų13157 Ų5770%0.70133%0.332SS*.THydrogen-bonded Turntrans-88.639.3-175.8-62-1.5000112.4H150 Q154H150-D152 PolarHBondContact O-N 3.41Å; D152-Q154 PolarHBondContact O-N 3.32Å
153F50.5Low62.5Low35 Ų3560 Ų6015%0.15436%0.357CS..  trans-52.889.3-164.5-159.6-98.3000114.8P10 C14 V149 H150 S151 I155 V156P10-F153 HydrophobicContact CB-CB 3.82Å; P10-F153 HydrophobicContact CB-CD2 3.63Å; P10-F153 HydrophobicContact CB-CE2 4.3Å; P10-F153 HydrophobicContact CB-CG 3.8Å; P10-F153 HydrophobicContact CG-CB 3.9Å; P10-F153 HydrophobicContact CG-CG 4.36Å; P10-F153 WeakPolarHBondContact O-CE2 3.42Å; P10-F153 VanDerWaalsContact O-CZ 3.25Å; P10-F153 WeakPolarHBondContact O-CZ 3.49Å; C14-F153 VanDerWaalsContact SG-CZ 3.53Å; V149-F153 HydrophobicContact CB-CE2 4.37Å; V149-F153 HydrophobicContact CG1-CD2 3.92Å; V149-F153 HydrophobicContact CG1-CE2 3.93Å; V149-F153 HydrophobicContact CG2-CE2 4.14Å; H150-F153 PolarHBondContact O-N 2.91Å; S151-F153 PolarHBondContact O-N 2.96Å; S151-F153 VanDerWaalsContact O-N 3.12Å; F153-I155 HydrophobicContact CD1-CB 4.03Å; F153-I155 HydrophobicContact CD2-CB 4.25Å; F153-I155 HydrophobicContact CD2-CD1 4.14Å; F153-I155 HydrophobicContact CD2-CG1 4.45Å; F153-I155 HydrophobicContact CE1-CB 3.61Å; F153-I155 HydrophobicContact CE1-CG2 4.04Å; F153-I155 HydrophobicContact CE2-CB 3.87Å; F153-I155 HydrophobicContact CE2-CD1 3.76Å; F153-I155 HydrophobicContact CE2-CG1 4.25Å; F153-I155 HydrophobicContact CE2-CG2 4.31Å; F153-I155 HydrophobicContact CG-CB 4.34Å; F153-I155 HydrophobicContact CZ-CB 3.54Å; F153-I155 HydrophobicContact CZ-CD1 4.25Å; F153-I155 HydrophobicContact CZ-CG1 4.4Å; F153-I155 HydrophobicContact CZ-CG2 3.72Å; F153-I155 PolarHBondContact O-N 3Å; F153-V156 HydrophobicContact CD1-CG2 3.72Å; F153-V156 HydrophobicContact CE1-CG2 3.53Å
154Q46.9Very low59.4Low146 Ų14669 Ų6968%0.68240%0.399SS*.  trans-82.44.9170.3-71.6179.516.600113.1D152 V156 A157D152-Q154 PolarHBondContact O-N 3.32Å; Q154-V156 VanDerWaalsContact C-N 3.33Å; Q154-V156 PolarHBondContact O-N 2.93Å; Q154-A157 PolarHBondContact O-N 2.81Å
155I45.3Very low56.4Low38 Ų3876.9 Ų76.920%0.19544%0.436CS..Hα-helixtrans-73.2-24.1-172.3-66.1173.6000111.6F153 A157 M159 F399F153-I155 HydrophobicContact CD1-CB 4.03Å; F153-I155 HydrophobicContact CD2-CB 4.25Å; F153-I155 HydrophobicContact CD2-CD1 4.14Å; F153-I155 HydrophobicContact CD2-CG1 4.45Å; F153-I155 HydrophobicContact CE1-CB 3.61Å; F153-I155 HydrophobicContact CE1-CG2 4.04Å; F153-I155 HydrophobicContact CE2-CB 3.87Å; F153-I155 HydrophobicContact CE2-CD1 3.76Å; F153-I155 HydrophobicContact CE2-CG1 4.25Å; F153-I155 HydrophobicContact CE2-CG2 4.31Å; F153-I155 HydrophobicContact CG-CB 4.34Å; F153-I155 HydrophobicContact CZ-CB 3.54Å; F153-I155 HydrophobicContact CZ-CD1 4.25Å; F153-I155 HydrophobicContact CZ-CG1 4.4Å; F153-I155 HydrophobicContact CZ-CG2 3.72Å; F153-I155 PolarHBondContact O-N 3Å; I155-A157 PolarHBondContact O-N 3.43Å; I155-M159 HydrophobicContact CG2-CG 4.49Å; I155-M159 HydrophobicContact CG2-SD 3.55Å; I155-M159 VanDerWaalsContact CG2-SD 3.55Å; I155-M159 WeakPolarHBondContact O-CG 2.99Å; I155-F399 HydrophobicContact CG2-CE1 4.34Å; I155-F399 HydrophobicContact CG2-CZ 4.03Å
156V45Very low53.3Low56 Ų5679.1 Ų79.134%0.33945%0.453SS..Hα-helixtrans-70.3-31176.6-174.50000113.4F153 Q154 A158 M159F153-V156 HydrophobicContact CD1-CG2 3.72Å; F153-V156 HydrophobicContact CE1-CG2 3.53Å; Q154-V156 VanDerWaalsContact C-N 3.33Å; Q154-V156 PolarHBondContact O-N 2.93Å; V156-A158 VanDerWaalsContact C-N 3.3Å; V156-A158 PolarHBondContact O-N 2.85Å; V156-M159 PolarHBondContact O-N 3.09Å; V156-M159 VanDerWaalsContact O-N 3.12Å
157A42.6Very low50.2Low75 Ų7587 Ų8762%0.6249%0.494SS*.Hα-helixtrans-68.5-29-178.800000112.8Q154 I155Q154-A157 PolarHBondContact O-N 2.81Å; I155-A157 PolarHBondContact O-N 3.43Å
158A43.8Very low47.2Very low60 Ų6091.6 Ų91.650%0.49652%0.521SS..Hα-helixtrans-80.3-17.6174.300000113V156 P166V156-A158 VanDerWaalsContact C-N 3.3Å; V156-A158 PolarHBondContact O-N 2.85Å; A158-P166 HydrophobicContact CB-CG 4.5Å
159M47.7Very low44.6Very low59 Ų5996.3 Ų96.329%0.29154%0.544SS..Hα-helixtrans-91.8-14.8-170-69.917282.700114.2L17 I155 V156 F399L17-M159 HydrophobicContact CD1-CE 3.61Å; L17-M159 HydrophobicContact CD2-CE 3.48Å; L17-M159 VanDerWaalsContact CD2-CE 3.48Å; L17-M159 HydrophobicContact CG-CE 3.64Å; I155-M159 HydrophobicContact CG2-CG 4.49Å; I155-M159 HydrophobicContact CG2-SD 3.55Å; I155-M159 VanDerWaalsContact CG2-SD 3.55Å; I155-M159 WeakPolarHBondContact O-CG 2.99Å; V156-M159 PolarHBondContact O-N 3.09Å; V156-M159 VanDerWaalsContact O-N 3.12Å; M159-F399 HydrophobicContact CE-CD1 3.95Å; M159-F399 HydrophobicContact CE-CE1 3.65Å; M159-F399 HydrophobicContact SD-CE1 3.95Å
160N41.3Very low42.1Very low116 Ų11699.8 Ų99.862%0.6257%0.567SS**SBendtrans-96.65.7-179.8-69.9-16.7000114.5E162N160-E162 PolarHBondContact O-N 3.29Å; N160-E162 VanDerWaalsContact O-N 3.11Å
161G35.6Very low39.9Very low70 Ų70105.2 Ų105.272%0.72258%0.584SS**SBendtrans66.812.5171.200000115.9
162E39.2Very low38.7Very low187 Ų187105.1 Ų105.187%0.87458%0.583SS**  trans-96.35.5179.6-67-172.4159.700113.7N160N160-E162 PolarHBondContact O-N 3.29Å; N160-E162 VanDerWaalsContact O-N 3.11Å
163A34.1Very low37.4Very low64 Ų64104.5 Ų104.553%0.52958%0.579SS.*SBendtrans-132.3137.5171.200000109.7Q165A163-Q165 PolarHBondContact O-N 3.04Å
164E33.8Very low36.4Very low190 Ų190107.5 Ų107.589%0.88861%0.605SS**  trans-41.9132.1169.8-71.2-179.414900109.8P166E164-P166 WeakPolarHBondContact O-CD 3.19Å
165Q33.7Very low35.8Very low170 Ų170105.4 Ų105.479%0.79460%0.598SS**  trans-37.8117.2174.8-81177.60.800109.2A163 L167A163-Q165 PolarHBondContact O-N 3.04Å; Q165-L167 PolarHBondContact O-N 3.15Å
166P29.4Very low35.2Very low83 Ų83111.4 Ų111.454%0.53963%0.63SS.*  trans-63.5109.9170.4-10.623.7000105.4A158 E164 T168A158-P166 HydrophobicContact CB-CG 4.5Å; E164-P166 WeakPolarHBondContact O-CD 3.19Å; P166-T168 WeakPolarHBondContact CB-O 3.08Å; P166-T168 PolarHBondContact O-N 3.26Å
167L30.6Very low34.6Very low170 Ų170113.5 Ų113.589%0.8965%0.647SS**SBendtrans-61.37.9173.2-83.2160.4000113Q165Q165-L167 PolarHBondContact O-N 3.15Å
168T31Very low34.2Very low110 Ų110121.5 Ų121.568%0.67566%0.661SS**SBendtrans-153126.617452.70000108.6P166P166-T168 WeakPolarHBondContact CB-O 3.08Å; P166-T168 PolarHBondContact O-N 3.26Å
169L35.8Very low33.8Very low106 Ų106129.7 Ų129.756%0.55568%0.68SS**  trans-47.6147.5165.5-86.9153.3000110.3R171 E391L169-R171 PolarHBondContact O-N 3.3Å; L169-E391 WeakPolarHBondContact CB-OE1 3.47Å; L169-E391 HydrophobicContact CD1-CG 3.48Å; L169-E391 VanDerWaalsContact CD1-CG 3.48Å; L169-E391 WeakPolarHBondContact CD1-OE1 3.39Å
170P32.8Very low33.1Very low80 Ų80131.9 Ų131.952%0.51970%0.701SS.*  trans-52118.3175-21.931.4000109.3C172P170-C172 PolarHBondContact O-N 3.05Å
171R25.9Very low32.8Very low206 Ų206136 Ų13678%0.77771%0.714SS**  trans-50.6106.8175.4-159.1178.3-168.1164.51.6107.6L169 N173L169-R171 PolarHBondContact O-N 3.3Å; R171-N173 PolarHBondContact O-N 3.49Å
172C31.9Very low32.9Very low56 Ų56142 Ų14238%0.37872%0.72SS.*  trans-59.396163.9-107.30000106.9P170 V387P170-C172 PolarHBondContact O-N 3.05Å; C172-V387 HydrophobicContact CB-CG2 3.24Å; C172-V387 WeakPolarHBondContact SG-CG2 3.5Å
173N27.9Very low32.6Very low118 Ų118136.3 Ų136.363%0.63171%0.711SS**  trans-81.3132.3167-72-27000107.3R171R171-N173 PolarHBondContact O-N 3.49Å
174S29.7Very low32.7Very low98 Ų98138.8 Ų138.869%0.68572%0.722SS**  trans93.8104.8179.1-157.20000112.4
175L34Very low32.7Very low102 Ų102135.7 Ų135.753%0.53472%0.716SS.*SBendcis-128.4101.334.7-64.7140.7000110.3
176D32.6Very low32.9Very low163 Ų163132.4 Ų132.487%0.87271%0.712SS**SBendtrans-175.6-6.5155.4-105.8-18.6000115.1R178D176-R178 PolarHBondContact O-N 3.05Å
177S33Very low33.3Very low101 Ų101135 Ų13571%0.70673%0.727SS**  trans-100.338.8-175.9-68.80000115.9
178R33.5Very low33.5Very low242 Ų242132 Ų13291%0.91373%0.726SS**  trans-133.863.7166.3-67.9-167.8-158.2-162.27.2113.2D176D176-R178 PolarHBondContact O-N 3.05Å
179R36.2Very low33.8Very low233 Ų233131.5 Ų131.588%0.87973%0.733SS**  trans-136.697.2147.3-78-167.8177.7-179.40.2109.8F181R179-F181 PolarHBondContact O-N 3.48Å
180S33.3Very low33.8Very low105 Ų105136.3 Ų136.373%0.73475%0.75SS**  trans-62.7116.3157.2-174.60000107.8
181F33.9Very low34Very low203 Ų203143.7 Ų143.789%0.8977%0.767SS**  trans-130.3110.7153.8-116.9-89.6000108R179R179-F181 PolarHBondContact O-N 3.48Å
182K37.6Very low34.6Very low195 Ų195142.9 Ų142.985%0.84877%0.772SS**  trans-68.2129169.1-68.2176.9175178.80108.4
183G34.5Very low34.7Very low68 Ų68145.4 Ų145.470%0.70179%0.79SS**  trans-153.6123.9166.600000108.6
184P36.4Very low34.9Very low115 Ų115147.3 Ų147.375%0.74780%0.801SS**  trans-91.3152.9-165.536-33.3000113.3
185T33.5Very low35Very low126 Ų126148.6 Ų148.677%0.77381%0.809SS**  trans53.2117.3143.456.70000119.1
186S37.5Very low35Very low101 Ų101148.6 Ų148.671%0.70682%0.818SS**  163.61509754.90000113
187T37.5Very low34.9Very low138 Ų138146.7 Ų146.785%0.84782%0.817SS**  trans84.2111.4156.866.80000119.3
188A35.7Very low34.8Very low106 Ų106147 Ų14788%0.87682%0.82SS**  trans-66142.1169.400000112.6
189A37.3Very low34.8Very low99 Ų99140.8 Ų140.882%0.81881%0.813SS**  trans-144.8112.7155.900000110
190K36Very low35Very low208 Ų208135.2 Ų135.290%0.90481%0.81SS**  trans-52.2128.4166.2-82.9167.6163.4174.20111.4
191R35.4Very low35.7Very low235 Ų235135.3 Ų135.389%0.88781%0.811SS**  trans-14899.7145.5-68-166.7177.2175.3-1.9106.9
192Q39.4Very low37.1Very low188 Ų188126.8 Ų126.888%0.87978%0.78SS**  60.6110.398.9-91.9176.6-14.200112.9
193S33Very low39.2Very low110 Ų110122.8 Ų122.877%0.76976%0.76SS**  trans-54.1124.4166.848.20000112
194D33Very low41.9Very low158 Ų158119.8 Ų119.885%0.84573%0.728SS**  trans-122.2108.2151.2-88.5-30000108.2S196D194-S196 PolarHBondContact O-N 3.42Å
195S30.9Very low44.5Very low124 Ų124117.6 Ų117.687%0.86771%0.714SS**  trans-73.5102.8165.950.30000108.9
196S34.2Very low47.3Very low103 Ų103114.5 Ų114.572%0.7270%0.7SS**  trans-120102160.155.20000108.6D194 S198D194-S196 PolarHBondContact O-N 3.42Å; S196-S198 VanDerWaalsContact C-N 3.3Å; S196-S198 PolarHBondContact O-N 2.87Å
197S30.3Very low50Low122 Ų122110.5 Ų110.585%0.85367%0.671SS**  trans-62.988167.350.70000109.2S199S197-S199 PolarHBondContact O-N 3.19Å; S197-S199 VanDerWaalsContact O-N 3.14Å
198S32.2Very low52.7Low109 Ų109104.8 Ų104.876%0.76264%0.635SS**  trans-75.997.1164.168.50000107.7S196 S200S196-S198 VanDerWaalsContact C-N 3.3Å; S196-S198 PolarHBondContact O-N 2.87Å; S198-S200 PolarHBondContact O-N 3.4Å
199S32.2Very low55.4Low110 Ų110102.2 Ų102.277%0.76961%0.614SS**  trans-49.6105.2165.949.40000109.4S197 S201S197-S199 PolarHBondContact O-N 3.19Å; S197-S199 VanDerWaalsContact O-N 3.14Å; S199-S201 PolarHBondContact O-N 3.01Å
200S41.8Very low58.2Low116 Ų116100.8 Ų100.881%0.81159%0.591SS**  trans-68.678.1164.856.40000107.5S198 G202S198-S200 PolarHBondContact O-N 3.4Å; S200-G202 PolarHBondContact O-N 3.29Å
201S47.7Very low60.9Low108 Ų10891 Ų9176%0.75555%0.548SS*.  trans-53.6114168.5-1750000107.2S199S199-S201 PolarHBondContact O-N 3.01Å
202G63Low63.6Low24 Ų2486.3 Ų86.325%0.24754%0.536CS..  trans-54.7147-173.600000111.8S200 P205 D396S200-G202 PolarHBondContact O-N 3.29Å; G202-P205 WeakPolarHBondContact O-CD 3.48Å; G202-D396 WeakPolarHBondContact CA-OD2 3.38Å
203R82.7Confident66.1Low111 Ų11182.5 Ų82.542%0.41952%0.519SS..Hα-helixtrans-77-26.3175.7-64.6-174.4-176.2-161.13.1111.7A206 L207 D368 D396R203-A206 PolarHBondContact O-N 2.95Å; R203-L207 PolarHBondContact O-N 3.26Å; R203-L207 VanDerWaalsContact O-N 3.15Å; R203-D368 IonicContact NH1-OD2 3.74Å; R203-D368 PolarHBondContact NH1-OD2 2.87Å; R203-D396 PolarHBondContact N-OD2 3.1Å
204V89.7Confident68.9Low5 Ų577.6 Ų77.63%0.0348%0.484CS..Hα-helixtrans-59.7-46.1-179.9163.70000113.2A206 L207 L208 M328 D396 F397V204-A206 VanDerWaalsContact C-N 3.31Å; V204-A206 PolarHBondContact O-N 3.21Å; V204-L207 WeakPolarHBondContact O-CB 3.09Å; V204-L207 PolarHBondContact O-N 2.98Å; V204-L207 VanDerWaalsContact O-N 3.11Å; V204-L208 HydrophobicContact CG1-CD1 3.71Å; V204-L208 HydrophobicContact CG1-CG 3.99Å; V204-L208 WeakPolarHBondContact O-CG 3.35Å; V204-L208 PolarHBondContact O-N 3.19Å; V204-M328 HydrophobicContact CG1-CG 4.1Å; V204-M328 HydrophobicContact CG2-CG 4.36Å; V204-D396 HydrophobicContact CB-CB 4.18Å; V204-D396 HydrophobicContact CG2-CB 3.61Å; V204-D396 PolarHBondContact N-OD2 3.19Å; V204-F397 HydrophobicContact CG2-CD1 3.77Å; V204-F397 HydrophobicContact CG2-CE1 3.64Å
205P91.5Very high71.5Confident69 Ų6973.3 Ų73.345%0.44846%0.461SS..Hα-helixtrans-54.4-41.3175.9-30.735000114.8G202 L208 A209G202-P205 WeakPolarHBondContact O-CD 3.48Å; P205-L208 PolarHBondContact O-N 3.3Å; P205-A209 PolarHBondContact O-N 3.48Å
206A92.2Very high74.2Confident60 Ų6073.6 Ų73.650%0.49646%0.457SS..Hα-helixtrans-67.2-42.7176.700000111.6R203 V204 L208 A209 Q210R203-A206 PolarHBondContact O-N 2.95Å; V204-A206 VanDerWaalsContact C-N 3.31Å; V204-A206 PolarHBondContact O-N 3.21Å; A206-L208 VanDerWaalsContact C-N 3.35Å; A206-L208 PolarHBondContact O-N 3.36Å; A206-A209 PolarHBondContact O-N 3.21Å; A206-Q210 WeakPolarHBondContact O-CG 3.25Å; A206-Q210 PolarHBondContact O-N 2.98Å; A206-Q210 VanDerWaalsContact O-N 3.08Å
207L93.8Very high76.6Confident18 Ų1871.1 Ų71.19%0.09444%0.443CS..Hα-helixtrans-63.1-39.4175.6-179.359000112.2R203 V204 Q210 L211 M328 Y339 L366 F397R203-L207 PolarHBondContact O-N 3.26Å; R203-L207 VanDerWaalsContact O-N 3.15Å; V204-L207 WeakPolarHBondContact O-CB 3.09Å; V204-L207 PolarHBondContact O-N 2.98Å; V204-L207 VanDerWaalsContact O-N 3.11Å; L207-Q210 PolarHBondContact O-N 3.25Å; L207-L211 HydrophobicContact CG-CD1 4.48Å; L207-L211 WeakPolarHBondContact O-CG 3.41Å; L207-L211 PolarHBondContact O-N 3.05Å; L207-M328 HydrophobicContact CD2-CE 3.92Å; L207-M328 HydrophobicContact CD2-SD 3.6Å; L207-M328 VanDerWaalsContact CD2-SD 3.6Å; L207-M328 HydrophobicContact CG-CE 4.45Å; L207-M328 HydrophobicContact CG-SD 3.91Å; L207-Y339 HydrophobicContact CD1-CD2 4.06Å; L207-Y339 HydrophobicContact CD1-CE2 4.32Å; L207-Y339 HydrophobicContact CD2-CD2 3.99Å; L207-Y339 HydrophobicContact CD2-CE2 3.79Å; L207-L366 HydrophobicContact CD1-CB 4.39Å; L207-L366 HydrophobicContact CD1-CD2 3.8Å; L207-L366 WeakPolarHBondContact CD1-O 3.3Å; L207-F397 HydrophobicContact CD2-CE1 4.24Å; L207-F397 HydrophobicContact CD2-CZ 3.98Å
208L94.1Very high78.2Confident17 Ų1770.5 Ų70.59%0.08944%0.439CS..Hα-helixtrans-63.6-41.8175.2-72.8174000112V204 P205 A206 Q210 L211 Q212 M328 H331 V334V204-L208 HydrophobicContact CG1-CD1 3.71Å; V204-L208 HydrophobicContact CG1-CG 3.99Å; V204-L208 WeakPolarHBondContact O-CG 3.35Å; V204-L208 PolarHBondContact O-N 3.19Å; P205-L208 PolarHBondContact O-N 3.3Å; A206-L208 VanDerWaalsContact C-N 3.35Å; A206-L208 PolarHBondContact O-N 3.36Å; L208-Q210 VanDerWaalsContact C-N 3.33Å; L208-Q210 PolarHBondContact O-N 2.84Å; L208-L211 PolarHBondContact O-N 3.07Å; L208-Q212 WeakPolarHBondContact O-CG 3.17Å; L208-Q212 PolarHBondContact O-N 3.22Å; L208-M328 HydrophobicContact CD2-CB 4.2Å; L208-M328 HydrophobicContact CD2-CG 4.42Å; L208-M328 HydrophobicContact CD2-SD 3.93Å; L208-M328 HydrophobicContact CG-SD 4.39Å; L208-H331 HydrophobicContact CD1-CB 3.98Å; L208-H331 VanDerWaalsContact CD1-CD2 3.42Å; L208-H331 WeakPolarHBondContact CD1-CD2 3.45Å; L208-H331 VanDerWaalsContact CD1-CG 3.46Å; L208-V334 HydrophobicContact CD2-CB 4.29Å; L208-V334 HydrophobicContact CD2-CG1 3.47Å; L208-V334 VanDerWaalsContact CD2-CG1 3.47Å; L208-V334 HydrophobicContact CD2-CG2 3.77Å
209A93.8Very high79.6Confident53 Ų5369 Ų6944%0.43843%0.428SS..Hα-helixtrans-61.5-41.917500000111.6P205 A206 Q212 E213P205-A209 PolarHBondContact O-N 3.48Å; A206-A209 PolarHBondContact O-N 3.21Å; A209-Q212 PolarHBondContact O-N 3.38Å; A209-E213 PolarHBondContact O-N 3.12Å
210Q94.2Very high81.1Confident68 Ų6871 Ų7132%0.31843%0.425SS..Hα-helixtrans-64.6-39.8175.2-68.3172.9-3900112.4A206 L207 L208 E213 L214 K365 L366A206-Q210 WeakPolarHBondContact O-CG 3.25Å; A206-Q210 PolarHBondContact O-N 2.98Å; A206-Q210 VanDerWaalsContact O-N 3.08Å; L207-Q210 PolarHBondContact O-N 3.25Å; L208-Q210 VanDerWaalsContact C-N 3.33Å; L208-Q210 PolarHBondContact O-N 2.84Å; Q210-E213 PolarHBondContact O-N 3.31Å; Q210-L214 WeakPolarHBondContact O-CB 3.38Å; Q210-L214 VanDerWaalsContact O-CG 3.32Å; Q210-L214 WeakPolarHBondContact O-CG 2.96Å; Q210-L214 PolarHBondContact O-N 3.12Å; Q210-K365 PolarHBondContact NE2-O 3.35Å; Q210-K365 PolarHBondContact OE1-O 3.09Å; Q210-L366 HydrophobicContact CB-CD2 4.21Å
211L93.6Very high82.2Confident3 Ų366.7 Ų66.72%0.01639%0.394CS..Hα-helixtrans-63.6-43.3175-79.5170.6000112L207 L208 L214 N215 M328 V334 K338 L366L207-L211 HydrophobicContact CG-CD1 4.48Å; L207-L211 WeakPolarHBondContact O-CG 3.41Å; L207-L211 PolarHBondContact O-N 3.05Å; L208-L211 PolarHBondContact O-N 3.07Å; L211-L214 PolarHBondContact O-N 2.9Å; L211-N215 WeakPolarHBondContact O-CB 3.22Å; L211-N215 PolarHBondContact O-N 3.46Å; L211-N215 PolarHBondContact O-ND2 2.95Å; L211-M328 HydrophobicContact CD1-CE 3.75Å; L211-M328 HydrophobicContact CD1-SD 3.89Å; L211-V334 HydrophobicContact CD1-CG1 4.49Å; L211-K338 HydrophobicContact CD2-CB 3.9Å; L211-L366 HydrophobicContact CD2-CD1 4.22Å; L211-L366 HydrophobicContact CD2-CD2 3.63Å; L211-L366 HydrophobicContact CG-CD2 3.79Å
212Q91.7Very high83Confident136 Ų13668.5 Ų68.564%0.63640%0.396SS*.Hα-helixtrans-62.3-45.6176.4-73.4174.9-9.100111.7L208 A209 L214 N215 V216L208-Q212 WeakPolarHBondContact O-CG 3.17Å; L208-Q212 PolarHBondContact O-N 3.22Å; A209-Q212 PolarHBondContact O-N 3.38Å; Q212-L214 VanDerWaalsContact C-N 3.33Å; Q212-L214 PolarHBondContact O-N 2.93Å; Q212-N215 PolarHBondContact O-N 2.67Å; Q212-V216 WeakPolarHBondContact O-CG2 3.4Å; Q212-V216 PolarHBondContact O-N 3Å
213E92.5Very high83.5Confident109 Ų10969.1 Ų69.151%0.50940%0.401SS..Hα-helixtrans-56.5-48.6175.3-175.8-163.113600111A209 Q210 V216 A217 K365A209-E213 PolarHBondContact O-N 3.12Å; Q210-E213 PolarHBondContact O-N 3.31Å; E213-V216 PolarHBondContact O-N 3.46Å; E213-A217 PolarHBondContact O-N 3.2Å; E213-K365 IonicContact OE1-NZ 2.85Å; E213-K365 PolarHBondContact OE1-NZ 3.04Å
214L92Very high83.6Confident7 Ų766.8 Ų66.84%0.03740%0.402CS..Hα-helixtrans-68.3-36-177.9-72.1176.3000113.1Q210 L211 Q212 V216 A217 K338 E362 K365 L366Q210-L214 WeakPolarHBondContact O-CB 3.38Å; Q210-L214 VanDerWaalsContact O-CG 3.32Å; Q210-L214 WeakPolarHBondContact O-CG 2.96Å; Q210-L214 PolarHBondContact O-N 3.12Å; L211-L214 PolarHBondContact O-N 2.9Å; Q212-L214 VanDerWaalsContact C-N 3.33Å; Q212-L214 PolarHBondContact O-N 2.93Å; L214-V216 VanDerWaalsContact C-N 3.26Å; L214-V216 PolarHBondContact O-N 3.08Å; L214-A217 PolarHBondContact O-N 2.93Å; L214-K338 HydrophobicContact CB-CD 3.47Å; L214-K338 VanDerWaalsContact CB-CD 3.47Å; L214-K338 HydrophobicContact CD1-CD 4.43Å; L214-K338 WeakPolarHBondContact O-CE 3.45Å; L214-E362 HydrophobicContact CD1-CB 4.28Å; L214-E362 HydrophobicContact CD1-CG 4.15Å; L214-E362 HydrophobicContact CD2-CG 4Å; L214-K365 HydrophobicContact CD1-CB 4.41Å; L214-K365 HydrophobicContact CD1-CD 4.4Å; L214-K365 HydrophobicContact CD2-CD 3.82Å; L214-K365 HydrophobicContact CG-CD 4.36Å; L214-L366 HydrophobicContact CD1-CD1 3.71Å; L214-L366 HydrophobicContact CD1-CD2 3.88Å; L214-L366 HydrophobicContact CD1-CG 3.68Å
215N87.8Confident83.4Confident67 Ų6771 Ų7136%0.35843%0.428SS..Hα-helixtrans-69-24.9178.6-73.9-20.2000112.8L211 Q212 K338L211-N215 WeakPolarHBondContact O-CB 3.22Å; L211-N215 PolarHBondContact O-N 3.46Å; L211-N215 PolarHBondContact O-ND2 2.95Å; Q212-N215 PolarHBondContact O-N 2.67Å; N215-K338 VanDerWaalsContact OD1-CD 3.31Å; N215-K338 WeakPolarHBondContact OD1-CD 3.32Å; N215-K338 WeakPolarHBondContact OD1-CE 3.35Å
216V87.9Confident83.2Confident131 Ų13173.9 Ų73.979%0.79444%0.436SS*.Hα-helixtrans-86.6-29.4174.6177.90000111.6Q212 E213 L214Q212-V216 WeakPolarHBondContact O-CG2 3.4Å; Q212-V216 PolarHBondContact O-N 3Å; E213-V216 PolarHBondContact O-N 3.46Å; L214-V216 VanDerWaalsContact C-N 3.26Å; L214-V216 PolarHBondContact O-N 3.08Å
217A83Confident83Confident50 Ų5075.7 Ų75.741%0.41343%0.434SS..SBendtrans-67.6135.6176.900000111.5E213 L214 S219E213-A217 PolarHBondContact O-N 3.2Å; L214-A217 PolarHBondContact O-N 2.93Å; A217-S219 PolarHBondContact O-N 3.46Å; A217-S219 VanDerWaalsContact O-N 3.16Å
218S64.3Low82.6Confident110 Ų11078 Ų7877%0.76944%0.443SS*.  trans-53123172.1-58.50000109.8E220S218-E220 PolarHBondContact O-N 3.41Å
219S61.7Low82.3Confident76 Ų7680.1 Ų80.153%0.53145%0.454SS..  trans-76.1-4.9-170.9-670000114.1A217 P221 K338A217-S219 PolarHBondContact O-N 3.46Å; A217-S219 VanDerWaalsContact O-N 3.16Å; S219-P221 WeakPolarHBondContact O-CD 3.17Å; S219-K338 PolarHBondContact OG-NZ 3.02Å
220E63.6Low82Confident153 Ų15385.1 Ų85.172%0.71546%0.462SS*.SBendtrans-72.8126.1-179.9-66.1-139.4157.900111.1S218 N222S218-E220 PolarHBondContact O-N 3.41Å; E220-N222 VanDerWaalsContact C-N 3.32Å; E220-N222 PolarHBondContact O-N 2.88Å
221P65Low81.8Confident26 Ų2683.6 Ų83.617%0.16946%0.457CS..  trans-68.992.1175.230.1-36.2000109.5S219 G223 K228 D357 N359S219-P221 WeakPolarHBondContact O-CD 3.17Å; P221-G223 PolarHBondContact O-N 3.45Å; P221-K228 WeakPolarHBondContact O-CE 3.46Å; P221-D357 WeakPolarHBondContact CD-O 3.36Å; P221-D357 WeakPolarHBondContact CG-O 3.39Å; P221-N359 HydrophobicContact CB-CB 4.26Å
222N64.7Low81.6Confident146 Ų14683.5 Ų83.578%0.78146%0.456SS*.  trans-68.8115.1169.3-70.8-26000108.8E220E220-N222 VanDerWaalsContact C-N 3.32Å; E220-N222 PolarHBondContact O-N 2.88Å
223G73.6Confident81.4Confident36 Ų3680 Ų8037%0.37144%0.442SS..SBendtrans161.9156.4177.400000112.6P221 E227P221-G223 PolarHBondContact O-N 3.45Å; G223-E227 WeakPolarHBondContact CA-OE2 3.37Å
224S85.5Confident81.2Confident62 Ų6276.4 Ų76.443%0.43443%0.429SS..  trans-66.3159.9174.173.20000110.8E226 E227 K228S224-E226 PolarHBondContact O-N 2.81Å; S224-E227 WeakPolarHBondContact O-CB 3.42Å; S224-E227 PolarHBondContact O-N 3.44Å; S224-E227 PolarHBondContact OG-N 2.88Å; S224-K228 PolarHBondContact O-N 3.49Å
225T84.8Confident81Confident95 Ų9576.1 Ų76.158%0.58343%0.427SS*.Hα-helixtrans-54.2-36.9174.6-51.80000111.9K228 I229T225-K228 PolarHBondContact O-N 3.19Å; T225-I229 HydrophobicContact CG2-CD1 4.12Å; T225-I229 WeakPolarHBondContact O-CD1 3.43Å; T225-I229 VanDerWaalsContact O-CG1 3.24Å; T225-I229 WeakPolarHBondContact O-CG1 3.45Å; T225-I229 PolarHBondContact O-N 3.46Å
226E87.7Confident81Confident129 Ų12973.1 Ų73.160%0.60341%0.411SS*.Hα-helixtrans-67.4-36.3176.5-65.1-177.7175.800113.2S224 I229 R230S224-E226 PolarHBondContact O-N 2.81Å; E226-I229 PolarHBondContact O-N 3.18Å; E226-R230 WeakPolarHBondContact O-CG 3.23Å; E226-R230 PolarHBondContact O-N 3.28Å; E226-R230 PolarHBondContact O-NE 3.03Å; E226-R230 IonicContact OE2-NH2 3.87Å
227E87.6Confident80.4Confident98 Ų9872.6 Ų72.646%0.45840%0.404SS..Hα-helixtrans-67.5-44.7175.7-175172-164.500110.7G223 S224 I229 R230 V231G223-E227 WeakPolarHBondContact CA-OE2 3.37Å; S224-E227 WeakPolarHBondContact O-CB 3.42Å; S224-E227 PolarHBondContact O-N 3.44Å; S224-E227 PolarHBondContact OG-N 2.88Å; E227-I229 VanDerWaalsContact C-N 3.29Å; E227-I229 PolarHBondContact O-N 2.63Å; E227-R230 WeakPolarHBondContact O-CB 3.32Å; E227-R230 PolarHBondContact O-N 3.03Å; E227-R230 VanDerWaalsContact O-N 3.08Å; E227-V231 WeakPolarHBondContact O-CG2 3.41Å; E227-V231 PolarHBondContact O-N 3.46Å
228K86.4Confident79.4Confident66 Ų6674.8 Ų74.829%0.28741%0.406SS..Hα-helixtrans-57.8-41.5173.7-64-176-178.7-1680112P221 S224 T225 F232 D356P221-K228 WeakPolarHBondContact O-CE 3.46Å; S224-K228 PolarHBondContact O-N 3.49Å; T225-K228 PolarHBondContact O-N 3.19Å; K228-F232 WeakPolarHBondContact O-CB 3.44Å; K228-F232 PolarHBondContact O-N 2.73Å; K228-D356 PolarHBondContact NZ-O 3.23Å
229I86.8Confident79.2Confident62 Ų6270.3 Ų70.332%0.31837%0.373SS..Hα-helixtrans-61.9-46.3174.1-70.4158.8000111.1T225 E226 E227 V231 F232 N233T225-I229 HydrophobicContact CG2-CD1 4.12Å; T225-I229 WeakPolarHBondContact O-CD1 3.43Å; T225-I229 VanDerWaalsContact O-CG1 3.24Å; T225-I229 WeakPolarHBondContact O-CG1 3.45Å; T225-I229 PolarHBondContact O-N 3.46Å; E226-I229 PolarHBondContact O-N 3.18Å; E227-I229 VanDerWaalsContact C-N 3.29Å; E227-I229 PolarHBondContact O-N 2.63Å; I229-V231 PolarHBondContact O-N 3.38Å; I229-F232 PolarHBondContact O-N 3.02Å; I229-N233 VanDerWaalsContact O-CG 3.31Å; I229-N233 PolarHBondContact O-N 2.68Å; I229-N233 PolarHBondContact O-ND2 3.08Å
230R88.2Confident78.6Confident158 Ų15870.7 Ų70.760%0.59638%0.375SS*.Hα-helixtrans-60.4-45.5178.9-80.4-177.7-96.1-163.6-9.5111.8E226 E227 N233 S234E226-R230 WeakPolarHBondContact O-CG 3.23Å; E226-R230 PolarHBondContact O-N 3.28Å; E226-R230 PolarHBondContact O-NE 3.03Å; E226-R230 IonicContact OE2-NH2 3.87Å; E227-R230 WeakPolarHBondContact O-CB 3.32Å; E227-R230 PolarHBondContact O-N 3.03Å; E227-R230 VanDerWaalsContact O-N 3.08Å; R230-N233 PolarHBondContact O-N 2.65Å; R230-S234 WeakPolarHBondContact O-CB 3.37Å; R230-S234 PolarHBondContact O-N 3.48Å
231V88.9Confident77.9Confident36 Ų3668.7 Ų68.722%0.21837%0.369CS..Hα-helixtrans-65-42.4177.5175.90000111.3E227 I229 N233 S234 V235 A361E227-V231 WeakPolarHBondContact O-CG2 3.41Å; E227-V231 PolarHBondContact O-N 3.46Å; I229-V231 PolarHBondContact O-N 3.38Å; V231-N233 PolarHBondContact O-N 2.7Å; V231-S234 PolarHBondContact O-N 3.16Å; V231-S234 PolarHBondContact O-OG 3.26Å; V231-V235 WeakPolarHBondContact O-CG2 3.21Å; V231-V235 PolarHBondContact O-N 3.43Å; V231-A361 HydrophobicContact CG1-CB 3.89Å; V231-A361 VanDerWaalsContact CG1-N 3.25Å
232F90.3Very high77.2Confident0 Ų070.7 Ų70.70%038%0.382CS..Hα-helixtrans-57.8-46.9175.9174.8-105.1000112.1K228 I229 S234 F274 T284 S349 R354 Y360K228-F232 WeakPolarHBondContact O-CB 3.44Å; K228-F232 PolarHBondContact O-N 2.73Å; I229-F232 PolarHBondContact O-N 3.02Å; F232-S234 VanDerWaalsContact C-N 3.35Å; F232-S234 PolarHBondContact O-N 3.41Å; F232-F274 AromaticContact CD1-CE1 3.78Å; F232-F274 HydrophobicContact CD1-CE1 3.78Å; F232-F274 AromaticContact CD1-CZ 3.99Å; F232-F274 HydrophobicContact CD1-CZ 3.99Å; F232-F274 AromaticContact CE1-CE1 3.4Å; F232-F274 HydrophobicContact CE1-CE1 3.4Å; F232-F274 VanDerWaalsContact CE1-CE1 3.4Å; F232-F274 AromaticContact CE1-CZ 3.32Å; F232-F274 HydrophobicContact CE1-CZ 3.32Å; F232-F274 HydrophobicContact CZ-CE1 4.22Å; F232-F274 AromaticContact CZ-CZ 3.66Å; F232-F274 HydrophobicContact CZ-CZ 3.66Å; F232-T284 HydrophobicContact CD1-CG2 4.48Å; F232-T284 HydrophobicContact CE1-CG2 3.57Å; F232-T284 HydrophobicContact CZ-CG2 3.82Å; F232-S349 VanDerWaalsContact CE2-CB 3.41Å; F232-R354 HydrophobicContact CD1-CG 4.46Å; F232-R354 HydrophobicContact CD2-CB 4.08Å; F232-R354 HydrophobicContact CD2-CG 3.53Å; F232-R354 HydrophobicContact CE1-CB 4.29Å; F232-R354 HydrophobicContact CE2-CB 3.6Å; F232-R354 HydrophobicContact CE2-CG 3.6Å; F232-R354 HydrophobicContact CG-CG 3.97Å; F232-R354 HydrophobicContact CZ-CB 3.73Å; F232-R354 HydrophobicContact CZ-CG 4.12Å; F232-Y360 HydrophobicContact CB-CD2 4.38Å; F232-Y360 HydrophobicContact CB-CG 4.4Å; F232-Y360 AromaticContact CD2-CD1 3.73Å; F232-Y360 HydrophobicContact CD2-CD1 3.73Å; F232-Y360 AromaticContact CD2-CD2 3.82Å; F232-Y360 HydrophobicContact CD2-CD2 3.82Å; F232-Y360 AromaticContact CD2-CE1 3.59Å; F232-Y360 HydrophobicContact CD2-CE1 3.59Å; F232-Y360 AromaticContact CD2-CE2 3.7Å; F232-Y360 HydrophobicContact CD2-CE2 3.7Å; F232-Y360 AromaticContact CD2-CG 3.85Å; F232-Y360 HydrophobicContact CD2-CG 3.85Å; F232-Y360 AromaticContact CD2-CZ 3.59Å; F232-Y360 HydrophobicContact CE2-CD1 4.32Å; F232-Y360 AromaticContact CE2-CE1 3.75Å; F232-Y360 HydrophobicContact CE2-CE1 3.75Å; F232-Y360 HydrophobicContact CE2-CE2 4.22Å; F232-Y360 AromaticContact CE2-CZ 3.71Å
233N87.2Confident76.7Confident62 Ų6265.3 Ų65.333%0.33235%0.353SS..Hα-helixtrans-65.3-39.4178-65.6-16.4000111.4I229 R230 V231 V235 H236 F274I229-N233 VanDerWaalsContact O-CG 3.31Å; I229-N233 PolarHBondContact O-N 2.68Å; I229-N233 PolarHBondContact O-ND2 3.08Å; R230-N233 PolarHBondContact O-N 2.65Å; V231-N233 PolarHBondContact O-N 2.7Å; N233-V235 PolarHBondContact O-N 3.11Å; N233-H236 PolarHBondContact O-N 3.15Å; N233-F274 HydrophobicContact CB-CD1 4.38Å; N233-F274 VanDerWaalsContact OD1-CE1 3.28Å; N233-F274 WeakPolarHBondContact OD1-CE1 3.5Å
234S87.9Confident75.5Confident35 Ų3569.3 Ų69.325%0.24536%0.362CS..Hα-helixtrans-69.8-15.9-175.175.80000114.8R230 V231 F232 H236 D237R230-S234 WeakPolarHBondContact O-CB 3.37Å; R230-S234 PolarHBondContact O-N 3.48Å; V231-S234 PolarHBondContact O-N 3.16Å; V231-S234 PolarHBondContact O-OG 3.26Å; F232-S234 VanDerWaalsContact C-N 3.35Å; F232-S234 PolarHBondContact O-N 3.41Å; S234-H236 PolarHBondContact O-N 3.5Å; S234-D237 WeakPolarHBondContact CA-OD2 3.35Å; S234-D237 WeakPolarHBondContact CB-OD2 3.24Å; S234-D237 PolarHBondContact O-N 3.05Å; S234-D237 VanDerWaalsContact O-N 3.15Å
235V89.2Confident73.2Confident0 Ų072.4 Ų72.40%037%0.373CS..THydrogen-bonded Turntrans-54.2-26.41721720000112.2V231 N233 Q239 Y346 Y360 V363 N364V231-V235 WeakPolarHBondContact O-CG2 3.21Å; V231-V235 PolarHBondContact O-N 3.43Å; N233-V235 PolarHBondContact O-N 3.11Å; V235-Q239 PolarHBondContact O-NE2 2.65Å; V235-Q239 VanDerWaalsContact O-NE2 3.12Å; V235-Y346 HydrophobicContact CG1-CD2 3.53Å; V235-Y346 HydrophobicContact CG1-CE2 3.9Å; V235-Y360 HydrophobicContact CG2-CD1 4.16Å; V235-Y360 HydrophobicContact CG2-CG 4.49Å; V235-Y360 WeakPolarHBondContact CG2-O 3.23Å; V235-V363 HydrophobicContact CG1-CB 4.2Å; V235-V363 HydrophobicContact CG1-CG1 3.62Å; V235-V363 HydrophobicContact CG2-CB 4.25Å; V235-N364 WeakPolarHBondContact CA-OD1 3.35Å
236H86.7Confident70.9Confident5 Ų572.6 Ų72.62%0.02338%0.375CS..THydrogen-bonded Turntrans-96.6-14.8-175.6-58.1-78.1000114.1N233 S234 E238 Q239 F274 Y346 S349N233-H236 PolarHBondContact O-N 3.15Å; S234-H236 PolarHBondContact O-N 3.5Å; H236-E238 VanDerWaalsContact C-N 3.34Å; H236-E238 PolarHBondContact O-N 3.37Å; H236-Q239 PolarHBondContact O-N 2.94Å; H236-F274 HydrophobicContact CB-CD2 4.03Å; H236-F274 HydrophobicContact CB-CG 4.4Å; H236-F274 AromaticContact CD2-CD2 3.29Å; H236-F274 WeakPolarHBondContact CD2-CD2 3.18Å; H236-F274 AromaticContact CD2-CE2 3.06Å; H236-F274 WeakPolarHBondContact CD2-CE2 3.36Å; H236-F274 AromaticContact CD2-CG 3.97Å; H236-F274 AromaticContact CD2-CZ 3.54Å; H236-F274 AromaticContact CE1-CE2 3.57Å; H236-F274 AromaticContact CG-CD2 3.44Å; H236-F274 VanDerWaalsContact CG-CD2 3.44Å; H236-F274 AromaticContact CG-CE2 3.64Å; H236-F274 AromaticContact ND1-CD2 3.92Å; H236-F274 AromaticContact ND1-CE2 3.91Å; H236-F274 AromaticContact NE2-CD2 3.74Å; H236-F274 AromaticContact NE2-CE2 3.05Å; H236-F274 WeakPolarHBondContact NE2-CE2 3.34Å; H236-F274 AromaticContact NE2-CZ 3.55Å; H236-Y346 AromaticContact CE1-CE2 3.89Å; H236-S349 PolarHBondContact CE1-OG 3.42Å; H236-S349 PolarHBondContact NE2-OG 3.23Å
237D76.2Confident68.4Low119 Ų11975.3 Ų75.364%0.63638%0.38SS*.THydrogen-bonded Turntrans-62.7-35.4-173.8-69.5-15.5000113.4S234 Q239S234-D237 WeakPolarHBondContact CA-OD2 3.35Å; S234-D237 WeakPolarHBondContact CB-OD2 3.24Å; S234-D237 PolarHBondContact O-N 3.05Å; S234-D237 VanDerWaalsContact O-N 3.15Å; D237-Q239 PolarHBondContact O-N 3.33Å
238E60.7Low65.7Low97 Ų9776.6 Ų76.645%0.45339%0.387SS..THydrogen-bonded Turntrans-76.1-4.4-175.4-62.4-178.6150.300113.7H236 S240 R369 K372H236-E238 VanDerWaalsContact C-N 3.34Å; H236-E238 PolarHBondContact O-N 3.37Å; E238-S240 PolarHBondContact O-N 3.38Å; E238-R369 PolarHBondContact O-NE 2.77Å; E238-K372 IonicContact OE2-NZ 3.46Å; E238-K372 PolarHBondContact OE2-NZ 2.87Å
239Q60.5Low63Low16 Ų1680 Ų808%0.07541%0.409CS..  trans-101.157.9-171.9-63.1165.534.800111.3V235 H236 D237 L241 Y346 K372 K376V235-Q239 PolarHBondContact O-NE2 2.65Å; V235-Q239 VanDerWaalsContact O-NE2 3.12Å; H236-Q239 PolarHBondContact O-N 2.94Å; D237-Q239 PolarHBondContact O-N 3.33Å; Q239-L241 PolarHBondContact O-N 3.45Å; Q239-Y346 VanDerWaalsContact NE2-CE2 3.27Å; Q239-Y346 VanDerWaalsContact NE2-CZ 3.29Å; Q239-Y346 PolarHBondContact NE2-OH 2.89Å; Q239-Y346 PolarHBondContact OE1-OH 2.85Å; Q239-K372 HydrophobicContact CG-CB 4.23Å; Q239-K376 VanDerWaalsContact OE1-CD 3.3Å
240S48.2Very low60.2Low83 Ų8379.7 Ų79.758%0.5842%0.42SS*.  trans-82.926.8-177.839.70000114.8E238 P242 R369E238-S240 PolarHBondContact O-N 3.38Å; S240-P242 WeakPolarHBondContact O-CD 3.26Å; S240-R369 PolarHBondContact OG-NH2 3.36Å
241L49.9Very low57.2Low112 Ų11276.5 Ų76.559%0.58644%0.437SS*.  trans-92.3107.2160.1-74.1173.6000106.8Q239 L243Q239-L241 PolarHBondContact O-N 3.45Å; L241-L243 VanDerWaalsContact C-N 3.31Å; L241-L243 PolarHBondContact O-N 3.07Å
242P50.1Low54.3Low67 Ų6776.7 Ų76.744%0.43545%0.446SS..  trans-63.6103.8170.4-3.418.5000105.2S240 E244 N245S240-P242 WeakPolarHBondContact O-CD 3.26Å; P242-E244 PolarHBondContact O-N 2.99Å; P242-E244 VanDerWaalsContact O-N 3.1Å; P242-N245 HydrophobicContact CB-CB 4.09Å; P242-N245 HydrophobicContact CG-CB 4.27Å; P242-N245 PolarHBondContact O-N 3.32Å
243L55.3Low51.7Low33 Ų3380.7 Ų80.717%0.17347%0.474CS..G310 helixtrans-48.8-37.5168.1-83.8128.1000107.7L241 N245 T246 K376 T377 L381 R384L241-L243 VanDerWaalsContact C-N 3.31Å; L241-L243 PolarHBondContact O-N 3.07Å; L243-N245 VanDerWaalsContact C-N 3.26Å; L243-N245 PolarHBondContact O-N 3.23Å; L243-N245 VanDerWaalsContact O-N 3.14Å; L243-T246 PolarHBondContact O-N 3.32Å; L243-K376 HydrophobicContact CD1-CD 3.95Å; L243-K376 HydrophobicContact CD1-CG 3.97Å; L243-T377 HydrophobicContact CD2-CG2 4.24Å; L243-L381 HydrophobicContact CB-CD1 3.84Å; L243-L381 HydrophobicContact CD2-CB 4.39Å; L243-L381 HydrophobicContact CD2-CD1 3.87Å; L243-L381 HydrophobicContact CG-CD1 4.35Å; L243-R384 PolarHBondContact O-NH1 2.96Å
244E47.1Very low49.6Very low120 Ų12084 Ų8456%0.56149%0.488SS*.G310 helixtrans-56.3-26.7177.5-61.6-174.115700115.8P242P242-E244 PolarHBondContact O-N 2.99Å; P242-E244 VanDerWaalsContact O-N 3.1Å
245N37.7Very low47.8Very low127 Ų12785.6 Ų85.668%0.67950%0.497SS*.G310 helixtrans-95.3-2.5-175.1-78.8-13.5000115.5P242 L243 R247P242-N245 HydrophobicContact CB-CB 4.09Å; P242-N245 HydrophobicContact CG-CB 4.27Å; P242-N245 PolarHBondContact O-N 3.32Å; L243-N245 VanDerWaalsContact C-N 3.26Å; L243-N245 PolarHBondContact O-N 3.23Å; L243-N245 VanDerWaalsContact O-N 3.14Å; N245-R247 PolarHBondContact O-N 3.21Å
246T36.9Very low46.4Very low100 Ų10092.4 Ų92.461%0.61353%0.534SS*.  trans-81.167.5161-36.30000107.8L243 M248L243-T246 PolarHBondContact O-N 3.32Å; T246-M248 PolarHBondContact O-N 3.26Å
247R33.8Very low46Very low186 Ų18693.8 Ų93.870%0.70254%0.541SS*.  trans-54134.2153-76.6-175.8175.9178-0.2105.2N245 N249N245-R247 PolarHBondContact O-N 3.21Å; R247-N249 HydrophobicContact CB-CB 4.16Å; R247-N249 WeakPolarHBondContact CB-OD1 3.38Å; R247-N249 PolarHBondContact O-N 3.3Å
248M32.7Very low46.6Very low125 Ų12589.4 Ų89.462%0.61652%0.524SS*.  trans-59.274.2157.3-68.1-90-102.600106.5T246 G250T246-M248 PolarHBondContact O-N 3.26Å; M248-G250 VanDerWaalsContact C-N 3.29Å; M248-G250 CarbonylContact C-O 3.34Å
249N28.7Very low48.1Very low138 Ų13885 Ų8574%0.73850%0.504SS*.  trans-94.16.8-179.4-98.85.5000110.5R247R247-N249 HydrophobicContact CB-CB 4.16Å; R247-N249 WeakPolarHBondContact CB-OD1 3.38Å; R247-N249 PolarHBondContact O-N 3.3Å
250G27.4Very low49.7Very low55 Ų5586.7 Ų86.757%0.56753%0.526SS*.SBendtrans-89.3130.3140.600000106.9M248 G252M248-G250 VanDerWaalsContact C-N 3.29Å; M248-G250 CarbonylContact C-O 3.34Å; G250-G252 PolarHBondContact O-N 3.41Å
251G25.3Very low51.9Low91 Ų9184.7 Ų84.794%0.93851%0.514SS*.  trans-64.149.917300000113.8
252G29Very low54.1Low40 Ų4079.6 Ų79.641%0.41249%0.487SS..  trans-77.9116.8164.800000107.3G250 E254G250-G252 PolarHBondContact O-N 3.41Å; G252-E254 PolarHBondContact O-N 2.89Å
253S35.8Very low56.3Low84 Ų8476.6 Ų76.659%0.58747%0.467SS*.  trans-30.5123.3170-165.50000110.2C255S253-C255 PolarHBondContact O-N 2.89Å; S253-C255 VanDerWaalsContact O-N 3.1Å
254E43.2Very low58.1Low132 Ų13276.2 Ų76.262%0.61747%0.471SS*.  trans-43.3127.5150.4-80-175.6145.200105.3G252 D256G252-E254 PolarHBondContact O-N 2.89Å; E254-D256 VanDerWaalsContact C-N 3.31Å; E254-D256 PolarHBondContact O-N 2.85Å
255C50.5Low60.3Low67 Ų6772.3 Ų72.345%0.45346%0.46SS..  trans-55.8108.1174-141.90000104.6S253 L257S253-C255 PolarHBondContact O-N 2.89Å; S253-C255 VanDerWaalsContact O-N 3.1Å; C255-L257 HydrophobicContact CB-CG 4.31Å; C255-L257 PolarHBondContact O-N 3.22Å
256D58.4Low62.9Low143 Ų14367.8 Ų67.877%0.76544%0.435SS*.  trans-76.866.7-172.5-173.316.2000108.2E254 G258E254-D256 VanDerWaalsContact C-N 3.31Å; E254-D256 PolarHBondContact O-N 2.85Å; D256-G258 PolarHBondContact O-N 3.25Å; D256-G258 PolarHBondContact OD1-N 2.98Å
257L79.9Confident65.5Low35 Ų3569.5 Ų69.518%0.18344%0.441CS..  trans-72.81.6169.8-64175.2000110.5H56 E58 I61 C255 C259H56-L257 HydrophobicContact CB-CD1 4.27Å; E58-L257 HydrophobicContact CB-CD1 4.13Å; E58-L257 HydrophobicContact CB-CD2 4.22Å; E58-L257 HydrophobicContact CG-CD2 3.99Å; I61-L257 HydrophobicContact CD1-CB 4.41Å; I61-L257 HydrophobicContact CD1-CD1 4.17Å; C255-L257 HydrophobicContact CB-CG 4.31Å; C255-L257 PolarHBondContact O-N 3.22Å; L257-C259 PolarHBondContact O-N 3.12Å
258G87.6Confident68.3Low26 Ų2663 Ų6327%0.26842%0.417SS..  trans62.123.8-17400000113.2D256 G260 A261 F262D256-G258 PolarHBondContact O-N 3.25Å; D256-G258 PolarHBondContact OD1-N 2.98Å; G258-G260 PolarHBondContact O-N 3.49Å; G258-G260 VanDerWaalsContact O-N 3.14Å; G258-A261 WeakPolarHBondContact O-CB 3.25Å; G258-A261 PolarHBondContact O-N 3.28Å; G258-F262 WeakPolarHBondContact O-CD2 3.34Å
259C92.8Very high71.2Confident6 Ų659.5 Ų59.54%0.04140%0.397CS..Hα-helixtrans-54-37.3-176.3-67.60000112.4C53 H56 L257 A261 F262 T263 L266C53-C259 HydrophobicContact CB-CB 3.93Å; H56-C259 PolarHBondContact ND1-SG 3.06Å; L257-C259 PolarHBondContact O-N 3.12Å; C259-A261 PolarHBondContact O-N 3.41Å; C259-F262 PolarHBondContact O-N 2.94Å; C259-T263 PolarHBondContact O-N 3.45Å; C259-L266 HydrophobicContact CB-CD1 4.27Å; C259-L266 HydrophobicContact CB-CD2 4.41Å
260G92.8Very high74.3Confident51 Ų5153.3 Ų53.353%0.52636%0.363SS..Hα-helixtrans-64.8-17178.700000113.8G258 F262G258-G260 PolarHBondContact O-N 3.49Å; G258-G260 VanDerWaalsContact O-N 3.14Å; G260-F262 VanDerWaalsContact C-N 3.33Å
261A95.2Very high77.3Confident40 Ų4053 Ų5333%0.33135%0.347SS..Hα-helixtrans-71.9-28.5171.100000111.8G80 L81 G258 C259G80-A261 CarbonylContact C-O 3.35Å; G80-A261 WeakPolarHBondContact CA-O 3.47Å; L81-A261 PolarHBondContact N-O 3.03Å; G258-A261 WeakPolarHBondContact O-CB 3.25Å; G258-A261 PolarHBondContact O-N 3.28Å; C259-A261 PolarHBondContact O-N 3.41Å
262F96.8Very high80.2Confident6 Ų649.8 Ų49.83%0.02631%0.308CS..Hα-helixtrans-106.1-16.3-171.4-57.9-72.3000114.4Y46 L49 M50 C53 L78 G258 C259 G260Y46-F262 HydrophobicContact CE2-CD1 4.43Å; L49-F262 HydrophobicContact CD2-CD1 3.74Å; L49-F262 HydrophobicContact CD2-CE1 3.83Å; L49-F262 HydrophobicContact CD2-CG 4.22Å; L49-F262 HydrophobicContact CD2-CZ 4.37Å; L49-F262 HydrophobicContact CG-CD1 4.24Å; L49-F262 HydrophobicContact CG-CG 4.25Å; M50-F262 WeakPolarHBondContact CG-O 3.25Å; C53-F262 HydrophobicContact CB-CB 4.35Å; L78-F262 HydrophobicContact CD2-CE1 4.49Å; L78-F262 VanDerWaalsContact O-CZ 3.29Å; L78-F262 WeakPolarHBondContact O-CZ 3.37Å; G258-F262 WeakPolarHBondContact O-CD2 3.34Å; C259-F262 PolarHBondContact O-N 2.94Å; G260-F262 VanDerWaalsContact C-N 3.33Å
263T95.7Very high82.9Confident3 Ų348 Ų482%0.01829%0.289CS..SBendtrans-150.2138.9177.4177.20000110.7C53 R54 D92 C259 L266C53-T263 HydrophobicContact CB-CG2 3.61Å; R54-T263 WeakPolarHBondContact CD-OG1 3.22Å; R54-T263 PolarHBondContact NH1-OG1 3.26Å; D92-T263 VanDerWaalsContact OD1-CA 3.25Å; D92-T263 WeakPolarHBondContact OD1-CA 3.4Å; D92-T263 VanDerWaalsContact OD1-CB 3.23Å; D92-T263 WeakPolarHBondContact OD1-CB 3.29Å; D92-T263 PolarHBondContact OD1-OG1 2.7Å; C259-T263 PolarHBondContact O-N 3.45Å; T263-L266 HydrophobicContact CG2-CD2 3.74Å
264G92.5Very high85.1Confident25 Ų2545.1 Ų45.126%0.25827%0.266SS..SBendtrans-85.2168.4-179.400000113.3R54 D92 L266R54-G264 PolarHBondContact NH1-O 3.42Å; D92-G264 PolarHBondContact OD1-N 2.83Å; D92-G264 WeakPolarHBondContact OD2-CA 3.05Å; D92-G264 PolarHBondContact OD2-N 2.8Å; G264-L266 PolarHBondContact O-N 3.08Å
265A92.8Very high86.6Confident38 Ų3844.8 Ų44.831%0.31427%0.268SS..  trans48.256.5175.600000114.1R54 N267 Y268R54-A265 PolarHBondContact NH1-O 3.1Å; R54-A265 PolarHBondContact NH2-O 3.46Å; A265-N267 WeakPolarHBondContact CA-OD1 3.06Å; A265-N267 PolarHBondContact O-N 3.04Å; A265-N267 VanDerWaalsContact O-N 3.14Å; A265-Y268 WeakPolarHBondContact O-CB 3.3Å; A265-Y268 PolarHBondContact O-N 3.02Å
266L92.3Very high87.9Confident32 Ų3242.4 Ų42.417%0.16825%0.25CC..THydrogen-bonded Turntrans-62.5-15.4175.8-70.6176.6000113.7C259 T263 G264 Y268 R269C259-L266 HydrophobicContact CB-CD1 4.27Å; C259-L266 HydrophobicContact CB-CD2 4.41Å; T263-L266 HydrophobicContact CG2-CD2 3.74Å; G264-L266 PolarHBondContact O-N 3.08Å; L266-Y268 VanDerWaalsContact C-N 3.32Å; L266-R269 PolarHBondContact O-NE 2.9Å; L266-R269 VanDerWaalsContact O-NE 3.13Å
267N91.8Very high88.1Confident137 Ų13740 Ų4073%0.73325%0.249SC*.THydrogen-bonded Turntrans-75.2-19.4170.164.5-39.4000113.1A265 R269A265-N267 WeakPolarHBondContact CA-OD1 3.06Å; A265-N267 PolarHBondContact O-N 3.04Å; A265-N267 VanDerWaalsContact O-N 3.14Å; N267-R269 PolarHBondContact O-N 3.18Å; N267-R269 VanDerWaalsContact O-N 3.12Å
268Y94.1Very high87.5Confident49 Ų4944 Ų4419%0.19227%0.271CS..  trans-69.4106.2172.4-170.6-79.8000109.2R54 R96 H100 R101 L104 A265 L266R54-Y268 PolarHBondContact NH2-O 3.41Å; R96-Y268 HydrophobicContact CB-CD1 4.01Å; R96-Y268 HydrophobicContact CB-CE1 4.5Å; R96-Y268 HydrophobicContact CB-CG 4.48Å; R96-Y268 HydrophobicContact CG-CD1 4.16Å; R96-Y268 HydrophobicContact CG-CE1 4.4Å; R96-Y268 HydrophobicContact CG-CG 4.4Å; R96-Y268 WeakPolarHBondContact O-CE1 3.49Å; H100-Y268 HydrophobicContact CB-CD1 3.96Å; H100-Y268 HydrophobicContact CB-CE1 3.93Å; H100-Y268 PolarHBondContact CD2-O 3.32Å; H100-Y268 PolarHBondContact NE2-O 3.48Å; R101-Y268 HydrophobicContact CB-CE1 4.35Å; R101-Y268 WeakPolarHBondContact CD-OH 3.37Å; R101-Y268 HydrophobicContact CG-CE1 4.02Å; L104-Y268 WeakPolarHBondContact CD1-OH 3.46Å; A265-Y268 WeakPolarHBondContact O-CB 3.3Å; A265-Y268 PolarHBondContact O-N 3.02Å; L266-Y268 VanDerWaalsContact C-N 3.32Å
269R93.4Very high86.7Confident51 Ų5146.9 Ų46.919%0.19228%0.277CS..  trans-132167.3-170.9-73.4174.5177-87.7-4.4110.2H56 R101 L266 N267 E271 L381 E383H56-R269 PolarHBondContact NE2-NH2 3.5Å; R101-R269 PolarHBondContact NE-O 2.88Å; R101-R269 PolarHBondContact NH2-O 2.53Å; L266-R269 PolarHBondContact O-NE 2.9Å; L266-R269 VanDerWaalsContact O-NE 3.13Å; N267-R269 PolarHBondContact O-N 3.18Å; N267-R269 VanDerWaalsContact O-N 3.12Å; R269-E271 PolarHBondContact O-N 3.29Å; R269-L381 HydrophobicContact CB-CD2 4.07Å; R269-L381 HydrophobicContact CG-CD2 4.3Å; R269-E383 IonicContact CZ-OE1 2.68Å; R269-E383 IonicContact NH1-OE1 3.63Å; R269-E383 PolarHBondContact NH1-OE1 2.69Å
270Y94Very high85.6Confident8 Ų851.5 Ų51.53%0.03132%0.316CS..  trans-51.2125.8172.4177.2-90.9000110.1H100 W103 D272 L350 F351 C380H100-Y270 PolarHBondContact ND1-N 2.68Å; H100-Y270 WeakPolarHBondContact O-CA 3.43Å; H100-Y270 WeakPolarHBondContact O-CD2 3.45Å; W103-Y270 AromaticContact CH2-CD2 3.78Å; W103-Y270 HydrophobicContact CH2-CD2 3.78Å; W103-Y270 AromaticContact CH2-CE2 3.52Å; W103-Y270 HydrophobicContact CH2-CE2 3.52Å; W103-Y270 HydrophobicContact CZ3-CD2 4.18Å; W103-Y270 AromaticContact CZ3-CE2 3.77Å; W103-Y270 HydrophobicContact CZ3-CE2 3.77Å; Y270-D272 HydrophobicContact CE1-CB 4.41Å; Y270-L350 WeakPolarHBondContact CE2-O 3.44Å; Y270-L350 PolarHBondContact OH-O 3.43Å; Y270-F351 HydrophobicContact CD2-CE1 4.32Å; Y270-F351 HydrophobicContact CE2-CE1 4.31Å; Y270-C380 HydrophobicContact CD1-CB 3.76Å; Y270-C380 HydrophobicContact CD2-CB 3.7Å; Y270-C380 HydrophobicContact CE1-CB 4.21Å; Y270-C380 HydrophobicContact CE2-CB 4.16Å; Y270-C380 WeakPolarHBondContact CE2-SG 3.25Å; Y270-C380 HydrophobicContact CG-CB 3.49Å; Y270-C380 VanDerWaalsContact CG-CB 3.49Å
271E89.7Confident84.7Confident50 Ų5052.3 Ų52.323%0.23432%0.318CS..  trans-107.6136.5169177.7177.6165.800106R101 W103 R269 F273 R276R101-E271 IonicContact CZ-OE2 2.68Å; R101-E271 IonicContact NH1-OE2 3.6Å; R101-E271 PolarHBondContact NH1-OE2 2.92Å; R101-E271 IonicContact NH2-OE2 3.94Å; R101-E271 PolarHBondContact NH2-OE2 3.11Å; W103-E271 VanDerWaalsContact CH2-O 3.3Å; W103-E271 WeakPolarHBondContact CH2-O 3.44Å; W103-E271 WeakPolarHBondContact CZ2-O 3.06Å; R269-E271 PolarHBondContact O-N 3.29Å; E271-F273 PolarHBondContact O-N 3.23Å; E271-F273 VanDerWaalsContact O-N 3.08Å; E271-R276 HydrophobicContact CG-CB 4.24Å; E271-R276 VanDerWaalsContact OE1-CA 3.28Å; E271-R276 WeakPolarHBondContact OE1-CA 3.42Å; E271-R276 VanDerWaalsContact OE1-CB 3.29Å; E271-R276 WeakPolarHBondContact OE1-CB 3.46Å
272D86.9Confident84.1Confident23 Ų2350.8 Ų50.812%0.12331%0.305CS..  trans-58.1118.9-177.9-168.1-40.9000110.2Y270 F274 N275 R276 K376Y270-D272 HydrophobicContact CE1-CB 4.41Å; D272-F274 PolarHBondContact O-N 3.48Å; D272-F274 VanDerWaalsContact O-N 3.09Å; D272-F274 PolarHBondContact OD1-N 3.44Å; D272-N275 HydrophobicContact CB-CB 4.1Å; D272-N275 PolarHBondContact O-N 2.94Å; D272-N275 VanDerWaalsContact O-N 3.09Å; D272-N275 PolarHBondContact OD2-ND2 3.44Å; D272-R276 PolarHBondContact O-N 3.26Å; D272-K376 IonicContact OD2-NZ 3.2Å; D272-K376 PolarHBondContact OD2-NZ 2.64Å
273F84.9Confident83.6Confident2 Ų254.6 Ų54.61%0.00933%0.33CS..G310 helixtrans-51.3-39.1-179.1-173.6-91.7000110.5W103 E271 R276 S282 G352W103-F273 HydrophobicContact CB-CD2 4.38Å; W103-F273 HydrophobicContact CB-CE2 3.91Å; W103-F273 AromaticContact CD2-CD2 3.54Å; W103-F273 HydrophobicContact CD2-CD2 3.54Å; W103-F273 AromaticContact CD2-CE2 3.98Å; W103-F273 HydrophobicContact CD2-CE2 3.98Å; W103-F273 AromaticContact CE2-CD2 3.8Å; W103-F273 AromaticContact CE3-CD2 3.8Å; W103-F273 HydrophobicContact CE3-CD2 3.8Å; W103-F273 HydrophobicContact CE3-CE2 4.45Å; W103-F273 AromaticContact CG-CD2 3.79Å; W103-F273 HydrophobicContact CG-CD2 3.79Å; W103-F273 AromaticContact CG-CE2 3.71Å; W103-F273 HydrophobicContact CG-CE2 3.71Å; W103-F273 HydrophobicContact CH2-CB 4.4Å; W103-F273 HydrophobicContact CZ2-CD2 4.3Å; W103-F273 HydrophobicContact CZ3-CD2 4.28Å; E271-F273 PolarHBondContact O-N 3.23Å; E271-F273 VanDerWaalsContact O-N 3.08Å; F273-R276 WeakPolarHBondContact O-CG 3.06Å; F273-R276 PolarHBondContact O-NH1 2.86Å; F273-S282 WeakPolarHBondContact CZ-O 3.5Å; F273-G352 VanDerWaalsContact CE1-CA 3.44Å; F273-G352 VanDerWaalsContact CZ-CA 3.49Å
274F81.1Confident83.4Confident23 Ų2356.2 Ų56.210%0.10134%0.34CS..G310 helixtrans-89-10.5-174.2-61.4-87.9000115F232 N233 H236 D272 H279 S349F232-F274 AromaticContact CD1-CE1 3.78Å; F232-F274 HydrophobicContact CD1-CE1 3.78Å; F232-F274 AromaticContact CD1-CZ 3.99Å; F232-F274 HydrophobicContact CD1-CZ 3.99Å; F232-F274 AromaticContact CE1-CE1 3.4Å; F232-F274 HydrophobicContact CE1-CE1 3.4Å; F232-F274 VanDerWaalsContact CE1-CE1 3.4Å; F232-F274 AromaticContact CE1-CZ 3.32Å; F232-F274 HydrophobicContact CE1-CZ 3.32Å; F232-F274 HydrophobicContact CZ-CE1 4.22Å; F232-F274 AromaticContact CZ-CZ 3.66Å; F232-F274 HydrophobicContact CZ-CZ 3.66Å; N233-F274 HydrophobicContact CB-CD1 4.38Å; N233-F274 VanDerWaalsContact OD1-CE1 3.28Å; N233-F274 WeakPolarHBondContact OD1-CE1 3.5Å; H236-F274 HydrophobicContact CB-CD2 4.03Å; H236-F274 HydrophobicContact CB-CG 4.4Å; H236-F274 AromaticContact CD2-CD2 3.29Å; H236-F274 WeakPolarHBondContact CD2-CD2 3.18Å; H236-F274 AromaticContact CD2-CE2 3.06Å; H236-F274 WeakPolarHBondContact CD2-CE2 3.36Å; H236-F274 AromaticContact CD2-CG 3.97Å; H236-F274 AromaticContact CD2-CZ 3.54Å; H236-F274 AromaticContact CE1-CE2 3.57Å; H236-F274 AromaticContact CG-CD2 3.44Å; H236-F274 VanDerWaalsContact CG-CD2 3.44Å; H236-F274 AromaticContact CG-CE2 3.64Å; H236-F274 AromaticContact ND1-CD2 3.92Å; H236-F274 AromaticContact ND1-CE2 3.91Å; H236-F274 AromaticContact NE2-CD2 3.74Å; H236-F274 AromaticContact NE2-CE2 3.05Å; H236-F274 WeakPolarHBondContact NE2-CE2 3.34Å; H236-F274 AromaticContact NE2-CZ 3.55Å; D272-F274 PolarHBondContact O-N 3.48Å; D272-F274 VanDerWaalsContact O-N 3.09Å; D272-F274 PolarHBondContact OD1-N 3.44Å; F274-H279 VanDerWaalsContact C-CE1 3.45Å; F274-H279 PolarHBondContact O-CE1 3.19Å; F274-H279 PolarHBondContact O-NE2 3.43Å; F274-S349 VanDerWaalsContact CE2-O 3.22Å; F274-S349 WeakPolarHBondContact CE2-O 3.28Å
275N76.3Confident83.5Confident125 Ų12555.3 Ų55.367%0.66833%0.329SS*.G310 helixtrans-116.617.5179.7-63.7-55.7000112.5D272D272-N275 HydrophobicContact CB-CB 4.1Å; D272-N275 PolarHBondContact O-N 2.94Å; D272-N275 VanDerWaalsContact O-N 3.09Å; D272-N275 PolarHBondContact OD2-ND2 3.44Å
276R76.2Confident83.5Confident18 Ų1857.1 Ų57.17%0.06833%0.33CS..  trans-75.8148.2-178.370-177.6-176.2-99.3-5.3112E271 D272 F273 N278 H279 S282E271-R276 HydrophobicContact CG-CB 4.24Å; E271-R276 VanDerWaalsContact OE1-CA 3.28Å; E271-R276 WeakPolarHBondContact OE1-CA 3.42Å; E271-R276 VanDerWaalsContact OE1-CB 3.29Å; E271-R276 WeakPolarHBondContact OE1-CB 3.46Å; D272-R276 PolarHBondContact O-N 3.26Å; F273-R276 WeakPolarHBondContact O-CG 3.06Å; F273-R276 PolarHBondContact O-NH1 2.86Å; R276-N278 VanDerWaalsContact C-N 3.29Å; R276-N278 PolarHBondContact NE-O 3.49Å; R276-N278 PolarHBondContact O-N 3.42Å; R276-H279 PolarHBondContact NH2-O 3.21Å; R276-H279 PolarHBondContact O-CD2 3.5Å; R276-H279 PolarHBondContact O-NE2 3.47Å; R276-S282 PolarHBondContact NH2-O 2.73Å
277A63.6Low83.5Confident91 Ų9156 Ų5675%0.75232%0.324SS*.THydrogen-bonded Turntrans-62.2-35.1-18000000113.3
278N67.4Low83.4Confident120 Ų12054.9 Ų54.964%0.64231%0.314SS*.THydrogen-bonded Turntrans-110.464-172.1-70.1-20.6000112.5R276 A280 A281R276-N278 VanDerWaalsContact C-N 3.29Å; R276-N278 PolarHBondContact NE-O 3.49Å; R276-N278 PolarHBondContact O-N 3.42Å; N278-A280 VanDerWaalsContact C-N 3.29Å; N278-A280 PolarHBondContact O-N 3.12Å; N278-A281 HydrophobicContact CB-CB 4.3Å; N278-A281 PolarHBondContact O-N 3.49Å
279H69.6Low83.4Confident86 Ų8657.5 Ų57.540%0.39833%0.332SS..G310 helixtrans-53.8-43.3178-89.7-86.1000113.9F274 R276 A281 S282F274-H279 VanDerWaalsContact C-CE1 3.45Å; F274-H279 PolarHBondContact O-CE1 3.19Å; F274-H279 PolarHBondContact O-NE2 3.43Å; R276-H279 PolarHBondContact NH2-O 3.21Å; R276-H279 PolarHBondContact O-CD2 3.5Å; R276-H279 PolarHBondContact O-NE2 3.47Å; H279-A281 VanDerWaalsContact C-N 3.28Å; H279-A281 PolarHBondContact O-N 3.4Å; H279-S282 PolarHBondContact O-N 3.06Å
280A69.8Low83.5Confident103 Ų10355.5 Ų55.585%0.85132%0.324SS*.G310 helixtrans-65.4-26.6-174.400000114.2N278 S282N278-A280 VanDerWaalsContact C-N 3.29Å; N278-A280 PolarHBondContact O-N 3.12Å; A280-S282 VanDerWaalsContact C-N 3.35Å; A280-S282 PolarHBondContact O-N 3.3Å
281A74.6Confident83.5Confident68 Ų6855.2 Ų55.256%0.56232%0.323SS*.G310 helixtrans-75.8-21-175.200000113.6N278 H279N278-A281 HydrophobicContact CB-CB 4.3Å; N278-A281 PolarHBondContact O-N 3.49Å; H279-A281 VanDerWaalsContact C-N 3.28Å; H279-A281 PolarHBondContact O-N 3.4Å
282S81.9Confident83.8Confident9 Ų952.8 Ų52.86%0.06331%0.312CS..SBendtrans-142.972.6-174.6-510000111.1L104 F273 R276 H279 A280L104-S282 VanDerWaalsContact CD2-OG 3.3Å; L104-S282 WeakPolarHBondContact CD2-OG 3.35Å; F273-S282 WeakPolarHBondContact CZ-O 3.5Å; R276-S282 PolarHBondContact NH2-O 2.73Å; H279-S282 PolarHBondContact O-N 3.06Å; A280-S282 VanDerWaalsContact C-N 3.35Å; A280-S282 PolarHBondContact O-N 3.3Å
283P87Confident84.2Confident86 Ų8656.1 Ų56.156%0.55833%0.327SS*.  trans-58.8156.8-175.727.1-35.7000111.9L285P283-L285 PolarHBondContact O-N 3.39Å
284T91.3Very high84.6Confident36 Ų3661.4 Ų61.422%0.22136%0.355CS..  trans-50.2127.5170.5-55.40000109.9F232 K286 G352 R354F232-T284 HydrophobicContact CD1-CG2 4.48Å; F232-T284 HydrophobicContact CE1-CG2 3.57Å; F232-T284 HydrophobicContact CZ-CG2 3.82Å; T284-K286 PolarHBondContact O-N 3.32Å; T284-G352 CarbonylContact C-O 2.9Å; T284-G352 VanDerWaalsContact CA-O 3.32Å; T284-G352 WeakPolarHBondContact CA-O 3.38Å; T284-G352 VanDerWaalsContact CG2-O 3.3Å; T284-G352 WeakPolarHBondContact CG2-O 3.49Å; T284-R354 HydrophobicContact CG2-CB 3.69Å
285L93.9Very high85.3Confident6 Ų662.7 Ų62.73%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-80.2115.2174.6178.958.7000108.7P283 F290 G352 I353 R354 N419 Y420P283-L285 PolarHBondContact O-N 3.39Å; L285-F290 HydrophobicContact CD1-CB 3.81Å; L285-G352 PolarHBondContact N-O 2.84Å; L285-I353 HydrophobicContact CB-CG1 4.26Å; L285-I353 HydrophobicContact CD2-CD1 4.45Å; L285-I353 HydrophobicContact CD2-CG1 4.22Å; L285-I353 CarbonylContact O-C 3.46Å; L285-I353 WeakPolarHBondContact O-CA 3.49Å; L285-R354 PolarHBondContact O-N 3.29Å; L285-N419 HydrophobicContact CD2-CB 4.31Å; L285-Y420 HydrophobicContact CB-CE1 3.94Å; L285-Y420 HydrophobicContact CD2-CD1 4.17Å; L285-Y420 HydrophobicContact CD2-CE1 3.87Å
286K94.3Very high86.2Confident76 Ų7656.8 Ų56.833%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-81.4136.2172.8-53.5177.2-173.2174.90108.7T284 H288 D289 F290T284-K286 PolarHBondContact O-N 3.32Å; K286-H288 PolarHBondContact O-N 3.27Å; K286-D289 HydrophobicContact CB-CB 4.37Å; K286-D289 WeakPolarHBondContact CB-OD2 3.44Å; K286-D289 WeakPolarHBondContact O-CB 3.34Å; K286-D289 PolarHBondContact O-N 3.5Å; K286-F290 PolarHBondContact O-N 2.74Å
287I92Very high87.1Confident10 Ų1059.1 Ų59.15%0.05134%0.341CS..THydrogen-bonded Turntrans-61.1-30.7-178.1-159.869.3000112.6D289 F290 S291 I353 R354 Y355I287-D289 VanDerWaalsContact C-N 3.3Å; I287-D289 PolarHBondContact O-N 3.35Å; I287-F290 CarbonylContact O-C 3.53Å; I287-F290 VanDerWaalsContact O-C 3.29Å; I287-F290 PolarHBondContact O-N 3Å; I287-S291 WeakPolarHBondContact O-CB 3.48Å; I287-I353 HydrophobicContact CD1-CG2 4.24Å; I287-R354 PolarHBondContact N-O 3.43Å; I287-Y355 HydrophobicContact CB-CD1 4.2Å; I287-Y355 HydrophobicContact CB-CE1 4.19Å; I287-Y355 HydrophobicContact CB-CG 4.39Å; I287-Y355 HydrophobicContact CD1-CE1 4.36Å; I287-Y355 HydrophobicContact CD1-CE2 4.24Å; I287-Y355 HydrophobicContact CG1-CD1 4.19Å; I287-Y355 HydrophobicContact CG1-CE1 3.67Å; I287-Y355 HydrophobicContact CG1-CE2 4.27Å; I287-Y355 HydrophobicContact CG2-CD1 3.66Å; I287-Y355 HydrophobicContact CG2-CE1 4.01Å; I287-Y355 HydrophobicContact CG2-CG 4.03Å
288H90.3Very high88.6Confident112 Ų11256.4 Ų56.452%0.51932%0.322SS..THydrogen-bonded Turntrans-71.6-23.5175.5-60.7-62.2000113.3K286K286-H288 PolarHBondContact O-N 3.27Å
289D93Very high89.9Confident104 Ų10451.5 Ų51.556%0.55630%0.296SS*.THydrogen-bonded Turntrans-79.2-38.8176.1-61.4-18.5000110.4K286 I287K286-D289 HydrophobicContact CB-CB 4.37Å; K286-D289 WeakPolarHBondContact CB-OD2 3.44Å; K286-D289 WeakPolarHBondContact O-CB 3.34Å; K286-D289 PolarHBondContact O-N 3.5Å; I287-D289 VanDerWaalsContact C-N 3.3Å; I287-D289 PolarHBondContact O-N 3.35Å
290F95.1Very high91.1Very high9 Ų947.4 Ų47.44%0.03928%0.277CS..SBendtrans-157129.3176.3-164.6-80000111.2L285 K286 I287 Q295 N419 S422 R423 M426L285-F290 HydrophobicContact CD1-CB 3.81Å; K286-F290 PolarHBondContact O-N 2.74Å; I287-F290 CarbonylContact O-C 3.53Å; I287-F290 VanDerWaalsContact O-C 3.29Å; I287-F290 PolarHBondContact O-N 3Å; F290-Q295 HydrophobicContact CD2-CB 4.01Å; F290-Q295 HydrophobicContact CD2-CG 4.18Å; F290-Q295 HydrophobicContact CE1-CB 4.34Å; F290-Q295 HydrophobicContact CE2-CB 3.48Å; F290-Q295 VanDerWaalsContact CE2-CB 3.48Å; F290-Q295 HydrophobicContact CE2-CG 4.07Å; F290-Q295 HydrophobicContact CZ-CB 3.66Å; F290-N419 HydrophobicContact CD1-CB 4.44Å; F290-N419 VanDerWaalsContact CE1-O 3.25Å; F290-N419 WeakPolarHBondContact CE1-O 3.16Å; F290-S422 WeakPolarHBondContact CE1-OG 3.46Å; F290-S422 VanDerWaalsContact CZ-OG 3.22Å; F290-S422 WeakPolarHBondContact CZ-OG 3.24Å; F290-R423 HydrophobicContact CD1-CB 4.14Å; F290-R423 HydrophobicContact CD2-CB 3.9Å; F290-R423 HydrophobicContact CD2-CG 3.92Å; F290-R423 HydrophobicContact CE1-CB 4.12Å; F290-R423 HydrophobicContact CE2-CB 3.84Å; F290-R423 HydrophobicContact CE2-CG 4.25Å; F290-R423 HydrophobicContact CG-CB 4.05Å; F290-R423 HydrophobicContact CG-CG 4.19Å; F290-R423 HydrophobicContact CZ-CB 3.97Å; F290-R423 VanDerWaalsContact CZ-N 3.28Å; F290-M426 HydrophobicContact CE2-SD 3.91Å
291S95Very high92.2Very high2 Ų243.8 Ų43.81%0.01425%0.25CS..  trans-139.6167.3173.187.40000112.2I287 E293 N294 Q295 G296I287-S291 WeakPolarHBondContact O-CB 3.48Å; S291-E293 VanDerWaalsContact C-N 3.35Å; S291-E293 WeakPolarHBondContact CB-OE2 3.43Å; S291-E293 PolarHBondContact OG-N 2.9Å; S291-E293 PolarHBondContact OG-OE2 2.98Å; S291-N294 PolarHBondContact OG-N 3.48Å; S291-N294 PolarHBondContact OG-ND2 3.23Å; S291-Q295 PolarHBondContact O-N 3.49Å; S291-Q295 VanDerWaalsContact O-N 3.12Å; S291-Q295 PolarHBondContact O-OE1 3.22Å; S291-G296 PolarHBondContact O-N 3.44Å
292W96Very high93.1Very high0 Ų047.2 Ų47.20%026%0.255CS..Iπ-helixtrans-61.6-48.3174.9169.8-100.4000110N294 G296 F297 F300 I310 I313 D314 F317 Q415 L418 N419W292-N294 VanDerWaalsContact C-N 3.35Å; W292-N294 PolarHBondContact O-N 2.86Å; W292-G296 CarbonylContact O-C 3.58Å; W292-G296 WeakPolarHBondContact O-CA 3.38Å; W292-G296 PolarHBondContact O-N 3.29Å; W292-G296 VanDerWaalsContact O-N 3.13Å; W292-F297 HydrophobicContact CZ2-CB 4.23Å; W292-F297 AromaticContact CZ2-CD2 3.97Å; W292-F297 HydrophobicContact CZ2-CD2 3.97Å; W292-F297 WeakPolarHBondContact O-CB 3.47Å; W292-F297 PolarHBondContact O-N 3.15Å; W292-F300 HydrophobicContact CH2-CB 4.24Å; W292-F300 HydrophobicContact CH2-CD2 4.38Å; W292-F300 HydrophobicContact CH2-CG 4.42Å; W292-F300 HydrophobicContact CZ3-CB 4.35Å; W292-F300 AromaticContact CZ3-CD2 3.68Å; W292-F300 HydrophobicContact CZ3-CD2 3.68Å; W292-F300 HydrophobicContact CZ3-CE2 4.24Å; W292-F300 HydrophobicContact CZ3-CG 4.16Å; W292-I310 HydrophobicContact CH2-CG2 4.17Å; W292-I310 HydrophobicContact CZ2-CG2 4.14Å; W292-I313 HydrophobicContact CH2-CG2 4.05Å; W292-I313 HydrophobicContact CZ2-CB 4.47Å; W292-I313 HydrophobicContact CZ2-CG2 3.85Å; W292-D314 PolarHBondContact NE1-OD1 3.37Å; W292-F317 AromaticContact CD1-CD2 3.77Å; W292-F317 HydrophobicContact CD2-CD2 4.36Å; W292-F317 AromaticContact CD2-CE2 3.85Å; W292-F317 HydrophobicContact CD2-CE2 3.85Å; W292-F317 AromaticContact CE2-CE2 3.8Å; W292-F317 HydrophobicContact CE3-CE2 4.42Å; W292-F317 HydrophobicContact CG-CD2 4.17Å; W292-F317 AromaticContact CG-CE2 4Å; W292-F317 HydrophobicContact CG-CE2 4Å; W292-F317 HydrophobicContact CZ2-CE2 4.33Å; W292-F317 AromaticContact NE1-CD2 3.71Å; W292-F317 AromaticContact NE1-CE2 3.9Å; W292-Q415 HydrophobicContact CB-CG 3.98Å; W292-Q415 HydrophobicContact CG-CG 4.49Å; W292-L418 HydrophobicContact CE3-CB 4.08Å; W292-L418 HydrophobicContact CE3-CD1 4Å; W292-L418 HydrophobicContact CH2-CD1 4.07Å; W292-L418 HydrophobicContact CZ3-CB 4.15Å; W292-L418 HydrophobicContact CZ3-CD1 3.58Å; W292-L418 HydrophobicContact CZ3-CG 4.47Å; W292-N419 WeakPolarHBondContact CA-OD1 3.32Å; W292-N419 WeakPolarHBondContact CB-OD1 3.19Å; W292-N419 PolarHBondContact N-OD1 3.18Å
293E94.2Very high93.6Very high93 Ų9347.5 Ų47.544%0.43526%0.255SS..Iπ-helixtrans-65.4-38-174.2-52.678.9-170.200112.1S291 Q415S291-E293 VanDerWaalsContact C-N 3.35Å; S291-E293 WeakPolarHBondContact CB-OE2 3.43Å; S291-E293 PolarHBondContact OG-N 2.9Å; S291-E293 PolarHBondContact OG-OE2 2.98Å; E293-Q415 PolarHBondContact OE1-NE2 3.34Å
294N94.4Very high93.7Very high113 Ų11343.5 Ų43.560%0.60423%0.229SC*.Iπ-helixtrans-86.7-37.4-173.6-71.2-33.7000113.4S291 W292S291-N294 PolarHBondContact OG-N 3.48Å; S291-N294 PolarHBondContact OG-ND2 3.23Å; W292-N294 VanDerWaalsContact C-N 3.35Å; W292-N294 PolarHBondContact O-N 2.86Å
295Q95.2Very high93.3Very high50 Ų5047 Ų4723%0.23425%0.247CC..Iπ-helixtrans-131.1-45.1-176-59.989.10.600112.8F290 S291 F297 G298 V299 M426F290-Q295 HydrophobicContact CD2-CB 4.01Å; F290-Q295 HydrophobicContact CD2-CG 4.18Å; F290-Q295 HydrophobicContact CE1-CB 4.34Å; F290-Q295 HydrophobicContact CE2-CB 3.48Å; F290-Q295 VanDerWaalsContact CE2-CB 3.48Å; F290-Q295 HydrophobicContact CE2-CG 4.07Å; F290-Q295 HydrophobicContact CZ-CB 3.66Å; S291-Q295 PolarHBondContact O-N 3.49Å; S291-Q295 VanDerWaalsContact O-N 3.12Å; S291-Q295 PolarHBondContact O-OE1 3.22Å; Q295-F297 PolarHBondContact O-N 3.25Å; Q295-G298 PolarHBondContact O-N 2.9Å; Q295-V299 WeakPolarHBondContact O-CG2 3.46Å; Q295-V299 PolarHBondContact O-N 2.89Å; Q295-M426 HydrophobicContact CB-SD 4.37Å; Q295-M426 HydrophobicContact CG-SD 4.26Å
296G95.6Very high93.1Very high0 Ų047.8 Ų47.80%025%0.252CS..Iπ-helixtrans-56.6-47.2-172.400000113.7S291 W292 G298 V299 F300S291-G296 PolarHBondContact O-N 3.44Å; W292-G296 CarbonylContact O-C 3.58Å; W292-G296 WeakPolarHBondContact O-CA 3.38Å; W292-G296 PolarHBondContact O-N 3.29Å; W292-G296 VanDerWaalsContact O-N 3.13Å; G296-G298 VanDerWaalsContact C-N 3.33Å; G296-G298 PolarHBondContact O-N 2.76Å; G296-V299 PolarHBondContact O-N 3.37Å; G296-F300 WeakPolarHBondContact O-CD2 3.32Å; G296-F300 PolarHBondContact O-N 3.21Å
297F95.7Very high92.9Very high68 Ų6848.7 Ų48.730%0.29826%0.264SS..Hα-helixtrans-54.7-48.5177.7179-88.6000111.3W292 Q295 G301 I310 D311 D314W292-F297 HydrophobicContact CZ2-CB 4.23Å; W292-F297 AromaticContact CZ2-CD2 3.97Å; W292-F297 HydrophobicContact CZ2-CD2 3.97Å; W292-F297 WeakPolarHBondContact O-CB 3.47Å; W292-F297 PolarHBondContact O-N 3.15Å; Q295-F297 PolarHBondContact O-N 3.25Å; F297-G301 PolarHBondContact O-N 3.43Å; F297-I310 HydrophobicContact CD2-CG2 3.7Å; F297-I310 HydrophobicContact CE2-CG2 3.67Å; F297-I310 HydrophobicContact CG-CG2 4.33Å; F297-I310 HydrophobicContact CZ-CG2 4.27Å; F297-D311 WeakPolarHBondContact CZ-OD1 3.37Å; F297-D314 HydrophobicContact CD2-CB 3.95Å; F297-D314 HydrophobicContact CE2-CB 3.9Å
298G94.3Very high93Very high34 Ų3453.8 Ų53.835%0.35129%0.288SS..Hα-helixtrans-64.6-43.7179.300000113.1Q295 G296 G301 Q302Q295-G298 PolarHBondContact O-N 2.9Å; G296-G298 VanDerWaalsContact C-N 3.33Å; G296-G298 PolarHBondContact O-N 2.76Å; G298-G301 PolarHBondContact O-N 2.98Å; G298-Q302 VanDerWaalsContact O-CG 3.31Å; G298-Q302 WeakPolarHBondContact O-CG 3.27Å; G298-Q302 PolarHBondContact O-N 3.33Å; G298-Q302 VanDerWaalsContact O-N 3.08Å
299V94.6Very high93.3Very high16 Ų1648.8 Ų48.810%0.09727%0.265CS..Hα-helixtrans-60.5-48.2178.3171.50000110.9Q295 G296 L303 V425 M426Q295-V299 WeakPolarHBondContact O-CG2 3.46Å; Q295-V299 PolarHBondContact O-N 2.89Å; G296-V299 PolarHBondContact O-N 3.37Å; V299-L303 HydrophobicContact CG1-CD1 4.05Å; V299-L303 WeakPolarHBondContact O-CD1 3.05Å; V299-L303 WeakPolarHBondContact O-CG 3.42Å; V299-L303 PolarHBondContact O-N 3.46Å; V299-V425 HydrophobicContact CG1-CB 4.04Å; V299-V425 HydrophobicContact CG1-CG1 3.64Å; V299-M426 HydrophobicContact CG2-CB 4.5Å
300F95.1Very high93.5Very high0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-69.7-41.4179.2-85.8-89.7000112.2V128 L132 W292 G296 Q302 L303 V304 I310 L418 F421V128-F300 HydrophobicContact CG1-CD1 3.35Å; V128-F300 HydrophobicContact CG1-CE1 3.44Å; V128-F300 VanDerWaalsContact CG1-CE1 3.44Å; V128-F300 HydrophobicContact CG1-CG 4.12Å; V128-F300 HydrophobicContact CG1-CZ 4.29Å; L132-F300 HydrophobicContact CB-CE1 4.01Å; L132-F300 HydrophobicContact CD1-CD1 4.34Å; L132-F300 HydrophobicContact CD1-CE1 4.06Å; W292-F300 HydrophobicContact CH2-CB 4.24Å; W292-F300 HydrophobicContact CH2-CD2 4.38Å; W292-F300 HydrophobicContact CH2-CG 4.42Å; W292-F300 HydrophobicContact CZ3-CB 4.35Å; W292-F300 AromaticContact CZ3-CD2 3.68Å; W292-F300 HydrophobicContact CZ3-CD2 3.68Å; W292-F300 HydrophobicContact CZ3-CE2 4.24Å; W292-F300 HydrophobicContact CZ3-CG 4.16Å; G296-F300 WeakPolarHBondContact O-CD2 3.32Å; G296-F300 PolarHBondContact O-N 3.21Å; F300-Q302 VanDerWaalsContact C-N 3.26Å; F300-Q302 PolarHBondContact O-N 3.44Å; F300-L303 PolarHBondContact O-N 2.89Å; F300-L303 VanDerWaalsContact O-N 3.08Å; F300-V304 HydrophobicContact CB-CG2 4.44Å; F300-V304 HydrophobicContact CD1-CG2 3.81Å; F300-V304 WeakPolarHBondContact O-CB 3.35Å; F300-V304 WeakPolarHBondContact O-CG2 3.4Å; F300-V304 PolarHBondContact O-N 3.18Å; F300-I310 HydrophobicContact CB-CD1 3.79Å; F300-I310 HydrophobicContact CB-CG1 4.33Å; F300-L418 HydrophobicContact CE1-CD2 4.21Å; F300-L418 HydrophobicContact CE2-CB 4.23Å; F300-L418 HydrophobicContact CE2-CD2 4.13Å; F300-L418 HydrophobicContact CZ-CD2 3.65Å; F300-F421 HydrophobicContact CE1-CD1 4.47Å; F300-F421 HydrophobicContact CE2-CD1 4.31Å; F300-F421 AromaticContact CZ-CD1 3.68Å; F300-F421 HydrophobicContact CZ-CD1 3.68Å; F300-F421 HydrophobicContact CZ-CE1 4.3Å
301G93.2Very high93.6Very high28 Ų2847.1 Ų47.129%0.28926%0.257SS..Hα-helixtrans-57.8-36.4177.600000113.3F297 G298F297-G301 PolarHBondContact O-N 3.43Å; G298-G301 PolarHBondContact O-N 2.98Å
302Q92.8Very high93.7Very high140 Ų14047.8 Ų47.865%0.65426%0.26SS*.Hα-helixtrans-74.4-26.2176.9-71.8176.45.700113.9G298 F300G298-Q302 VanDerWaalsContact O-CG 3.31Å; G298-Q302 WeakPolarHBondContact O-CG 3.27Å; G298-Q302 PolarHBondContact O-N 3.33Å; G298-Q302 VanDerWaalsContact O-N 3.08Å; F300-Q302 VanDerWaalsContact C-N 3.26Å; F300-Q302 PolarHBondContact O-N 3.44Å
303L93.5Very high93.8Very high14 Ų1447.8 Ų47.87%0.07326%0.26CS..Hα-helixtrans-111.9-26.2-165.5-64.1170.6000114.3L124 N125 V128 V299 F300 N305 V425 M429L124-L303 HydrophobicContact CD2-CD1 3.93Å; L124-L303 HydrophobicContact CD2-CD2 3.77Å; L124-L303 HydrophobicContact CG-CD1 4.06Å; L124-L303 HydrophobicContact CG-CD2 4.02Å; N125-L303 WeakPolarHBondContact CA-O 3.41Å; N125-L303 WeakPolarHBondContact CB-O 3.14Å; N125-L303 VanDerWaalsContact CG-O 3.3Å; N125-L303 PolarHBondContact ND2-O 3.49Å; V128-L303 HydrophobicContact CB-CB 4.06Å; V128-L303 HydrophobicContact CG1-CB 4.05Å; V128-L303 HydrophobicContact CG2-CB 3.93Å; V128-L303 HydrophobicContact CG2-CD1 3.74Å; V128-L303 HydrophobicContact CG2-CG 4.44Å; V299-L303 HydrophobicContact CG1-CD1 4.05Å; V299-L303 WeakPolarHBondContact O-CD1 3.05Å; V299-L303 WeakPolarHBondContact O-CG 3.42Å; V299-L303 PolarHBondContact O-N 3.46Å; F300-L303 PolarHBondContact O-N 2.89Å; F300-L303 VanDerWaalsContact O-N 3.08Å; L303-N305 VanDerWaalsContact C-N 3.32Å; L303-N305 PolarHBondContact O-N 3.39Å; L303-V425 HydrophobicContact CD1-CG1 3.69Å; L303-M429 HydrophobicContact CD1-SD 4.16Å
304V89Confident94Very high3 Ų345.7 Ų45.72%0.01825%0.252CS..SBendtrans-77.8-15.8-177.3173.80000113.4V128 L132 F300 S306 L309 I310V128-V304 HydrophobicContact CG1-CG2 3.68Å; L132-V304 HydrophobicContact CD2-CG1 4.35Å; L132-V304 HydrophobicContact CD2-CG2 4.23Å; F300-V304 HydrophobicContact CB-CG2 4.44Å; F300-V304 HydrophobicContact CD1-CG2 3.81Å; F300-V304 WeakPolarHBondContact O-CB 3.35Å; F300-V304 WeakPolarHBondContact O-CG2 3.4Å; F300-V304 PolarHBondContact O-N 3.18Å; V304-S306 PolarHBondContact O-N 3.46Å; V304-L309 HydrophobicContact CG1-CD2 3.95Å; V304-I310 HydrophobicContact CB-CD1 4.1Å; V304-I310 HydrophobicContact CB-CG1 4.42Å; V304-I310 HydrophobicContact CG1-CD1 4.25Å; V304-I310 HydrophobicContact CG2-CD1 3.99Å
305N81.9Confident94.1Very high109 Ų10945.1 Ų45.158%0.58325%0.245SC*.SBendtrans5819.6-175.6-60.3-20.7000114.5N125 L303N125-N305 PolarHBondContact ND2-ND2 2.9Å; N125-N305 PolarHBondContact ND2-OD1 3.01Å; L303-N305 VanDerWaalsContact C-N 3.32Å; L303-N305 PolarHBondContact O-N 3.39Å
306S89.6Confident94.3Very high22 Ų2242.8 Ų42.815%0.15424%0.235CC..  trans-13997.1173.2177.30000108.9V304 E308 L309 I310V304-S306 PolarHBondContact O-N 3.46Å; S306-E308 VanDerWaalsContact C-N 3.29Å; S306-E308 PolarHBondContact O-N 3.26Å; S306-L309 PolarHBondContact O-N 3.04Å; S306-L309 WeakPolarHBondContact OG-CB 3.42Å; S306-L309 PolarHBondContact OG-N 3.39Å; S306-I310 PolarHBondContact O-N 3.14Å
307T90.6Very high94.4Very high95 Ų9542.9 Ų42.958%0.58324%0.235SC*.Hα-helixtrans-61.7-41.4177.4-510000110.9L309 I310 D311T307-L309 VanDerWaalsContact C-N 3.32Å; T307-L309 PolarHBondContact O-N 3.08Å; T307-I310 PolarHBondContact O-N 2.91Å; T307-D311 PolarHBondContact O-N 2.95Å
308E94.2Very high94.5Very high118 Ų11842.3 Ų42.355%0.55124%0.239SC*.Hα-helixtrans-55.3-44.2177.5-177.3-177.8-17100112.3S306 I310 D311 L312S306-E308 VanDerWaalsContact C-N 3.29Å; S306-E308 PolarHBondContact O-N 3.26Å; E308-I310 VanDerWaalsContact C-N 3.31Å; E308-I310 PolarHBondContact O-N 2.85Å; E308-D311 PolarHBondContact O-N 3.04Å; E308-L312 HydrophobicContact CG-CD1 3.97Å; E308-L312 WeakPolarHBondContact O-CB 3.4Å; E308-L312 WeakPolarHBondContact O-CD1 3.22Å; E308-L312 VanDerWaalsContact O-CG 3.23Å; E308-L312 WeakPolarHBondContact O-CG 3.4Å; E308-L312 PolarHBondContact O-N 3.18Å
309L96.5Very high94.6Very high6 Ų641.9 Ų41.93%0.03123%0.229CC..Hα-helixtrans-62-40.1178178.255000111.9M28 M32 L132 V304 S306 T307 L312 I313M28-L309 HydrophobicContact CG-CD1 3.74Å; M32-L309 HydrophobicContact CB-CD1 4.12Å; M32-L309 HydrophobicContact CB-CD2 4.33Å; M32-L309 HydrophobicContact CE-CD1 4.19Å; L132-L309 HydrophobicContact CD2-CD2 3.76Å; L132-L309 HydrophobicContact CD2-CG 4.19Å; V304-L309 HydrophobicContact CG1-CD2 3.95Å; S306-L309 PolarHBondContact O-N 3.04Å; S306-L309 WeakPolarHBondContact OG-CB 3.42Å; S306-L309 PolarHBondContact OG-N 3.39Å; T307-L309 VanDerWaalsContact C-N 3.32Å; T307-L309 PolarHBondContact O-N 3.08Å; L309-L312 PolarHBondContact O-N 3.08Å; L309-I313 HydrophobicContact CD1-CD1 4.19Å; L309-I313 HydrophobicContact CG-CD1 4.13Å; L309-I313 WeakPolarHBondContact O-CD1 3.42Å; L309-I313 VanDerWaalsContact O-CG1 3.27Å; L309-I313 WeakPolarHBondContact O-CG1 3.29Å; L309-I313 PolarHBondContact O-N 2.98Å; L309-I313 VanDerWaalsContact O-N 3.12Å
310I96.8Very high94.8Very high2 Ų241.1 Ų41.11%0.0122%0.224CC..Hα-helixtrans-71.9-39.1-179.4-57.3-47000111.1L132 W292 F297 F300 V304 S306 T307 E308 L312 I313 D314L132-I310 HydrophobicContact CD2-CD1 4.29Å; W292-I310 HydrophobicContact CH2-CG2 4.17Å; W292-I310 HydrophobicContact CZ2-CG2 4.14Å; F297-I310 HydrophobicContact CD2-CG2 3.7Å; F297-I310 HydrophobicContact CE2-CG2 3.67Å; F297-I310 HydrophobicContact CG-CG2 4.33Å; F297-I310 HydrophobicContact CZ-CG2 4.27Å; F300-I310 HydrophobicContact CB-CD1 3.79Å; F300-I310 HydrophobicContact CB-CG1 4.33Å; V304-I310 HydrophobicContact CB-CD1 4.1Å; V304-I310 HydrophobicContact CB-CG1 4.42Å; V304-I310 HydrophobicContact CG1-CD1 4.25Å; V304-I310 HydrophobicContact CG2-CD1 3.99Å; S306-I310 PolarHBondContact O-N 3.14Å; T307-I310 PolarHBondContact O-N 2.91Å; E308-I310 VanDerWaalsContact C-N 3.31Å; E308-I310 PolarHBondContact O-N 2.85Å; I310-L312 VanDerWaalsContact C-N 3.35Å; I310-I313 HydrophobicContact CD1-CD1 4.06Å; I310-I313 PolarHBondContact O-N 3.48Å; I310-D314 PolarHBondContact O-N 3.04Å
311D97Very high94.8Very high77 Ų7744.7 Ų44.741%0.41224%0.241SC..Hα-helixtrans-62.6-41.2173.8-68.3-23.5000111.4F297 T307 E308 I313 D314 H315F297-D311 WeakPolarHBondContact CZ-OD1 3.37Å; T307-D311 PolarHBondContact O-N 2.95Å; E308-D311 PolarHBondContact O-N 3.04Å; D311-I313 VanDerWaalsContact C-N 3.32Å; D311-I313 PolarHBondContact O-N 3.19Å; D311-D314 PolarHBondContact O-N 3.35Å; D311-H315 VanDerWaalsContact O-CB 3.23Å; D311-H315 WeakPolarHBondContact O-CB 3.44Å; D311-H315 PolarHBondContact O-N 3.44Å
312L97.9Very high95Very high15 Ų1546.7 Ų46.78%0.07925%0.254CS..Hα-helixtrans-64.3-34.6175.5-73.7164.1000112.7N24 E27 M28 E308 L309 I310 G316N24-L312 PolarHBondContact ND2-O 3.4Å; N24-L312 PolarHBondContact OD1-O 2.87Å; E27-L312 HydrophobicContact CB-CD1 3.98Å; E27-L312 HydrophobicContact CB-CD2 3.77Å; M28-L312 HydrophobicContact CB-CB 4.02Å; M28-L312 HydrophobicContact CB-CD1 4.48Å; M28-L312 HydrophobicContact CG-CB 4.47Å; E308-L312 HydrophobicContact CG-CD1 3.97Å; E308-L312 WeakPolarHBondContact O-CB 3.4Å; E308-L312 WeakPolarHBondContact O-CD1 3.22Å; E308-L312 VanDerWaalsContact O-CG 3.23Å; E308-L312 WeakPolarHBondContact O-CG 3.4Å; E308-L312 PolarHBondContact O-N 3.18Å; L309-L312 PolarHBondContact O-N 3.08Å; I310-L312 VanDerWaalsContact C-N 3.35Å; L312-G316 PolarHBondContact O-N 2.9Å
313I97.9Very high95.2Very high1 Ų141.7 Ų41.71%0.00523%0.232CC..Hα-helixtrans-68.4-49.1175.2-70.3158.2000110.3M28 L132 W292 L309 I310 D311 H315 G316 F317 F414 L418M28-I313 HydrophobicContact CG-CG1 4.15Å; M28-I313 HydrophobicContact SD-CG1 3.67Å; L132-I313 HydrophobicContact CD1-CD1 3.67Å; L132-I313 HydrophobicContact CD2-CD1 3.84Å; L132-I313 HydrophobicContact CG-CD1 4.24Å; W292-I313 HydrophobicContact CH2-CG2 4.05Å; W292-I313 HydrophobicContact CZ2-CB 4.47Å; W292-I313 HydrophobicContact CZ2-CG2 3.85Å; L309-I313 HydrophobicContact CD1-CD1 4.19Å; L309-I313 HydrophobicContact CG-CD1 4.13Å; L309-I313 WeakPolarHBondContact O-CD1 3.42Å; L309-I313 VanDerWaalsContact O-CG1 3.27Å; L309-I313 WeakPolarHBondContact O-CG1 3.29Å; L309-I313 PolarHBondContact O-N 2.98Å; L309-I313 VanDerWaalsContact O-N 3.12Å; I310-I313 HydrophobicContact CD1-CD1 4.06Å; I310-I313 PolarHBondContact O-N 3.48Å; D311-I313 VanDerWaalsContact C-N 3.32Å; D311-I313 PolarHBondContact O-N 3.19Å; I313-H315 VanDerWaalsContact C-N 3.33Å; I313-H315 PolarHBondContact O-N 2.95Å; I313-G316 WeakPolarHBondContact O-CA 3.48Å; I313-G316 PolarHBondContact O-N 3.13Å; I313-G316 VanDerWaalsContact O-N 3.1Å; I313-F317 HydrophobicContact CG2-CD2 4.18Å; I313-F317 HydrophobicContact CG2-CE1 4.48Å; I313-F317 HydrophobicContact CG2-CE2 3.52Å; I313-F317 HydrophobicContact CG2-CZ 3.7Å; I313-F317 PolarHBondContact O-N 3.23Å; I313-F414 HydrophobicContact CD1-CZ 4.44Å; I313-F414 HydrophobicContact CG1-CE1 4.16Å; I313-F414 HydrophobicContact CG1-CZ 4.43Å; I313-F414 HydrophobicContact CG2-CE1 3.87Å; I313-F414 HydrophobicContact CG2-CZ 4.44Å; I313-L418 HydrophobicContact CG2-CD1 4.09Å
314D97.9Very high95.4Very high48 Ų4843.4 Ų43.426%0.25724%0.243SC..Hα-helixtrans-61.3-43.2178.9-169.570.2000111.8W292 F297 I310 D311 G316 F317 S318W292-D314 PolarHBondContact NE1-OD1 3.37Å; F297-D314 HydrophobicContact CD2-CB 3.95Å; F297-D314 HydrophobicContact CE2-CB 3.9Å; I310-D314 PolarHBondContact O-N 3.04Å; D311-D314 PolarHBondContact O-N 3.35Å; D314-G316 VanDerWaalsContact C-N 3.31Å; D314-G316 PolarHBondContact O-N 3.02Å; D314-F317 PolarHBondContact O-N 2.88Å; D314-S318 PolarHBondContact O-N 3.07Å; D314-S318 PolarHBondContact O-OG 3.48Å; D314-S318 VanDerWaalsContact O-OG 3.12Å
315H97.9Very high95.7Very high102 Ų10248.6 Ų48.647%0.47226%0.263SS..Hα-helixtrans-63.6-37.7174.1-167.153000111.7N24 D311 I313 S318 I319N24-H315 PolarHBondContact OD1-CD2 2.79Å; N24-H315 VanDerWaalsContact OD1-CD2 3.29Å; D311-H315 VanDerWaalsContact O-CB 3.23Å; D311-H315 WeakPolarHBondContact O-CB 3.44Å; D311-H315 PolarHBondContact O-N 3.44Å; I313-H315 VanDerWaalsContact C-N 3.33Å; I313-H315 PolarHBondContact O-N 2.95Å; H315-S318 WeakPolarHBondContact O-CB 3.43Å; H315-S318 PolarHBondContact O-N 2.87Å; H315-I319 VanDerWaalsContact CD2-CD1 3.4Å; H315-I319 WeakPolarHBondContact CD2-CD1 3.49Å; H315-I319 WeakPolarHBondContact NE2-CD1 3.36Å; H315-I319 VanDerWaalsContact O-CG1 3.28Å; H315-I319 WeakPolarHBondContact O-CG1 3.47Å; H315-I319 PolarHBondContact O-N 3.22Å
316G98Very high96.4Very high1 Ų149.3 Ų49.31%0.0126%0.261CS..Hα-helixtrans-59.7-45.3174.300000113.1N24 L312 I313 D314 I319 A320N24-G316 WeakPolarHBondContact ND2-CA 3.33Å; N24-G316 PolarHBondContact ND2-N 3.15Å; L312-G316 PolarHBondContact O-N 2.9Å; I313-G316 WeakPolarHBondContact O-CA 3.48Å; I313-G316 PolarHBondContact O-N 3.13Å; I313-G316 VanDerWaalsContact O-N 3.1Å; D314-G316 VanDerWaalsContact C-N 3.31Å; D314-G316 PolarHBondContact O-N 3.02Å; G316-I319 PolarHBondContact O-N 3.12Å; G316-A320 WeakPolarHBondContact O-CB 3.36Å; G316-A320 PolarHBondContact O-N 3.04Å
317F98.1Very high96.7Very high2 Ų250.8 Ų50.81%0.00927%0.269CS..Hα-helixtrans-62-44.2173.5-63-32.1000111.6W292 I313 D314 A320 Q321 W344 E411 F414 Q415 L418W292-F317 AromaticContact CD1-CD2 3.77Å; W292-F317 HydrophobicContact CD2-CD2 4.36Å; W292-F317 AromaticContact CD2-CE2 3.85Å; W292-F317 HydrophobicContact CD2-CE2 3.85Å; W292-F317 AromaticContact CE2-CE2 3.8Å; W292-F317 HydrophobicContact CE3-CE2 4.42Å; W292-F317 HydrophobicContact CG-CD2 4.17Å; W292-F317 AromaticContact CG-CE2 4Å; W292-F317 HydrophobicContact CG-CE2 4Å; W292-F317 HydrophobicContact CZ2-CE2 4.33Å; W292-F317 AromaticContact NE1-CD2 3.71Å; W292-F317 AromaticContact NE1-CE2 3.9Å; I313-F317 HydrophobicContact CG2-CD2 4.18Å; I313-F317 HydrophobicContact CG2-CE1 4.48Å; I313-F317 HydrophobicContact CG2-CE2 3.52Å; I313-F317 HydrophobicContact CG2-CZ 3.7Å; I313-F317 PolarHBondContact O-N 3.23Å; D314-F317 PolarHBondContact O-N 2.88Å; F317-A320 PolarHBondContact O-N 3.22Å; F317-Q321 WeakPolarHBondContact O-CB 3.32Å; F317-Q321 WeakPolarHBondContact O-CG 3.4Å; F317-Q321 PolarHBondContact O-N 3.49Å; F317-W344 HydrophobicContact CB-CH2 4.5Å; F317-W344 HydrophobicContact CD1-CH2 4.21Å; F317-E411 HydrophobicContact CD1-CB 4.15Å; F317-E411 WeakPolarHBondContact CD1-OE2 3.45Å; F317-E411 WeakPolarHBondContact CE1-O 3.45Å; F317-E411 WeakPolarHBondContact CE1-OE2 3.16Å; F317-F414 HydrophobicContact CE1-CB 4.2Å; F317-F414 AromaticContact CE1-CD1 3.62Å; F317-F414 HydrophobicContact CE1-CD1 3.62Å; F317-F414 HydrophobicContact CE1-CE1 4.39Å; F317-F414 HydrophobicContact CE1-CG 4.22Å; F317-F414 AromaticContact CZ-CD1 3.73Å; F317-F414 HydrophobicContact CZ-CD1 3.73Å; F317-F414 HydrophobicContact CZ-CE1 4.19Å; F317-F414 HydrophobicContact CZ-CG 4.27Å; F317-Q415 HydrophobicContact CD1-CB 4.38Å; F317-Q415 HydrophobicContact CD2-CG 4.32Å; F317-Q415 HydrophobicContact CE1-CB 3.86Å; F317-Q415 HydrophobicContact CE1-CG 4.48Å; F317-Q415 HydrophobicContact CE2-CB 4.2Å; F317-Q415 HydrophobicContact CE2-CG 3.98Å; F317-Q415 HydrophobicContact CZ-CB 3.76Å; F317-Q415 HydrophobicContact CZ-CG 4.07Å; F317-L418 HydrophobicContact CE2-CD1 4.27Å; F317-L418 HydrophobicContact CZ-CD1 3.96Å
318S97.6Very high96.8Very high56 Ų5646.5 Ų46.539%0.39224%0.243SC..Hα-helixtrans-62.4-45.9178.2-65.90000112.1D314 H315 Q321 A322D314-S318 PolarHBondContact O-N 3.07Å; D314-S318 PolarHBondContact O-OG 3.48Å; D314-S318 VanDerWaalsContact O-OG 3.12Å; H315-S318 WeakPolarHBondContact O-CB 3.43Å; H315-S318 PolarHBondContact O-N 2.87Å; S318-Q321 PolarHBondContact O-N 3.24Å; S318-A322 WeakPolarHBondContact O-CB 3.31Å; S318-A322 PolarHBondContact O-N 2.81Å
319I97.5Very high96.7Very high25 Ų2541.8 Ų41.813%0.12823%0.226CC..Hα-helixtrans-60.1-51176.3-68.1162.4000109.8Y21 N24 H315 G316 Q321 A322 L323Y21-I319 HydrophobicContact CD2-CB 4.41Å; Y21-I319 HydrophobicContact CD2-CG2 4.01Å; Y21-I319 HydrophobicContact CG-CG2 4.38Å; N24-I319 HydrophobicContact CB-CD1 3.76Å; H315-I319 VanDerWaalsContact CD2-CD1 3.4Å; H315-I319 WeakPolarHBondContact CD2-CD1 3.49Å; H315-I319 WeakPolarHBondContact NE2-CD1 3.36Å; H315-I319 VanDerWaalsContact O-CG1 3.28Å; H315-I319 WeakPolarHBondContact O-CG1 3.47Å; H315-I319 PolarHBondContact O-N 3.22Å; G316-I319 PolarHBondContact O-N 3.12Å; I319-Q321 VanDerWaalsContact C-N 3.31Å; I319-Q321 PolarHBondContact O-N 3Å; I319-A322 PolarHBondContact O-N 3.15Å; I319-L323 WeakPolarHBondContact O-CB 3.22Å; I319-L323 PolarHBondContact O-N 3.33Å
320A97.2Very high96.5Very high0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-60.5-41-177.300000112.2G316 F317 W344 L408 E411G316-A320 WeakPolarHBondContact O-CB 3.36Å; G316-A320 PolarHBondContact O-N 3.04Å; F317-A320 PolarHBondContact O-N 3.22Å; A320-W344 HydrophobicContact CB-CZ3 4.26Å; A320-L408 HydrophobicContact CB-CD2 4.47Å; A320-L408 WeakPolarHBondContact O-CD2 3.25Å; A320-E411 HydrophobicContact CB-CB 3.96Å; A320-E411 HydrophobicContact CB-CG 3.71Å
321Q96.8Very high96.3Very high75 Ų7550.3 Ų50.335%0.3528%0.278SS..Hα-helixtrans-76-25.8178.8-70.6-177.573.600114F317 S318 I319 R340 W344F317-Q321 WeakPolarHBondContact O-CB 3.32Å; F317-Q321 WeakPolarHBondContact O-CG 3.4Å; F317-Q321 PolarHBondContact O-N 3.49Å; S318-Q321 PolarHBondContact O-N 3.24Å; I319-Q321 VanDerWaalsContact C-N 3.31Å; I319-Q321 PolarHBondContact O-N 3Å; Q321-R340 PolarHBondContact O-NH1 2.93Å; Q321-W344 HydrophobicContact CG-CD2 3.89Å; Q321-W344 HydrophobicContact CG-CE3 3.77Å; Q321-W344 HydrophobicContact CG-CH2 3.82Å; Q321-W344 HydrophobicContact CG-CZ2 3.92Å; Q321-W344 HydrophobicContact CG-CZ3 3.73Å
322A97.3Very high96.2Very high69 Ų6950 Ų5057%0.5729%0.285SS*.Hα-helixtrans-97.3-26.9-177.800000113.8S318 I319 T324S318-A322 WeakPolarHBondContact O-CB 3.31Å; S318-A322 PolarHBondContact O-N 2.81Å; I319-A322 PolarHBondContact O-N 3.15Å; A322-T324 PolarHBondContact O-N 3.45Å
323L96.9Very high96Very high36 Ų3656.4 Ų56.419%0.18832%0.32CS..  trans-57.2127.4-173.7-176.165.7000110.5H18 I319 Y325 R340 H404 M407H18-L323 HydrophobicContact CB-CD2 4.02Å; I319-L323 WeakPolarHBondContact O-CB 3.22Å; I319-L323 PolarHBondContact O-N 3.33Å; L323-Y325 HydrophobicContact CD1-CE1 4.3Å; L323-Y325 HydrophobicContact CD1-CE2 4.25Å; L323-Y325 HydrophobicContact CD2-CE2 4.32Å; L323-Y325 HydrophobicContact CG-CE2 4.24Å; L323-R340 WeakPolarHBondContact O-CD 3.47Å; L323-R340 PolarHBondContact O-NH1 2.91Å; L323-H404 PolarHBondContact O-CE1 2.98Å; L323-H404 PolarHBondContact O-NE2 2.9Å; L323-M407 HydrophobicContact CD2-CE 3.83Å
324T96.7Very high95.8Very high49 Ų4957.2 Ų57.230%0.30133%0.325SS..  trans-157.1141.1172.2-176.80000109.1A322 K326 T336A322-T324 PolarHBondContact O-N 3.45Å; T324-K326 HydrophobicContact CG2-CG 4.5Å; T324-K326 PolarHBondContact OG1-N 3.42Å; T324-K326 VanDerWaalsContact OG1-N 3.07Å; T324-T336 PolarHBondContact OG1-OG1 2.97Å
325Y95.7Very high95.7Very high112 Ų11258.9 Ų58.944%0.43933%0.334SS..  trans-103.57.6169.5-55.7-72.4000111.5H18 L323 T327H18-Y325 AromaticContact CE1-CE2 3.61Å; H18-Y325 AromaticContact ND1-CE2 3.32Å; H18-Y325 VanDerWaalsContact ND1-CE2 3.32Å; H18-Y325 WeakPolarHBondContact ND1-CE2 3.29Å; H18-Y325 AromaticContact ND1-CZ 3.59Å; H18-Y325 PolarHBondContact ND1-OH 3.17Å; L323-Y325 HydrophobicContact CD1-CE1 4.3Å; L323-Y325 HydrophobicContact CD1-CE2 4.25Å; L323-Y325 HydrophobicContact CD2-CE2 4.32Å; L323-Y325 HydrophobicContact CG-CE2 4.24Å; Y325-T327 PolarHBondContact O-N 3.47Å
326K96.2Very high95.6Very high125 Ų12554.5 Ų54.554%0.54331%0.314SS..SBendtrans5336.3-172.7-56.1-177.8179.1-177.70113T324 A332 D333 V334T324-K326 HydrophobicContact CG2-CG 4.5Å; T324-K326 PolarHBondContact OG1-N 3.42Å; T324-K326 VanDerWaalsContact OG1-N 3.07Å; K326-A332 CarbonylContact O-C 3.56Å; K326-D333 PolarHBondContact O-N 3.02Å; K326-V334 CarbonylContact C-O 3.49Å; K326-V334 WeakPolarHBondContact CA-O 3.47Å; K326-V334 PolarHBondContact O-N 3.37Å
327T95.3Very high95.5Very high53 Ų5357.1 Ų57.133%0.32533%0.33SS..  trans-120.4152.7177.162.50000111.1Y325 H331 T336 E401Y325-T327 PolarHBondContact O-N 3.47Å; T327-H331 CarbonylContact C-O 3.47Å; T327-H331 VanDerWaalsContact CA-O 3.24Å; T327-H331 WeakPolarHBondContact CA-O 3.49Å; T327-T336 VanDerWaalsContact O-CG2 3.31Å; T327-T336 WeakPolarHBondContact O-CG2 3.15Å; T327-E401 VanDerWaalsContact C-OE1 3.26Å; T327-E401 PolarHBondContact OG1-OE1 3.11Å
328M94.3Very high95.4Very high4 Ų458.2 Ų58.22%0.0234%0.335CS..BIsolated β-bridgetrans-146.9105.6164.9-178.6169.5-80.500109.3V204 L207 L208 L211 S330 H331 V334 T336 Y339 F397 E401V204-M328 HydrophobicContact CG1-CG 4.1Å; V204-M328 HydrophobicContact CG2-CG 4.36Å; L207-M328 HydrophobicContact CD2-CE 3.92Å; L207-M328 HydrophobicContact CD2-SD 3.6Å; L207-M328 VanDerWaalsContact CD2-SD 3.6Å; L207-M328 HydrophobicContact CG-CE 4.45Å; L207-M328 HydrophobicContact CG-SD 3.91Å; L208-M328 HydrophobicContact CD2-CB 4.2Å; L208-M328 HydrophobicContact CD2-CG 4.42Å; L208-M328 HydrophobicContact CD2-SD 3.93Å; L208-M328 HydrophobicContact CG-SD 4.39Å; L211-M328 HydrophobicContact CD1-CE 3.75Å; L211-M328 HydrophobicContact CD1-SD 3.89Å; M328-S330 PolarHBondContact O-N 2.88Å; M328-H331 PolarHBondContact N-O 3.12Å; M328-H331 PolarHBondContact O-N 3.32Å; M328-V334 HydrophobicContact CB-CG1 4.27Å; M328-T336 HydrophobicContact CB-CG2 4.45Å; M328-T336 HydrophobicContact CE-CG2 4.18Å; M328-Y339 HydrophobicContact CE-CD1 4.11Å; M328-Y339 HydrophobicContact CE-CD2 4.37Å; M328-Y339 HydrophobicContact CE-CG 3.96Å; M328-F397 HydrophobicContact CE-CZ 4.17Å; M328-F397 HydrophobicContact CG-CE1 4.28Å; M328-F397 HydrophobicContact CG-CZ 4.26Å; M328-F397 HydrophobicContact SD-CZ 4.42Å; M328-E401 WeakPolarHBondContact CA-OE1 3.48Å; M328-E401 PolarHBondContact N-OE1 3.35Å
329G92.4Very high95.3Very high19 Ų1956 Ų5620%0.19632%0.318CS..THydrogen-bonded Turntrans64.7-124.6-175.200000111.1H331 D396 E401G329-H331 VanDerWaalsContact C-N 3.29Å; G329-H331 PolarHBondContact O-N 3.49Å; G329-D396 WeakPolarHBondContact CA-O 3.17Å; G329-E401 PolarHBondContact N-OE1 3.5Å; G329-E401 PolarHBondContact N-OE2 3.44Å; G329-E401 VanDerWaalsContact N-OE2 3.1Å
330S91.1Very high95.3Very high114 Ų11455.7 Ų55.780%0.79732%0.315SS*.THydrogen-bonded Turntrans-83.53176.657.60000114.6M328M328-S330 PolarHBondContact O-N 2.88Å
331H93.7Very high95.3Very high74 Ų7458.2 Ų58.234%0.34333%0.331SS..BIsolated β-bridgetrans-102.7134-175.9-60.4-94.5000111.5L208 T327 M328 G329 V334L208-H331 HydrophobicContact CD1-CB 3.98Å; L208-H331 VanDerWaalsContact CD1-CD2 3.42Å; L208-H331 WeakPolarHBondContact CD1-CD2 3.45Å; L208-H331 VanDerWaalsContact CD1-CG 3.46Å; T327-H331 CarbonylContact C-O 3.47Å; T327-H331 VanDerWaalsContact CA-O 3.24Å; T327-H331 WeakPolarHBondContact CA-O 3.49Å; M328-H331 PolarHBondContact N-O 3.12Å; M328-H331 PolarHBondContact O-N 3.32Å; G329-H331 VanDerWaalsContact C-N 3.29Å; G329-H331 PolarHBondContact O-N 3.49Å; H331-V334 HydrophobicContact CB-CG2 3.89Å
332A93.6Very high95.4Very high69 Ų6954.6 Ų54.657%0.5731%0.314SS*.  trans-103.6170.4172.500000111.2K326 V334K326-A332 CarbonylContact O-C 3.56Å; A332-V334 VanDerWaalsContact C-N 3.26Å; A332-V334 PolarHBondContact O-N 3.29Å
333D94.2Very high95.4Very high150 Ų15051.3 Ų51.380%0.80229%0.287SS*.SBendtrans56.934.2-178.7-59.3-47.7000114.6K326K326-D333 PolarHBondContact O-N 3.02Å
334V93.9Very high95.5Very high19 Ų1950 Ų5012%0.11528%0.279CS..  trans-97125179-177.80000110.4L208 L211 K326 M328 H331 A332 T336L208-V334 HydrophobicContact CD2-CB 4.29Å; L208-V334 HydrophobicContact CD2-CG1 3.47Å; L208-V334 VanDerWaalsContact CD2-CG1 3.47Å; L208-V334 HydrophobicContact CD2-CG2 3.77Å; L211-V334 HydrophobicContact CD1-CG1 4.49Å; K326-V334 CarbonylContact C-O 3.49Å; K326-V334 WeakPolarHBondContact CA-O 3.47Å; K326-V334 PolarHBondContact O-N 3.37Å; M328-V334 HydrophobicContact CB-CG1 4.27Å; H331-V334 HydrophobicContact CB-CG2 3.89Å; A332-V334 VanDerWaalsContact C-N 3.26Å; A332-V334 PolarHBondContact O-N 3.29Å; V334-T336 HydrophobicContact CB-CG2 4.42Å; V334-T336 HydrophobicContact CG1-CG2 4.04Å; V334-T336 PolarHBondContact O-N 3.3Å
335D94.9Very high95.5Very high82 Ų8248 Ų4844%0.43927%0.267SS..  trans-76.2103.6166.2-174.20.7000110.5T337D335-T337 VanDerWaalsContact C-N 3.35Å; D335-T337 WeakPolarHBondContact OD1-CB 3.49Å; D335-T337 PolarHBondContact OD1-N 3.22Å; D335-T337 PolarHBondContact OD1-OG1 2.84Å
336T95.7Very high95.6Very high10 Ų1042.7 Ų42.76%0.06125%0.246CC..  trans-89.83.8-179.159.80000113.7T324 T327 M328 V334 K338 Y339 R340T324-T336 PolarHBondContact OG1-OG1 2.97Å; T327-T336 VanDerWaalsContact O-CG2 3.31Å; T327-T336 WeakPolarHBondContact O-CG2 3.15Å; M328-T336 HydrophobicContact CB-CG2 4.45Å; M328-T336 HydrophobicContact CE-CG2 4.18Å; V334-T336 HydrophobicContact CB-CG2 4.42Å; V334-T336 HydrophobicContact CG1-CG2 4.04Å; V334-T336 PolarHBondContact O-N 3.3Å; T336-K338 PolarHBondContact O-N 3.45Å; T336-Y339 WeakPolarHBondContact O-CB 3.47Å; T336-Y339 PolarHBondContact O-N 2.82Å; T336-Y339 VanDerWaalsContact O-N 3.09Å; T336-R340 WeakPolarHBondContact O-CG 3.28Å; T336-R340 PolarHBondContact O-N 2.97Å; T336-R340 PolarHBondContact OG1-NE 3.49Å
337T95.9Very high95.7Very high56 Ų5636.7 Ų36.734%0.34422%0.22SC..Hα-helixtrans-56.1-48.4-171.9-58.20000112.4D335 Y339 R340 V341D335-T337 VanDerWaalsContact C-N 3.35Å; D335-T337 WeakPolarHBondContact OD1-CB 3.49Å; D335-T337 PolarHBondContact OD1-N 3.22Å; D335-T337 PolarHBondContact OD1-OG1 2.84Å; T337-Y339 VanDerWaalsContact C-N 3.32Å; T337-Y339 PolarHBondContact O-N 3.41Å; T337-R340 PolarHBondContact O-N 3.49Å; T337-R340 PolarHBondContact OG1-NH2 3.3Å; T337-R340 VanDerWaalsContact OG1-NH2 3.1Å; T337-V341 HydrophobicContact CG2-CG2 4.21Å; T337-V341 WeakPolarHBondContact O-CB 3.33Å; T337-V341 VanDerWaalsContact O-CG2 3.3Å; T337-V341 WeakPolarHBondContact O-CG2 3.3Å; T337-V341 PolarHBondContact O-N 3.48Å
338K95.9Very high95.8Very high25 Ų2534.2 Ų34.211%0.10920%0.204CC..Hα-helixtrans-61.5-37.4178-71.1-167175.3-84.30113.4L211 L214 N215 S219 T336 A342 E362 L366L211-K338 HydrophobicContact CD2-CB 3.9Å; L214-K338 HydrophobicContact CB-CD 3.47Å; L214-K338 VanDerWaalsContact CB-CD 3.47Å; L214-K338 HydrophobicContact CD1-CD 4.43Å; L214-K338 WeakPolarHBondContact O-CE 3.45Å; N215-K338 VanDerWaalsContact OD1-CD 3.31Å; N215-K338 WeakPolarHBondContact OD1-CD 3.32Å; N215-K338 WeakPolarHBondContact OD1-CE 3.35Å; S219-K338 PolarHBondContact OG-NZ 3.02Å; T336-K338 PolarHBondContact O-N 3.45Å; K338-A342 WeakPolarHBondContact O-CB 3.42Å; K338-A342 PolarHBondContact O-N 2.94Å; K338-E362 IonicContact NZ-OE1 2.74Å; K338-E362 PolarHBondContact NZ-OE1 3.02Å; K338-E362 IonicContact NZ-OE2 3.65Å; K338-L366 HydrophobicContact CB-CD1 3.99Å; K338-L366 WeakPolarHBondContact O-CD1 3.49Å
339Y96.8Very high95.8Very high9 Ų934 Ų344%0.03520%0.203CC..Hα-helixtrans-65.1-47.4175.1-177.3-98.4000111.7L207 M328 T336 T337 A342 V343 L366 L367 M371 F397 V405L207-Y339 HydrophobicContact CD1-CD2 4.06Å; L207-Y339 HydrophobicContact CD1-CE2 4.32Å; L207-Y339 HydrophobicContact CD2-CD2 3.99Å; L207-Y339 HydrophobicContact CD2-CE2 3.79Å; M328-Y339 HydrophobicContact CE-CD1 4.11Å; M328-Y339 HydrophobicContact CE-CD2 4.37Å; M328-Y339 HydrophobicContact CE-CG 3.96Å; T336-Y339 WeakPolarHBondContact O-CB 3.47Å; T336-Y339 PolarHBondContact O-N 2.82Å; T336-Y339 VanDerWaalsContact O-N 3.09Å; T337-Y339 VanDerWaalsContact C-N 3.32Å; T337-Y339 PolarHBondContact O-N 3.41Å; Y339-A342 PolarHBondContact O-N 3.46Å; Y339-V343 HydrophobicContact CD1-CG2 4.35Å; Y339-V343 HydrophobicContact CE1-CG2 3.97Å; Y339-V343 WeakPolarHBondContact O-CG2 3.14Å; Y339-V343 PolarHBondContact O-N 2.94Å; Y339-L366 HydrophobicContact CD2-CB 4.43Å; Y339-L367 HydrophobicContact CD2-CD2 4.1Å; Y339-L367 HydrophobicContact CE2-CD2 3.59Å; Y339-M371 WeakPolarHBondContact OH-CE 3.4Å; Y339-F397 AromaticContact CE1-CE2 4Å; Y339-F397 HydrophobicContact CE1-CE2 4Å; Y339-F397 HydrophobicContact CE1-CZ 4.26Å; Y339-F397 AromaticContact CZ-CZ 3.98Å; Y339-V405 HydrophobicContact CE1-CG2 4.08Å
340R97.9Very high96Very high19 Ų1933.1 Ų33.17%0.07219%0.194CC..Hα-helixtrans-63.7-43.3-179.5-64.8179.7-59.6102.44.6111.5Q321 L323 T336 T337 V343 W344 L408Q321-R340 PolarHBondContact O-NH1 2.93Å; L323-R340 WeakPolarHBondContact O-CD 3.47Å; L323-R340 PolarHBondContact O-NH1 2.91Å; T336-R340 WeakPolarHBondContact O-CG 3.28Å; T336-R340 PolarHBondContact O-N 2.97Å; T336-R340 PolarHBondContact OG1-NE 3.49Å; T337-R340 PolarHBondContact O-N 3.49Å; T337-R340 PolarHBondContact OG1-NH2 3.3Å; T337-R340 VanDerWaalsContact OG1-NH2 3.1Å; R340-V343 PolarHBondContact O-N 3.28Å; R340-W344 WeakPolarHBondContact O-CB 3.34Å; R340-W344 PolarHBondContact O-N 3.36Å; R340-L408 HydrophobicContact CB-CD1 4.06Å; R340-L408 HydrophobicContact CG-CD1 4.13Å
341V97.2Very high96.2Very high53 Ų5327.7 Ų27.732%0.32116%0.156SC..Hα-helixtrans-64-41174.4173.20000111.4T337 V343 W344 N345 Y358T337-V341 HydrophobicContact CG2-CG2 4.21Å; T337-V341 WeakPolarHBondContact O-CB 3.33Å; T337-V341 VanDerWaalsContact O-CG2 3.3Å; T337-V341 WeakPolarHBondContact O-CG2 3.3Å; T337-V341 PolarHBondContact O-N 3.48Å; V341-V343 PolarHBondContact O-N 3.09Å; V341-W344 PolarHBondContact O-N 3.44Å; V341-N345 WeakPolarHBondContact CG1-ND2 3.4Å; V341-N345 VanDerWaalsContact O-CB 3.32Å; V341-N345 WeakPolarHBondContact O-CB 3.47Å; V341-N345 PolarHBondContact O-N 2.99Å; V341-Y358 HydrophobicContact CG1-CD2 4.03Å; V341-Y358 HydrophobicContact CG1-CE2 3.61Å
342A97.4Very high96.2Very high0 Ų024.1 Ų24.10%014%0.14CC..Hα-helixtrans-62.5-42176.100000112.4K338 Y339 Y346 Y358 V363 L366 L367K338-A342 WeakPolarHBondContact O-CB 3.42Å; K338-A342 PolarHBondContact O-N 2.94Å; Y339-A342 PolarHBondContact O-N 3.46Å; A342-Y346 WeakPolarHBondContact O-CB 3.44Å; A342-Y346 PolarHBondContact O-N 3.49Å; A342-Y358 WeakPolarHBondContact CA-OH 3.37Å; A342-V363 HydrophobicContact CB-CG2 4.35Å; A342-L366 HydrophobicContact CB-CB 4.32Å; A342-L366 HydrophobicContact CB-CD1 3.95Å; A342-L367 HydrophobicContact CB-CG 4.48Å
343V98.2Very high96.4Very high0 Ų020.9 Ų20.90%011%0.113CC..Hα-helixtrans-59.8-53.6173.4171.10000110.2Y339 R340 V341 Y346 I347 L367 I375 V405 L408Y339-V343 HydrophobicContact CD1-CG2 4.35Å; Y339-V343 HydrophobicContact CE1-CG2 3.97Å; Y339-V343 WeakPolarHBondContact O-CG2 3.14Å; Y339-V343 PolarHBondContact O-N 2.94Å; R340-V343 PolarHBondContact O-N 3.28Å; V341-V343 PolarHBondContact O-N 3.09Å; V343-Y346 PolarHBondContact O-N 3.36Å; V343-I347 HydrophobicContact CG1-CD1 3.77Å; V343-I347 WeakPolarHBondContact O-CD1 3.42Å; V343-I347 WeakPolarHBondContact O-CG1 3.49Å; V343-I347 PolarHBondContact O-N 3.24Å; V343-I347 VanDerWaalsContact O-N 3.09Å; V343-L367 HydrophobicContact CG2-CD1 4.35Å; V343-L367 HydrophobicContact CG2-CD2 3.85Å; V343-I375 HydrophobicContact CG1-CD1 4.2Å; V343-I375 HydrophobicContact CG2-CD1 4.2Å; V343-V405 HydrophobicContact CG1-CG1 4.31Å; V343-L408 HydrophobicContact CB-CD1 4.35Å; V343-L408 HydrophobicContact CG1-CB 4Å; V343-L408 HydrophobicContact CG1-CD1 4.2Å
344W98.4Very high96.4Very high7 Ų714.4 Ų14.43%0.0278%0.077CC..Hα-helixtrans-56.4-53.5-179-173.9-87000112.3F317 A320 Q321 R340 V341 Y346 I347 L348 L408 E411 A412 Q415F317-W344 HydrophobicContact CB-CH2 4.5Å; F317-W344 HydrophobicContact CD1-CH2 4.21Å; A320-W344 HydrophobicContact CB-CZ3 4.26Å; Q321-W344 HydrophobicContact CG-CD2 3.89Å; Q321-W344 HydrophobicContact CG-CE3 3.77Å; Q321-W344 HydrophobicContact CG-CH2 3.82Å; Q321-W344 HydrophobicContact CG-CZ2 3.92Å; Q321-W344 HydrophobicContact CG-CZ3 3.73Å; R340-W344 WeakPolarHBondContact O-CB 3.34Å; R340-W344 PolarHBondContact O-N 3.36Å; V341-W344 PolarHBondContact O-N 3.44Å; W344-Y346 VanDerWaalsContact C-N 3.32Å; W344-Y346 PolarHBondContact O-N 3.23Å; W344-I347 PolarHBondContact O-N 3.45Å; W344-I347 VanDerWaalsContact O-N 3.15Å; W344-L348 VanDerWaalsContact NE1-CD1 3.32Å; W344-L348 PolarHBondContact O-N 3.06Å; W344-L408 HydrophobicContact CE3-CD2 3.97Å; W344-L408 HydrophobicContact CZ3-CD2 4.5Å; W344-E411 HydrophobicContact CH2-CB 3.9Å; W344-E411 HydrophobicContact CZ3-CB 3.67Å; W344-A412 HydrophobicContact CD2-CB 3.71Å; W344-A412 HydrophobicContact CE3-CB 3.73Å; W344-A412 HydrophobicContact CG-CB 4.21Å; W344-A412 HydrophobicContact CH2-CB 4.35Å; W344-A412 HydrophobicContact CZ2-CB 4.34Å; W344-A412 HydrophobicContact CZ3-CB 4.06Å; W344-Q415 HydrophobicContact CZ2-CB 4.39Å
345N97.4Very high96.3Very high8 Ų815.3 Ų15.34%0.0438%0.079CC..Hα-helixtrans-68.4-30.6-177.3-73.1-7.7000112.6V341 S349 Y358 Y360V341-N345 WeakPolarHBondContact CG1-ND2 3.4Å; V341-N345 VanDerWaalsContact O-CB 3.32Å; V341-N345 WeakPolarHBondContact O-CB 3.47Å; V341-N345 PolarHBondContact O-N 2.99Å; N345-S349 WeakPolarHBondContact O-CB 3.46Å; N345-S349 PolarHBondContact O-N 3.22Å; N345-Y358 HydrophobicContact CB-CD1 3.9Å; N345-Y358 HydrophobicContact CB-CE1 3.72Å; N345-Y358 WeakPolarHBondContact ND2-CD1 3.49Å; N345-Y358 WeakPolarHBondContact ND2-CD2 3.47Å; N345-Y358 WeakPolarHBondContact ND2-CE1 3.45Å; N345-Y360 HydrophobicContact CB-CE1 4.16Å
346Y97.5Very high96Very high0 Ų013.2 Ų13.20%07%0.068CC..Hα-helixtrans-67-39172.2175.1-123.1000112.1V235 H236 Q239 A342 V343 W344 S349 L350 V363 L367 K372 I375V235-Y346 HydrophobicContact CG1-CD2 3.53Å; V235-Y346 HydrophobicContact CG1-CE2 3.9Å; H236-Y346 AromaticContact CE1-CE2 3.89Å; Q239-Y346 VanDerWaalsContact NE2-CE2 3.27Å; Q239-Y346 VanDerWaalsContact NE2-CZ 3.29Å; Q239-Y346 PolarHBondContact NE2-OH 2.89Å; Q239-Y346 PolarHBondContact OE1-OH 2.85Å; A342-Y346 WeakPolarHBondContact O-CB 3.44Å; A342-Y346 PolarHBondContact O-N 3.49Å; V343-Y346 PolarHBondContact O-N 3.36Å; W344-Y346 VanDerWaalsContact C-N 3.32Å; W344-Y346 PolarHBondContact O-N 3.23Å; Y346-S349 PolarHBondContact O-N 3.06Å; Y346-S349 PolarHBondContact O-OG 3.38Å; Y346-L350 HydrophobicContact CE1-CD1 4.15Å; Y346-L350 HydrophobicContact CE2-CD1 4.5Å; Y346-L350 HydrophobicContact CE2-CD2 4.02Å; Y346-L350 HydrophobicContact CE2-CG 4.09Å; Y346-L350 WeakPolarHBondContact O-CG 2.89Å; Y346-L350 PolarHBondContact O-N 3.34Å; Y346-V363 HydrophobicContact CD2-CG1 4Å; Y346-V363 HydrophobicContact CG-CG1 3.95Å; Y346-L367 HydrophobicContact CD1-CD1 3.87Å; Y346-L367 HydrophobicContact CG-CD1 4.13Å; Y346-K372 HydrophobicContact CE1-CB 3.97Å; Y346-K372 HydrophobicContact CE1-CG 4Å; Y346-K372 HydrophobicContact CE2-CG 4.45Å; Y346-K372 PolarHBondContact OH-O 3.39Å; Y346-I375 HydrophobicContact CD1-CB 4.12Å; Y346-I375 HydrophobicContact CD1-CD1 4.02Å; Y346-I375 HydrophobicContact CD1-CG2 3.68Å; Y346-I375 HydrophobicContact CE1-CB 3.84Å; Y346-I375 HydrophobicContact CE1-CD1 4.37Å; Y346-I375 HydrophobicContact CE1-CG2 3.69Å
347I97.8Very high95.7Very high0 Ų017.4 Ų17.40%09%0.089CC..Hα-helixtrans-64.7-46.3175.2-62.9147.3000110.3V343 W344 S349 L350 F351 I375 A379 I409 A412 R413V343-I347 HydrophobicContact CG1-CD1 3.77Å; V343-I347 WeakPolarHBondContact O-CD1 3.42Å; V343-I347 WeakPolarHBondContact O-CG1 3.49Å; V343-I347 PolarHBondContact O-N 3.24Å; V343-I347 VanDerWaalsContact O-N 3.09Å; W344-I347 PolarHBondContact O-N 3.45Å; W344-I347 VanDerWaalsContact O-N 3.15Å; I347-S349 VanDerWaalsContact C-N 3.29Å; I347-S349 PolarHBondContact O-N 3.07Å; I347-L350 WeakPolarHBondContact O-CB 3.44Å; I347-L350 PolarHBondContact O-N 2.51Å; I347-F351 HydrophobicContact CG2-CD2 4.38Å; I347-F351 HydrophobicContact CG2-CE2 4.09Å; I347-F351 WeakPolarHBondContact O-CD2 3.47Å; I347-F351 PolarHBondContact O-N 3.38Å; I347-I375 HydrophobicContact CD1-CG2 4.2Å; I347-I375 HydrophobicContact CG1-CG2 3.43Å; I347-I375 VanDerWaalsContact CG1-CG2 3.43Å; I347-A379 HydrophobicContact CG2-CB 4.21Å; I347-I409 HydrophobicContact CD1-CB 4.28Å; I347-I409 HydrophobicContact CD1-CG1 3.95Å; I347-A412 HydrophobicContact CB-CB 3.83Å; I347-A412 HydrophobicContact CD1-CB 3.88Å; I347-A412 HydrophobicContact CG1-CB 4.5Å; I347-A412 HydrophobicContact CG2-CB 3.71Å; I347-R413 HydrophobicContact CG2-CB 4.43Å
348L97.3Very high95.6Very high0 Ų016 Ų160%08%0.078CC..Hα-helixtrans-60.8-38.9176.2-68.8-175000112W344 L350 F351 G352 I353 Y355 A412 A416W344-L348 VanDerWaalsContact NE1-CD1 3.32Å; W344-L348 PolarHBondContact O-N 3.06Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L348-L350 PolarHBondContact O-N 2.92Å; L348-F351 CarbonylContact O-C 3.56Å; L348-F351 PolarHBondContact O-N 3.43Å; L348-F351 VanDerWaalsContact O-N 3.08Å; L348-G352 PolarHBondContact O-N 3.39Å; L348-I353 CarbonylContact C-O 3.43Å; L348-I353 HydrophobicContact CB-CB 4.1Å; L348-I353 HydrophobicContact CB-CG2 4.4Å; L348-I353 HydrophobicContact CD2-CD1 4.27Å; L348-I353 PolarHBondContact O-N 2.89Å; L348-Y355 HydrophobicContact CD1-CE2 3.57Å; L348-A412 HydrophobicContact CD2-CB 4.43Å; L348-A412 WeakPolarHBondContact CD2-O 3.13Å; L348-A412 HydrophobicContact CG-CB 4.48Å; L348-A416 HydrophobicContact CD2-CB 3.86Å
349S95.7Very high95.4Very high0 Ų017.4 Ų17.40%09%0.087CC..Hα-helixtrans-65.3-35.3176.283.10000112.4F232 H236 F274 N345 Y346 I347 F351 G352 I353F232-S349 VanDerWaalsContact CE2-CB 3.41Å; H236-S349 PolarHBondContact CE1-OG 3.42Å; H236-S349 PolarHBondContact NE2-OG 3.23Å; F274-S349 VanDerWaalsContact CE2-O 3.22Å; F274-S349 WeakPolarHBondContact CE2-O 3.28Å; N345-S349 WeakPolarHBondContact O-CB 3.46Å; N345-S349 PolarHBondContact O-N 3.22Å; Y346-S349 PolarHBondContact O-N 3.06Å; Y346-S349 PolarHBondContact O-OG 3.38Å; I347-S349 VanDerWaalsContact C-N 3.29Å; I347-S349 PolarHBondContact O-N 3.07Å; S349-F351 PolarHBondContact O-N 3.1Å; S349-F351 VanDerWaalsContact O-N 3.16Å; S349-G352 PolarHBondContact O-N 3.23Å; S349-I353 WeakPolarHBondContact CA-O 3.24Å; S349-I353 PolarHBondContact N-O 3.33Å
350L95.1Very high95.3Very high0 Ų017.3 Ų17.30%09%0.087CC..Hα-helixtrans-57.7-28.3172.5-69.6170.6000113Y270 Y346 I347 L348 I375 K376Y270-L350 WeakPolarHBondContact CE2-O 3.44Å; Y270-L350 PolarHBondContact OH-O 3.43Å; Y346-L350 HydrophobicContact CE1-CD1 4.15Å; Y346-L350 HydrophobicContact CE2-CD1 4.5Å; Y346-L350 HydrophobicContact CE2-CD2 4.02Å; Y346-L350 HydrophobicContact CE2-CG 4.09Å; Y346-L350 WeakPolarHBondContact O-CG 2.89Å; Y346-L350 PolarHBondContact O-N 3.34Å; I347-L350 WeakPolarHBondContact O-CB 3.44Å; I347-L350 PolarHBondContact O-N 2.51Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L348-L350 PolarHBondContact O-N 2.92Å; L350-I375 HydrophobicContact CD1-CG2 4.49Å; L350-K376 HydrophobicContact CD1-CB 3.86Å; L350-K376 HydrophobicContact CD1-CG 4.1Å; L350-K376 HydrophobicContact CD2-CB 4.18Å; L350-K376 HydrophobicContact CD2-CD 3.72Å; L350-K376 HydrophobicContact CD2-CG 3.8Å
351F95.5Very high95Very high0 Ų018 Ų180%010%0.096CC..THydrogen-bonded Turntrans-96.23.8175.2-64.5-74.9000113.5P102 W103 Y270 I347 L348 S349 A379 R413 A416 Y420P102-F351 HydrophobicContact CG-CD1 3.57Å; P102-F351 HydrophobicContact CG-CE1 4.19Å; P102-F351 HydrophobicContact CG-CG 4.34Å; W103-F351 HydrophobicContact CE3-CB 4.42Å; W103-F351 HydrophobicContact CE3-CD1 4.23Å; W103-F351 HydrophobicContact CZ3-CB 4.49Å; W103-F351 AromaticContact CZ3-CD1 3.77Å; W103-F351 HydrophobicContact CZ3-CD1 3.77Å; Y270-F351 HydrophobicContact CD2-CE1 4.32Å; Y270-F351 HydrophobicContact CE2-CE1 4.31Å; I347-F351 HydrophobicContact CG2-CD2 4.38Å; I347-F351 HydrophobicContact CG2-CE2 4.09Å; I347-F351 WeakPolarHBondContact O-CD2 3.47Å; I347-F351 PolarHBondContact O-N 3.38Å; L348-F351 CarbonylContact O-C 3.56Å; L348-F351 PolarHBondContact O-N 3.43Å; L348-F351 VanDerWaalsContact O-N 3.08Å; S349-F351 PolarHBondContact O-N 3.1Å; S349-F351 VanDerWaalsContact O-N 3.16Å; F351-A379 HydrophobicContact CE2-CB 4.4Å; F351-R413 HydrophobicContact CE2-CB 4.34Å; F351-R413 HydrophobicContact CE2-CG 4.22Å; F351-R413 HydrophobicContact CZ-CG 4.16Å; F351-A416 HydrophobicContact CB-CB 3.94Å; F351-A416 HydrophobicContact CD2-CB 3.87Å; F351-A416 HydrophobicContact CG-CB 3.98Å; F351-Y420 HydrophobicContact CB-CE2 4.39Å; F351-Y420 VanDerWaalsContact O-CE2 3.24Å; F351-Y420 WeakPolarHBondContact O-CE2 3.31Å; F351-Y420 PolarHBondContact O-OH 3.29Å
352G94.9Very high94.9Very high0 Ų016 Ų160%08%0.083CC..THydrogen-bonded Turntrans83.721.9177.200000114.9F273 T284 L285 L348 S349 Y420F273-G352 VanDerWaalsContact CE1-CA 3.44Å; F273-G352 VanDerWaalsContact CZ-CA 3.49Å; T284-G352 CarbonylContact C-O 2.9Å; T284-G352 VanDerWaalsContact CA-O 3.32Å; T284-G352 WeakPolarHBondContact CA-O 3.38Å; T284-G352 VanDerWaalsContact CG2-O 3.3Å; T284-G352 WeakPolarHBondContact CG2-O 3.49Å; L285-G352 PolarHBondContact N-O 2.84Å; L348-G352 PolarHBondContact O-N 3.39Å; S349-G352 PolarHBondContact O-N 3.23Å; G352-Y420 PolarHBondContact O-OH 3.07Å
353I95.8Very high94.8Very high0 Ų016 Ų160%08%0.083CC..EExtended strand (participates in β ladder)trans-101.3133.5176.5-58.1176000109.3L285 I287 L348 S349 A416 N419 Y420L285-I353 HydrophobicContact CB-CG1 4.26Å; L285-I353 HydrophobicContact CD2-CD1 4.45Å; L285-I353 HydrophobicContact CD2-CG1 4.22Å; L285-I353 CarbonylContact O-C 3.46Å; L285-I353 WeakPolarHBondContact O-CA 3.49Å; I287-I353 HydrophobicContact CD1-CG2 4.24Å; L348-I353 CarbonylContact C-O 3.43Å; L348-I353 HydrophobicContact CB-CB 4.1Å; L348-I353 HydrophobicContact CB-CG2 4.4Å; L348-I353 HydrophobicContact CD2-CD1 4.27Å; L348-I353 PolarHBondContact O-N 2.89Å; S349-I353 WeakPolarHBondContact CA-O 3.24Å; S349-I353 PolarHBondContact N-O 3.33Å; I353-A416 HydrophobicContact CD1-CB 3.78Å; I353-N419 HydrophobicContact CD1-CB 4.18Å; I353-Y420 HydrophobicContact CD1-CD2 4.36Å; I353-Y420 HydrophobicContact CD1-CE2 3.86Å; I353-Y420 HydrophobicContact CG1-CE2 3.77Å
354R94.8Very high94.5Very high14 Ų1418.4 Ų18.45%0.05310%0.096CC..EExtended strand (participates in β ladder)trans-130.2137.1-175.5-170-178.273.4-162.36.5113.2F232 T284 L285 I287 D356 Y360F232-R354 HydrophobicContact CD1-CG 4.46Å; F232-R354 HydrophobicContact CD2-CB 4.08Å; F232-R354 HydrophobicContact CD2-CG 3.53Å; F232-R354 HydrophobicContact CE1-CB 4.29Å; F232-R354 HydrophobicContact CE2-CB 3.6Å; F232-R354 HydrophobicContact CE2-CG 3.6Å; F232-R354 HydrophobicContact CG-CG 3.97Å; F232-R354 HydrophobicContact CZ-CB 3.73Å; F232-R354 HydrophobicContact CZ-CG 4.12Å; T284-R354 HydrophobicContact CG2-CB 3.69Å; L285-R354 PolarHBondContact O-N 3.29Å; I287-R354 PolarHBondContact N-O 3.43Å; R354-D356 IonicContact CZ-OD1 2.69Å; R354-D356 IonicContact NE-OD1 2.73Å; R354-D356 PolarHBondContact NE-OD1 2.93Å; R354-D356 IonicContact NH2-OD1 3.55Å; R354-D356 PolarHBondContact NH2-OD1 2.83Å; R354-D356 IonicContact NH2-OD2 3.11Å; R354-D356 PolarHBondContact NH2-OD2 3.38Å; R354-Y360 HydrophobicContact CG-CD2 4.5Å; R354-Y360 HydrophobicContact CG-CE2 3.69Å
355Y93.2Very high94.3Very high39 Ų3922.1 Ų22.115%0.15311%0.112CC..  trans-93.2117.9165.5-74.2-99.4000109.6I287 L348 D357 Y358 Y360I287-Y355 HydrophobicContact CB-CD1 4.2Å; I287-Y355 HydrophobicContact CB-CE1 4.19Å; I287-Y355 HydrophobicContact CB-CG 4.39Å; I287-Y355 HydrophobicContact CD1-CE1 4.36Å; I287-Y355 HydrophobicContact CD1-CE2 4.24Å; I287-Y355 HydrophobicContact CG1-CD1 4.19Å; I287-Y355 HydrophobicContact CG1-CE1 3.67Å; I287-Y355 HydrophobicContact CG1-CE2 4.27Å; I287-Y355 HydrophobicContact CG2-CD1 3.66Å; I287-Y355 HydrophobicContact CG2-CE1 4.01Å; I287-Y355 HydrophobicContact CG2-CG 4.03Å; L348-Y355 HydrophobicContact CD1-CE2 3.57Å; Y355-D357 VanDerWaalsContact C-N 3.29Å; Y355-D357 PolarHBondContact O-N 3.37Å; Y355-Y358 PolarHBondContact O-N 2.92Å; Y355-Y360 PolarHBondContact N-OH 3.17Å; Y355-Y360 WeakPolarHBondContact O-CE2 3.23Å
356D88.5Confident94.2Very high38 Ų3822 Ų2220%0.20311%0.112CC..THydrogen-bonded Turntrans-76.6-18.3-174.4-78.93000113.3K228 R354K228-D356 PolarHBondContact NZ-O 3.23Å; R354-D356 IonicContact CZ-OD1 2.69Å; R354-D356 IonicContact NE-OD1 2.73Å; R354-D356 PolarHBondContact NE-OD1 2.93Å; R354-D356 IonicContact NH2-OD1 3.55Å; R354-D356 PolarHBondContact NH2-OD1 2.83Å; R354-D356 IonicContact NH2-OD2 3.11Å; R354-D356 PolarHBondContact NH2-OD2 3.38Å
357D89.4Confident94Very high97 Ų9722.1 Ų22.152%0.51911%0.112SC..THydrogen-bonded Turntrans-93.4-6.5176.161.7-19.3000113.4P221 Y355P221-D357 WeakPolarHBondContact CD-O 3.36Å; P221-D357 WeakPolarHBondContact CG-O 3.39Å; Y355-D357 VanDerWaalsContact C-N 3.29Å; Y355-D357 PolarHBondContact O-N 3.37Å
358Y92.9Very high93.8Very high26 Ų2625.4 Ų25.410%0.10213%0.13CC..SBendtrans-92.3133.9177.8-176.6-115.5000113V341 A342 N345 Y355 Y360 E362 V363V341-Y358 HydrophobicContact CG1-CD2 4.03Å; V341-Y358 HydrophobicContact CG1-CE2 3.61Å; A342-Y358 WeakPolarHBondContact CA-OH 3.37Å; N345-Y358 HydrophobicContact CB-CD1 3.9Å; N345-Y358 HydrophobicContact CB-CE1 3.72Å; N345-Y358 WeakPolarHBondContact ND2-CD1 3.49Å; N345-Y358 WeakPolarHBondContact ND2-CD2 3.47Å; N345-Y358 WeakPolarHBondContact ND2-CE1 3.45Å; Y355-Y358 PolarHBondContact O-N 2.92Å; Y358-Y360 HydrophobicContact CD1-CD1 4.1Å; Y358-Y360 AromaticContact CD1-CD2 3.75Å; Y358-Y360 HydrophobicContact CD1-CD2 3.75Å; Y358-Y360 HydrophobicContact CD1-CE1 4.07Å; Y358-Y360 AromaticContact CD1-CE2 3.69Å; Y358-Y360 HydrophobicContact CD1-CE2 3.69Å; Y358-Y360 AromaticContact CD1-CG 3.94Å; Y358-Y360 HydrophobicContact CD1-CG 3.94Å; Y358-Y360 AromaticContact CD1-CZ 3.85Å; Y358-Y360 HydrophobicContact CE1-CD1 4.21Å; Y358-Y360 HydrophobicContact CE1-CE1 4.38Å; Y358-Y360 HydrophobicContact CE1-CG 4.29Å; Y358-Y360 HydrophobicContact CG-CE2 4.44Å; Y358-Y360 WeakPolarHBondContact O-CD2 3.43Å; Y358-Y360 PolarHBondContact O-N 3.02Å; Y358-E362 WeakPolarHBondContact CE2-OE2 3.25Å; Y358-V363 HydrophobicContact CE1-CG2 3.85Å
359N92.6Very high93.5Very high56 Ų5631.4 Ų31.430%0.29915%0.153SC..  trans-81.893.9173.1-175.22.9000111.4P221 A361 E362P221-N359 HydrophobicContact CB-CB 4.26Å; N359-A361 PolarHBondContact O-N 2.92Å; N359-A361 VanDerWaalsContact OD1-CB 3.25Å; N359-A361 WeakPolarHBondContact OD1-CB 3.39Å; N359-A361 PolarHBondContact OD1-N 3.18Å; N359-A361 VanDerWaalsContact OD1-N 3.12Å; N359-E362 HydrophobicContact CB-CG 4.23Å; N359-E362 VanDerWaalsContact O-CB 3.3Å; N359-E362 WeakPolarHBondContact O-CB 3.27Å; N359-E362 WeakPolarHBondContact O-CG 3.47Å; N359-E362 PolarHBondContact O-N 2.97Å
360Y93.8Very high93.4Very high7 Ų736.8 Ų36.83%0.02717%0.173CC..THydrogen-bonded Turntrans-61.7-13.3179.2-81.4-89.7000114.9F232 V235 N345 R354 Y355 Y358 E362 V363F232-Y360 HydrophobicContact CB-CD2 4.38Å; F232-Y360 HydrophobicContact CB-CG 4.4Å; F232-Y360 AromaticContact CD2-CD1 3.73Å; F232-Y360 HydrophobicContact CD2-CD1 3.73Å; F232-Y360 AromaticContact CD2-CD2 3.82Å; F232-Y360 HydrophobicContact CD2-CD2 3.82Å; F232-Y360 AromaticContact CD2-CE1 3.59Å; F232-Y360 HydrophobicContact CD2-CE1 3.59Å; F232-Y360 AromaticContact CD2-CE2 3.7Å; F232-Y360 HydrophobicContact CD2-CE2 3.7Å; F232-Y360 AromaticContact CD2-CG 3.85Å; F232-Y360 HydrophobicContact CD2-CG 3.85Å; F232-Y360 AromaticContact CD2-CZ 3.59Å; F232-Y360 HydrophobicContact CE2-CD1 4.32Å; F232-Y360 AromaticContact CE2-CE1 3.75Å; F232-Y360 HydrophobicContact CE2-CE1 3.75Å; F232-Y360 HydrophobicContact CE2-CE2 4.22Å; F232-Y360 AromaticContact CE2-CZ 3.71Å; V235-Y360 HydrophobicContact CG2-CD1 4.16Å; V235-Y360 HydrophobicContact CG2-CG 4.49Å; V235-Y360 WeakPolarHBondContact CG2-O 3.23Å; N345-Y360 HydrophobicContact CB-CE1 4.16Å; R354-Y360 HydrophobicContact CG-CD2 4.5Å; R354-Y360 HydrophobicContact CG-CE2 3.69Å; Y355-Y360 PolarHBondContact N-OH 3.17Å; Y355-Y360 WeakPolarHBondContact O-CE2 3.23Å; Y358-Y360 HydrophobicContact CD1-CD1 4.1Å; Y358-Y360 AromaticContact CD1-CD2 3.75Å; Y358-Y360 HydrophobicContact CD1-CD2 3.75Å; Y358-Y360 HydrophobicContact CD1-CE1 4.07Å; Y358-Y360 AromaticContact CD1-CE2 3.69Å; Y358-Y360 HydrophobicContact CD1-CE2 3.69Å; Y358-Y360 AromaticContact CD1-CG 3.94Å; Y358-Y360 HydrophobicContact CD1-CG 3.94Å; Y358-Y360 AromaticContact CD1-CZ 3.85Å; Y358-Y360 HydrophobicContact CE1-CD1 4.21Å; Y358-Y360 HydrophobicContact CE1-CE1 4.38Å; Y358-Y360 HydrophobicContact CE1-CG 4.29Å; Y358-Y360 HydrophobicContact CG-CE2 4.44Å; Y358-Y360 WeakPolarHBondContact O-CD2 3.43Å; Y358-Y360 PolarHBondContact O-N 3.02Å; Y360-E362 PolarHBondContact O-N 3.47Å; Y360-V363 HydrophobicContact CD1-CG2 4.22Å; Y360-V363 WeakPolarHBondContact O-CB 3.34Å; Y360-V363 PolarHBondContact O-N 3.01Å; Y360-V363 VanDerWaalsContact O-N 3.16Å
361A92.4Very high93.4Very high32 Ų3237.2 Ų37.226%0.26418%0.175SC..Hα-helixtrans-64.5-25.917100000112V231 N359 V363 N364 K365V231-A361 HydrophobicContact CG1-CB 3.89Å; V231-A361 VanDerWaalsContact CG1-N 3.25Å; N359-A361 PolarHBondContact O-N 2.92Å; N359-A361 VanDerWaalsContact OD1-CB 3.25Å; N359-A361 WeakPolarHBondContact OD1-CB 3.39Å; N359-A361 PolarHBondContact OD1-N 3.18Å; N359-A361 VanDerWaalsContact OD1-N 3.12Å; A361-V363 PolarHBondContact O-N 3.41Å; A361-N364 PolarHBondContact O-N 3.46Å; A361-K365 PolarHBondContact O-N 2.92Å; A361-K365 VanDerWaalsContact O-N 3.14Å
362E93.9Very high93.4Very high13 Ų1337.2 Ų37.26%0.06118%0.175CC..Hα-helixtrans-60.7-32.9174.2-65.4-170.3169.100111.9L214 K338 Y358 N359 Y360 N364 K365 L366L214-E362 HydrophobicContact CD1-CB 4.28Å; L214-E362 HydrophobicContact CD1-CG 4.15Å; L214-E362 HydrophobicContact CD2-CG 4Å; K338-E362 IonicContact NZ-OE1 2.74Å; K338-E362 PolarHBondContact NZ-OE1 3.02Å; K338-E362 IonicContact NZ-OE2 3.65Å; Y358-E362 WeakPolarHBondContact CE2-OE2 3.25Å; N359-E362 HydrophobicContact CB-CG 4.23Å; N359-E362 VanDerWaalsContact O-CB 3.3Å; N359-E362 WeakPolarHBondContact O-CB 3.27Å; N359-E362 WeakPolarHBondContact O-CG 3.47Å; N359-E362 PolarHBondContact O-N 2.97Å; Y360-E362 PolarHBondContact O-N 3.47Å; E362-N364 PolarHBondContact O-N 2.99Å; E362-K365 PolarHBondContact O-N 2.91Å; E362-L366 WeakPolarHBondContact O-CB 3.44Å; E362-L366 WeakPolarHBondContact O-CG 3.47Å; E362-L366 PolarHBondContact O-N 3.01Å
363V95.3Very high93.3Very high0 Ų038.6 Ų38.60%018%0.184CC..Hα-helixtrans-61.3-45.3176178.60000110.8V235 A342 Y346 Y358 Y360 A361 K365 L366 L367V235-V363 HydrophobicContact CG1-CB 4.2Å; V235-V363 HydrophobicContact CG1-CG1 3.62Å; V235-V363 HydrophobicContact CG2-CB 4.25Å; A342-V363 HydrophobicContact CB-CG2 4.35Å; Y346-V363 HydrophobicContact CD2-CG1 4Å; Y346-V363 HydrophobicContact CG-CG1 3.95Å; Y358-V363 HydrophobicContact CE1-CG2 3.85Å; Y360-V363 HydrophobicContact CD1-CG2 4.22Å; Y360-V363 WeakPolarHBondContact O-CB 3.34Å; Y360-V363 PolarHBondContact O-N 3.01Å; Y360-V363 VanDerWaalsContact O-N 3.16Å; A361-V363 PolarHBondContact O-N 3.41Å; V363-K365 VanDerWaalsContact C-N 3.31Å; V363-K365 PolarHBondContact O-N 3.48Å; V363-L366 PolarHBondContact O-N 3.01Å; V363-L367 HydrophobicContact CG1-CD1 3.97Å; V363-L367 HydrophobicContact CG1-CG 4.37Å; V363-L367 WeakPolarHBondContact O-CB 3.5Å; V363-L367 PolarHBondContact O-N 3.29Å
364N92.2Very high93.3Very high49 Ų4938.7 Ų38.726%0.26218%0.184SC..Hα-helixtrans-69.3-30.7179.3-65.6-17.4000112.2V235 A361 E362 K372V235-N364 WeakPolarHBondContact CA-OD1 3.35Å; A361-N364 PolarHBondContact O-N 3.46Å; E362-N364 PolarHBondContact O-N 2.99Å; N364-K372 WeakPolarHBondContact OD1-CE 3.12Å; N364-K372 PolarHBondContact OD1-NZ 2.85Å
365K93.4Very high93.5Very high86 Ų8638 Ų3837%0.37418%0.181SC..Hα-helixtrans-70.1-46.4174.1-73.4-177.2170.4-161.50111.7Q210 E213 L214 A361 E362 V363Q210-K365 PolarHBondContact NE2-O 3.35Å; Q210-K365 PolarHBondContact OE1-O 3.09Å; E213-K365 IonicContact OE1-NZ 2.85Å; E213-K365 PolarHBondContact OE1-NZ 3.04Å; L214-K365 HydrophobicContact CD1-CB 4.41Å; L214-K365 HydrophobicContact CD1-CD 4.4Å; L214-K365 HydrophobicContact CD2-CD 3.82Å; L214-K365 HydrophobicContact CG-CD 4.36Å; A361-K365 PolarHBondContact O-N 2.92Å; A361-K365 VanDerWaalsContact O-N 3.14Å; E362-K365 PolarHBondContact O-N 2.91Å; V363-K365 VanDerWaalsContact C-N 3.31Å; V363-K365 PolarHBondContact O-N 3.48Å
366L95.3Very high93.6Very high6 Ų636.6 Ų36.63%0.03118%0.176CC..Hα-helixtrans-91.2-28.4-168.9-67.2171.2000114.5L207 Q210 L211 L214 K338 Y339 A342 E362 V363L207-L366 HydrophobicContact CD1-CB 4.39Å; L207-L366 HydrophobicContact CD1-CD2 3.8Å; L207-L366 WeakPolarHBondContact CD1-O 3.3Å; Q210-L366 HydrophobicContact CB-CD2 4.21Å; L211-L366 HydrophobicContact CD2-CD1 4.22Å; L211-L366 HydrophobicContact CD2-CD2 3.63Å; L211-L366 HydrophobicContact CG-CD2 3.79Å; L214-L366 HydrophobicContact CD1-CD1 3.71Å; L214-L366 HydrophobicContact CD1-CD2 3.88Å; L214-L366 HydrophobicContact CD1-CG 3.68Å; K338-L366 HydrophobicContact CB-CD1 3.99Å; K338-L366 WeakPolarHBondContact O-CD1 3.49Å; Y339-L366 HydrophobicContact CD2-CB 4.43Å; A342-L366 HydrophobicContact CB-CB 4.32Å; A342-L366 HydrophobicContact CB-CD1 3.95Å; E362-L366 WeakPolarHBondContact O-CB 3.44Å; E362-L366 WeakPolarHBondContact O-CG 3.47Å; E362-L366 PolarHBondContact O-N 3.01Å; V363-L366 PolarHBondContact O-N 3.01Å
367L95.1Very high94Very high1 Ų135.1 Ų35.11%0.00517%0.168CC..SBendtrans-111.4105.2-177.3-50.8-173.4000110.1Y339 A342 V343 Y346 V363 M371 K372 I375Y339-L367 HydrophobicContact CD2-CD2 4.1Å; Y339-L367 HydrophobicContact CE2-CD2 3.59Å; A342-L367 HydrophobicContact CB-CG 4.48Å; V343-L367 HydrophobicContact CG2-CD1 4.35Å; V343-L367 HydrophobicContact CG2-CD2 3.85Å; Y346-L367 HydrophobicContact CD1-CD1 3.87Å; Y346-L367 HydrophobicContact CG-CD1 4.13Å; V363-L367 HydrophobicContact CG1-CD1 3.97Å; V363-L367 HydrophobicContact CG1-CG 4.37Å; V363-L367 WeakPolarHBondContact O-CB 3.5Å; V363-L367 PolarHBondContact O-N 3.29Å; L367-M371 HydrophobicContact CD2-CG 4.24Å; L367-K372 HydrophobicContact CB-CG 3.9Å; L367-K372 WeakPolarHBondContact O-CD 3.38Å; L367-K372 WeakPolarHBondContact O-CE 3.48Å; L367-I375 HydrophobicContact CD1-CD1 3.88Å
368D92.5Very high94.4Very high70 Ų7030.5 Ų30.537%0.37414%0.144SC..  trans-62.2163.5174.881.221.2000111.6R203 R370 M371 K372R203-D368 IonicContact NH1-OD2 3.74Å; R203-D368 PolarHBondContact NH1-OD2 2.87Å; D368-R370 PolarHBondContact O-N 2.79Å; D368-R370 VanDerWaalsContact O-N 3.08Å; D368-R370 WeakPolarHBondContact OD1-CA 3.44Å; D368-R370 WeakPolarHBondContact OD1-CB 3.5Å; D368-R370 PolarHBondContact OD1-N 3.34Å; D368-M371 PolarHBondContact O-N 3.44Å; D368-M371 VanDerWaalsContact O-N 3.15Å; D368-M371 PolarHBondContact OD1-N 3.47Å; D368-K372 WeakPolarHBondContact O-CG 3.2Å; D368-K372 PolarHBondContact O-N 2.99Å
369R91.8Very high94.6Very high126 Ų12629.2 Ų29.248%0.47514%0.139SC..Hα-helixtrans-52.5-35.4-179.2-176.5178.6-178.6-162.4-0.7113.1E238 S240 T373E238-R369 PolarHBondContact O-NE 2.77Å; S240-R369 PolarHBondContact OG-NH2 3.36Å; R369-T373 WeakPolarHBondContact O-CB 3.36Å; R369-T373 PolarHBondContact O-N 3.23Å; R369-T373 PolarHBondContact O-OG1 2.74Å
370R92.2Very high94.8Very high112 Ų11226.6 Ų26.642%0.42312%0.124SC..Hα-helixtrans-77-41.1-176.5-169.2-178.8-85.5-173.3-5.7110.9D368 T373 F374 S392 V393D368-R370 PolarHBondContact O-N 2.79Å; D368-R370 VanDerWaalsContact O-N 3.08Å; D368-R370 WeakPolarHBondContact OD1-CA 3.44Å; D368-R370 WeakPolarHBondContact OD1-CB 3.5Å; D368-R370 PolarHBondContact OD1-N 3.34Å; R370-T373 WeakPolarHBondContact O-CB 3.32Å; R370-T373 PolarHBondContact O-N 3.19Å; R370-F374 PolarHBondContact O-N 2.88Å; R370-S392 WeakPolarHBondContact CD-O 3.28Å; R370-S392 WeakPolarHBondContact CD-OG 3.33Å; R370-S392 PolarHBondContact NH1-O 3.21Å; R370-V393 HydrophobicContact CB-CG1 4.37Å; R370-V393 HydrophobicContact CG-CG1 3.73Å
371M95.3Very high94.9Very high9 Ų926.4 Ų26.44%0.04412%0.124CC..Hα-helixtrans-61.2-46172.5-170.561.3-169.400111.1Y339 L367 D368 T373 F374 I375 V393 M394 V405Y339-M371 WeakPolarHBondContact OH-CE 3.4Å; L367-M371 HydrophobicContact CD2-CG 4.24Å; D368-M371 PolarHBondContact O-N 3.44Å; D368-M371 VanDerWaalsContact O-N 3.15Å; D368-M371 PolarHBondContact OD1-N 3.47Å; M371-T373 VanDerWaalsContact C-N 3.34Å; M371-T373 PolarHBondContact O-N 3.49Å; M371-F374 HydrophobicContact CE-CD1 4.28Å; M371-F374 PolarHBondContact O-N 3.4Å; M371-F374 HydrophobicContact SD-CD1 4.31Å; M371-I375 HydrophobicContact CE-CD1 3.8Å; M371-I375 HydrophobicContact CE-CG1 3.92Å; M371-I375 HydrophobicContact CG-CD1 3.99Å; M371-I375 WeakPolarHBondContact O-CG1 3.48Å; M371-I375 PolarHBondContact O-N 3.32Å; M371-V393 HydrophobicContact SD-CB 4.01Å; M371-V393 HydrophobicContact SD-CG1 4.34Å; M371-M394 HydrophobicContact CE-CE 4.34Å; M371-M394 HydrophobicContact CE-CG 3.99Å; M371-M394 HydrophobicContact CE-SD 3.88Å; M371-M394 HydrophobicContact SD-CG 3.91Å; M371-V405 HydrophobicContact CE-CG1 3.61Å
372K95.6Very high95.1Very high0 Ų024.9 Ų24.90%011%0.111CC..Hα-helixtrans-56.3-46.7172.4-74.4169.6169.9-1750111.9E238 Q239 Y346 N364 L367 D368 F374 I375 K376E238-K372 IonicContact OE2-NZ 3.46Å; E238-K372 PolarHBondContact OE2-NZ 2.87Å; Q239-K372 HydrophobicContact CG-CB 4.23Å; Y346-K372 HydrophobicContact CE1-CB 3.97Å; Y346-K372 HydrophobicContact CE1-CG 4Å; Y346-K372 HydrophobicContact CE2-CG 4.45Å; Y346-K372 PolarHBondContact OH-O 3.39Å; N364-K372 WeakPolarHBondContact OD1-CE 3.12Å; N364-K372 PolarHBondContact OD1-NZ 2.85Å; L367-K372 HydrophobicContact CB-CG 3.9Å; L367-K372 WeakPolarHBondContact O-CD 3.38Å; L367-K372 WeakPolarHBondContact O-CE 3.48Å; D368-K372 WeakPolarHBondContact O-CG 3.2Å; D368-K372 PolarHBondContact O-N 2.99Å; K372-F374 VanDerWaalsContact C-N 3.35Å; K372-F374 PolarHBondContact O-N 3.17Å; K372-I375 PolarHBondContact O-N 3.28Å; K372-K376 WeakPolarHBondContact O-CB 3.49Å; K372-K376 PolarHBondContact O-N 3.12Å
373T94.4Very high95.1Very high30 Ų3026.2 Ų26.218%0.18412%0.117CC..Hα-helixtrans-59.7-44176.8-57.60000111.8R369 R370 M371 T377 L389R369-T373 WeakPolarHBondContact O-CB 3.36Å; R369-T373 PolarHBondContact O-N 3.23Å; R369-T373 PolarHBondContact O-OG1 2.74Å; R370-T373 WeakPolarHBondContact O-CB 3.32Å; R370-T373 PolarHBondContact O-N 3.19Å; M371-T373 VanDerWaalsContact C-N 3.34Å; M371-T373 PolarHBondContact O-N 3.49Å; T373-T377 WeakPolarHBondContact O-CB 3.47Å; T373-T377 PolarHBondContact O-N 3.47Å; T373-T377 PolarHBondContact O-OG1 3.31Å; T373-L389 HydrophobicContact CG2-CD1 4.27Å
374F96Very high95Very high2 Ų229.5 Ų29.51%0.00913%0.13CC..Hα-helixtrans-61.8-52.7175.9170.6-108.9000111.7A146 R370 M371 K372 K376 T377 S378 V385 L389 R390 V393 M394 N406 I409A146-F374 HydrophobicContact CB-CE2 4.44Å; A146-F374 HydrophobicContact CB-CZ 4.01Å; R370-F374 PolarHBondContact O-N 2.88Å; M371-F374 HydrophobicContact CE-CD1 4.28Å; M371-F374 PolarHBondContact O-N 3.4Å; M371-F374 HydrophobicContact SD-CD1 4.31Å; K372-F374 VanDerWaalsContact C-N 3.35Å; K372-F374 PolarHBondContact O-N 3.17Å; F374-K376 PolarHBondContact O-N 3.35Å; F374-T377 PolarHBondContact O-N 3.21Å; F374-S378 VanDerWaalsContact CE2-OG 3.3Å; F374-S378 WeakPolarHBondContact CE2-OG 3.5Å; F374-S378 WeakPolarHBondContact O-CB 3.37Å; F374-S378 PolarHBondContact O-N 3.21Å; F374-S378 PolarHBondContact O-OG 3.47Å; F374-S378 VanDerWaalsContact O-OG 3.05Å; F374-V385 HydrophobicContact CD2-CG1 4.45Å; F374-V385 HydrophobicContact CE2-CG1 4.02Å; F374-L389 HydrophobicContact CB-CD1 4.26Å; F374-L389 HydrophobicContact CB-CG 4.27Å; F374-L389 HydrophobicContact CD2-CD2 4.45Å; F374-L389 HydrophobicContact CD2-CG 4.12Å; F374-R390 HydrophobicContact CE2-CG 3.97Å; F374-V393 HydrophobicContact CB-CB 4.42Å; F374-V393 HydrophobicContact CB-CG1 3.74Å; F374-V393 HydrophobicContact CB-CG2 4.02Å; F374-V393 HydrophobicContact CD1-CG2 3.78Å; F374-V393 HydrophobicContact CD2-CG2 4.09Å; F374-V393 HydrophobicContact CE1-CG2 4.25Å; F374-V393 HydrophobicContact CG-CG1 4.35Å; F374-V393 HydrophobicContact CG-CG2 3.68Å; F374-M394 HydrophobicContact CD1-CE 4.33Å; F374-M394 HydrophobicContact CE1-CE 3.69Å; F374-M394 HydrophobicContact CZ-CE 4.3Å; F374-N406 WeakPolarHBondContact CZ-OD1 3.19Å; F374-I409 HydrophobicContact CD1-CD1 4.47Å; F374-I409 HydrophobicContact CE1-CD1 3.95Å
375I97.6Very high95Very high0 Ų027.7 Ų27.70%012%0.121CC..Hα-helixtrans-57.5-48179.4-68.9165.1000110.8V343 Y346 I347 L350 L367 M371 K372 T377 S378 A379 I409V343-I375 HydrophobicContact CG1-CD1 4.2Å; V343-I375 HydrophobicContact CG2-CD1 4.2Å; Y346-I375 HydrophobicContact CD1-CB 4.12Å; Y346-I375 HydrophobicContact CD1-CD1 4.02Å; Y346-I375 HydrophobicContact CD1-CG2 3.68Å; Y346-I375 HydrophobicContact CE1-CB 3.84Å; Y346-I375 HydrophobicContact CE1-CD1 4.37Å; Y346-I375 HydrophobicContact CE1-CG2 3.69Å; I347-I375 HydrophobicContact CD1-CG2 4.2Å; I347-I375 HydrophobicContact CG1-CG2 3.43Å; I347-I375 VanDerWaalsContact CG1-CG2 3.43Å; L350-I375 HydrophobicContact CD1-CG2 4.49Å; L367-I375 HydrophobicContact CD1-CD1 3.88Å; M371-I375 HydrophobicContact CE-CD1 3.8Å; M371-I375 HydrophobicContact CE-CG1 3.92Å; M371-I375 HydrophobicContact CG-CD1 3.99Å; M371-I375 WeakPolarHBondContact O-CG1 3.48Å; M371-I375 PolarHBondContact O-N 3.32Å; K372-I375 PolarHBondContact O-N 3.28Å; I375-T377 PolarHBondContact O-N 3.16Å; I375-S378 PolarHBondContact O-N 2.87Å; I375-A379 VanDerWaalsContact O-CB 3.23Å; I375-A379 WeakPolarHBondContact O-CB 3.42Å; I375-A379 PolarHBondContact O-N 2.94Å; I375-I409 HydrophobicContact CG1-CD1 4.05Å; I375-I409 HydrophobicContact CG1-CG1 4.41Å; I375-I409 HydrophobicContact CG2-CG1 4.39Å
376K96.5Very high95Very high8 Ų827.3 Ų27.34%0.03513%0.125CC..Hα-helixtrans-61.7-42.4177.8-176.7171.2-173.1174.70112.3Q239 L243 D272 L350 K372 F374 C380Q239-K376 VanDerWaalsContact OE1-CD 3.3Å; L243-K376 HydrophobicContact CD1-CD 3.95Å; L243-K376 HydrophobicContact CD1-CG 3.97Å; D272-K376 IonicContact OD2-NZ 3.2Å; D272-K376 PolarHBondContact OD2-NZ 2.64Å; L350-K376 HydrophobicContact CD1-CB 3.86Å; L350-K376 HydrophobicContact CD1-CG 4.1Å; L350-K376 HydrophobicContact CD2-CB 4.18Å; L350-K376 HydrophobicContact CD2-CD 3.72Å; L350-K376 HydrophobicContact CD2-CG 3.8Å; K372-K376 WeakPolarHBondContact O-CB 3.49Å; K372-K376 PolarHBondContact O-N 3.12Å; F374-K376 PolarHBondContact O-N 3.35Å; K376-C380 WeakPolarHBondContact O-CB 3.4Å; K376-C380 PolarHBondContact O-N 3.33Å; K376-C380 PolarHBondContact O-SG 2.98Å
377T96Very high94.7Very high7 Ų728.6 Ų28.64%0.04313%0.134CC..Hα-helixtrans-64.2-49.8177.6-53.10000110.1L243 T373 F374 I375 A379 L381 P382 R384 V385 L389L243-T377 HydrophobicContact CD2-CG2 4.24Å; T373-T377 WeakPolarHBondContact O-CB 3.47Å; T373-T377 PolarHBondContact O-N 3.47Å; T373-T377 PolarHBondContact O-OG1 3.31Å; F374-T377 PolarHBondContact O-N 3.21Å; I375-T377 PolarHBondContact O-N 3.16Å; T377-A379 PolarHBondContact O-N 3.01Å; T377-L381 CarbonylContact O-C 3.39Å; T377-L381 WeakPolarHBondContact O-CA 3.48Å; T377-L381 PolarHBondContact O-N 2.94Å; T377-L381 VanDerWaalsContact O-O 3.09Å; T377-P382 WeakPolarHBondContact O-CA 3.33Å; T377-P382 VanDerWaalsContact O-N 3.08Å; T377-R384 HydrophobicContact CG2-CB 3.75Å; T377-V385 HydrophobicContact CG2-CG2 3.75Å; T377-L389 HydrophobicContact CG2-CD2 4.01Å
378S97.4Very high94.6Very high0 Ų034.4 Ų34.40%017%0.165CC..Hα-helixtrans-60.5-42.8178.7-63.10000113S142 F374 I375 P382 V385S142-S378 WeakPolarHBondContact CB-O 3.44Å; S142-S378 PolarHBondContact OG-O 3.21Å; F374-S378 VanDerWaalsContact CE2-OG 3.3Å; F374-S378 WeakPolarHBondContact CE2-OG 3.5Å; F374-S378 WeakPolarHBondContact O-CB 3.37Å; F374-S378 PolarHBondContact O-N 3.21Å; F374-S378 PolarHBondContact O-OG 3.47Å; F374-S378 VanDerWaalsContact O-OG 3.05Å; I375-S378 PolarHBondContact O-N 2.87Å; S378-P382 WeakPolarHBondContact O-CB 3.38Å; S378-V385 WeakPolarHBondContact OG-CG2 3.32Å
379A97.9Very high94.6Very high0 Ų032.3 Ų32.30%015%0.153CC..Hα-helixtrans-79.5-36.5-177.400000113I347 F351 I375 T377 I409 R413I347-A379 HydrophobicContact CG2-CB 4.21Å; F351-A379 HydrophobicContact CE2-CB 4.4Å; I375-A379 VanDerWaalsContact O-CB 3.23Å; I375-A379 WeakPolarHBondContact O-CB 3.42Å; I375-A379 PolarHBondContact O-N 2.94Å; T377-A379 PolarHBondContact O-N 3.01Å; A379-I409 HydrophobicContact CB-CG2 4.08Å; A379-R413 VanDerWaalsContact O-CD 3.25Å; A379-R413 WeakPolarHBondContact O-CD 3.44Å; A379-R413 PolarHBondContact O-NE 3.26Å; A379-R413 PolarHBondContact O-NH1 3.28Å
380C96.8Very high94.7Very high0 Ų028.5 Ų28.50%014%0.139CC..Hα-helixtrans-103.2-36.5-169.5-58.90000113.3Y270 K376Y270-C380 HydrophobicContact CD1-CB 3.76Å; Y270-C380 HydrophobicContact CD2-CB 3.7Å; Y270-C380 HydrophobicContact CE1-CB 4.21Å; Y270-C380 HydrophobicContact CE2-CB 4.16Å; Y270-C380 WeakPolarHBondContact CE2-SG 3.25Å; Y270-C380 HydrophobicContact CG-CB 3.49Å; Y270-C380 VanDerWaalsContact CG-CB 3.49Å; K376-C380 WeakPolarHBondContact O-CB 3.4Å; K376-C380 PolarHBondContact O-N 3.33Å; K376-C380 PolarHBondContact O-SG 2.98Å
381L96Very high94.7Very high3 Ų327 Ų272%0.01614%0.137CC..  trans-142.559.1-174.9-65.4171.7000110.3L243 R269 T377 E383 R384L243-L381 HydrophobicContact CB-CD1 3.84Å; L243-L381 HydrophobicContact CD2-CB 4.39Å; L243-L381 HydrophobicContact CD2-CD1 3.87Å; L243-L381 HydrophobicContact CG-CD1 4.35Å; R269-L381 HydrophobicContact CB-CD2 4.07Å; R269-L381 HydrophobicContact CG-CD2 4.3Å; T377-L381 CarbonylContact O-C 3.39Å; T377-L381 WeakPolarHBondContact O-CA 3.48Å; T377-L381 PolarHBondContact O-N 2.94Å; T377-L381 VanDerWaalsContact O-O 3.09Å; L381-E383 VanDerWaalsContact C-OE2 3.31Å; L381-E383 PolarHBondContact O-N 3.46Å; L381-E383 VanDerWaalsContact O-N 3.1Å; L381-R384 HydrophobicContact CB-CG 4.3Å; L381-R384 WeakPolarHBondContact O-CB 3.42Å; L381-R384 PolarHBondContact O-N 2.89Å
382P96.6Very high94.5Very high0 Ų027.8 Ų27.80%014%0.143CC..G310 helixtrans-54.2-32.7-169.916.3-30.8000114.7H55 C141 H145 T377 S378 R384 V385H55-P382 HydrophobicContact CB-CG 3.93Å; H55-P382 WeakPolarHBondContact ND1-CD 3.39Å; H55-P382 WeakPolarHBondContact ND1-CG 3.24Å; C141-P382 HydrophobicContact CB-CG 4.41Å; H145-P382 HydrophobicContact CB-CB 3.71Å; H145-P382 WeakPolarHBondContact CB-O 3.4Å; T377-P382 WeakPolarHBondContact O-CA 3.33Å; T377-P382 VanDerWaalsContact O-N 3.08Å; S378-P382 WeakPolarHBondContact O-CB 3.38Å; P382-R384 PolarHBondContact O-N 3.08Å; P382-V385 WeakPolarHBondContact O-CB 3.46Å; P382-V385 VanDerWaalsContact O-CG2 3.31Å; P382-V385 WeakPolarHBondContact O-CG2 3.37Å; P382-V385 PolarHBondContact O-N 3.34Å
383E93.1Very high94.4Very high41 Ų4127.9 Ų27.919%0.19214%0.144CC..G310 helixtrans-59.1-15.4175.664.6-85-161.100114.2H55 H56 R269 L381H55-E383 IonicContact CG-OE2 2.92Å; H55-E383 IonicContact ND1-OE2 3.69Å; H55-E383 PolarHBondContact ND1-OE2 2.73Å; H55-E383 WeakPolarHBondContact O-CB 3.22Å; H56-E383 HydrophobicContact CB-CB 4.31Å; R269-E383 IonicContact CZ-OE1 2.68Å; R269-E383 IonicContact NH1-OE1 3.63Å; R269-E383 PolarHBondContact NH1-OE1 2.69Å; L381-E383 VanDerWaalsContact C-OE2 3.31Å; L381-E383 PolarHBondContact O-N 3.46Å; L381-E383 VanDerWaalsContact O-N 3.1Å
384R93.6Very high94.4Very high70 Ų7027.3 Ų27.326%0.26414%0.139SC..G310 helixtrans-93.7-1.3177.5-61.2-175.4170.1-176.2-12.8113.5L243 T377 L381 P382 T386L243-R384 PolarHBondContact O-NH1 2.96Å; T377-R384 HydrophobicContact CG2-CB 3.75Å; L381-R384 HydrophobicContact CB-CG 4.3Å; L381-R384 WeakPolarHBondContact O-CB 3.42Å; L381-R384 PolarHBondContact O-N 2.89Å; P382-R384 PolarHBondContact O-N 3.08Å; R384-T386 PolarHBondContact O-N 3.46Å
385V92.7Very high94.2Very high11 Ų1131 Ų317%0.06716%0.161CC..  trans-69.4102.9175.1178.90000109.4H145 F374 T377 S378 P382 R390H145-V385 HydrophobicContact CB-CB 4.46Å; F374-V385 HydrophobicContact CD2-CG1 4.45Å; F374-V385 HydrophobicContact CE2-CG1 4.02Å; T377-V385 HydrophobicContact CG2-CG2 3.75Å; S378-V385 WeakPolarHBondContact OG-CG2 3.32Å; P382-V385 WeakPolarHBondContact O-CB 3.46Å; P382-V385 VanDerWaalsContact O-CG2 3.31Å; P382-V385 WeakPolarHBondContact O-CG2 3.37Å; P382-V385 PolarHBondContact O-N 3.34Å; V385-R390 HydrophobicContact CG1-CG 3.43Å; V385-R390 VanDerWaalsContact CG1-CG 3.43Å; V385-R390 PolarHBondContact O-NH1 3.03Å
386T92.1Very high93.9Very high77 Ų7734 Ų3447%0.47218%0.178SC..  trans-83.1160.1175.165.40000111.4R384 N388 L389 R390R384-T386 PolarHBondContact O-N 3.46Å; T386-N388 VanDerWaalsContact C-N 3.29Å; T386-N388 PolarHBondContact O-N 3.11Å; T386-L389 PolarHBondContact O-N 3.47Å; T386-L389 VanDerWaalsContact O-N 3.15Å; T386-L389 WeakPolarHBondContact OG1-CB 3.44Å; T386-L389 PolarHBondContact OG1-N 3.43Å; T386-L389 VanDerWaalsContact OG1-N 3.13Å; T386-R390 PolarHBondContact O-N 3.03Å
387V90.6Very high93.7Very high34 Ų3434.8 Ų34.821%0.20618%0.181CC..Hα-helixtrans-57.1-46.5173.2-1790000110.7C172 L389 R390 E391C172-V387 HydrophobicContact CB-CG2 3.24Å; C172-V387 WeakPolarHBondContact SG-CG2 3.5Å; V387-L389 VanDerWaalsContact C-N 3.27Å; V387-L389 PolarHBondContact O-N 3.2Å; V387-R390 WeakPolarHBondContact O-CB 3.48Å; V387-R390 PolarHBondContact O-N 3.01Å; V387-R390 VanDerWaalsContact O-N 3.09Å; V387-E391 HydrophobicContact CG1-CG 4.16Å; V387-E391 VanDerWaalsContact CG1-OE1 3.28Å; V387-E391 WeakPolarHBondContact CG1-OE1 3.4Å; V387-E391 WeakPolarHBondContact O-CB 3.2Å; V387-E391 WeakPolarHBondContact O-CG 3.21Å; V387-E391 PolarHBondContact O-N 3.17Å
388N92.4Very high93.5Very high123 Ų12336.9 Ų36.966%0.65820%0.196SC*.Hα-helixtrans-56.4-42.3177-65.2-10.2000111.5T386 S392T386-N388 VanDerWaalsContact C-N 3.29Å; T386-N388 PolarHBondContact O-N 3.11Å; N388-S392 WeakPolarHBondContact O-CB 3.49Å; N388-S392 PolarHBondContact O-N 3.08Å; N388-S392 PolarHBondContact O-OG 3.19Å
389L93Very high93.2Very high26 Ų2640.8 Ų40.814%0.13621%0.213CC..Hα-helixtrans-64.7-45.6177.3-176.759.7000111.2T373 F374 T377 T386 V387 S392T373-L389 HydrophobicContact CG2-CD1 4.27Å; F374-L389 HydrophobicContact CB-CD1 4.26Å; F374-L389 HydrophobicContact CB-CG 4.27Å; F374-L389 HydrophobicContact CD2-CD2 4.45Å; F374-L389 HydrophobicContact CD2-CG 4.12Å; T377-L389 HydrophobicContact CG2-CD2 4.01Å; T386-L389 PolarHBondContact O-N 3.47Å; T386-L389 VanDerWaalsContact O-N 3.15Å; T386-L389 WeakPolarHBondContact OG1-CB 3.44Å; T386-L389 PolarHBondContact OG1-N 3.43Å; T386-L389 VanDerWaalsContact OG1-N 3.13Å; V387-L389 VanDerWaalsContact C-N 3.27Å; V387-L389 PolarHBondContact O-N 3.2Å; L389-S392 PolarHBondContact O-N 2.98Å; L389-S392 PolarHBondContact O-OG 2.93Å
390R93.6Very high92.9Very high45 Ų4542.4 Ų42.417%0.1723%0.225CC..Hα-helixtrans-59.8-45.5176.5-67.3-165.7-64-92.91.3112.8H145 A146 F374 V385 T386 V387 S392 V393H145-R390 PolarHBondContact O-NH1 3.33Å; A146-R390 WeakPolarHBondContact O-CD 3.5Å; F374-R390 HydrophobicContact CE2-CG 3.97Å; V385-R390 HydrophobicContact CG1-CG 3.43Å; V385-R390 VanDerWaalsContact CG1-CG 3.43Å; V385-R390 PolarHBondContact O-NH1 3.03Å; T386-R390 PolarHBondContact O-N 3.03Å; V387-R390 WeakPolarHBondContact O-CB 3.48Å; V387-R390 PolarHBondContact O-N 3.01Å; V387-R390 VanDerWaalsContact O-N 3.09Å; R390-S392 VanDerWaalsContact C-N 3.27Å; R390-S392 PolarHBondContact O-N 2.84Å; R390-V393 WeakPolarHBondContact O-CG2 3.42Å
391E91.3Very high92.9Very high82 Ų8243.2 Ų43.238%0.38323%0.228SC..Hα-helixtrans-70.7-25.2-179.7-71.6178.5177.300112.5L169 V387 V393L169-E391 WeakPolarHBondContact CB-OE1 3.47Å; L169-E391 HydrophobicContact CD1-CG 3.48Å; L169-E391 VanDerWaalsContact CD1-CG 3.48Å; L169-E391 WeakPolarHBondContact CD1-OE1 3.39Å; V387-E391 HydrophobicContact CG1-CG 4.16Å; V387-E391 VanDerWaalsContact CG1-OE1 3.28Å; V387-E391 WeakPolarHBondContact CG1-OE1 3.4Å; V387-E391 WeakPolarHBondContact O-CB 3.2Å; V387-E391 WeakPolarHBondContact O-CG 3.21Å; V387-E391 PolarHBondContact O-N 3.17Å; E391-V393 VanDerWaalsContact C-N 3.31Å; E391-V393 PolarHBondContact O-N 3.22Å
392S92Very high92.8Very high24 Ų2445.5 Ų45.517%0.16824%0.238CC..THydrogen-bonded Turntrans-78.6-11.8-176.475.60000114.8R370 N388 L389 R390R370-S392 WeakPolarHBondContact CD-O 3.28Å; R370-S392 WeakPolarHBondContact CD-OG 3.33Å; R370-S392 PolarHBondContact NH1-O 3.21Å; N388-S392 WeakPolarHBondContact O-CB 3.49Å; N388-S392 PolarHBondContact O-N 3.08Å; N388-S392 PolarHBondContact O-OG 3.19Å; L389-S392 PolarHBondContact O-N 2.98Å; L389-S392 PolarHBondContact O-OG 2.93Å; R390-S392 VanDerWaalsContact C-N 3.27Å; R390-S392 PolarHBondContact O-N 2.84Å
393V93.9Very high92.8Very high2 Ų245.5 Ų45.51%0.01224%0.238CC..SBendtrans-116.6159.8-179.2-64.20000111.5R370 M371 F374 R390 E391 V395R370-V393 HydrophobicContact CB-CG1 4.37Å; R370-V393 HydrophobicContact CG-CG1 3.73Å; M371-V393 HydrophobicContact SD-CB 4.01Å; M371-V393 HydrophobicContact SD-CG1 4.34Å; F374-V393 HydrophobicContact CB-CB 4.42Å; F374-V393 HydrophobicContact CB-CG1 3.74Å; F374-V393 HydrophobicContact CB-CG2 4.02Å; F374-V393 HydrophobicContact CD1-CG2 3.78Å; F374-V393 HydrophobicContact CD2-CG2 4.09Å; F374-V393 HydrophobicContact CE1-CG2 4.25Å; F374-V393 HydrophobicContact CG-CG1 4.35Å; F374-V393 HydrophobicContact CG-CG2 3.68Å; R390-V393 WeakPolarHBondContact O-CG2 3.42Å; E391-V393 VanDerWaalsContact C-N 3.31Å; E391-V393 PolarHBondContact O-N 3.22Å; V393-V395 PolarHBondContact O-N 2.82Å
394M93.6Very high92.9Very high18 Ų1844.4 Ų44.49%0.08923%0.233CC..SBendtrans5035.1177.5-61.9-177.8-7400112.3M371 F374 D396 F397 K402 V405M371-M394 HydrophobicContact CE-CE 4.34Å; M371-M394 HydrophobicContact CE-CG 3.99Å; M371-M394 HydrophobicContact CE-SD 3.88Å; M371-M394 HydrophobicContact SD-CG 3.91Å; F374-M394 HydrophobicContact CD1-CE 4.33Å; F374-M394 HydrophobicContact CE1-CE 3.69Å; F374-M394 HydrophobicContact CZ-CE 4.3Å; M394-D396 VanDerWaalsContact C-N 3.27Å; M394-D396 PolarHBondContact O-N 3.06Å; M394-F397 HydrophobicContact CB-CB 3.92Å; M394-F397 HydrophobicContact CB-CD1 4.19Å; M394-F397 HydrophobicContact CB-CD2 3.98Å; M394-F397 HydrophobicContact CB-CG 3.77Å; M394-F397 HydrophobicContact CG-CD2 3.91Å; M394-F397 HydrophobicContact CG-CE2 4.13Å; M394-F397 HydrophobicContact CG-CG 4.19Å; M394-F397 WeakPolarHBondContact O-CB 3.18Å; M394-F397 PolarHBondContact O-N 2.79Å; M394-F397 HydrophobicContact SD-CD2 4.06Å; M394-F397 HydrophobicContact SD-CE2 4.38Å; M394-K402 HydrophobicContact CB-CD 4.49Å; M394-K402 HydrophobicContact CB-CG 3.94Å; M394-K402 HydrophobicContact CE-CB 4.1Å; M394-K402 HydrophobicContact CE-CG 4.04Å; M394-K402 WeakPolarHBondContact O-CE 3.37Å; M394-K402 PolarHBondContact O-NZ 2.91Å; M394-K402 HydrophobicContact SD-CB 4.43Å; M394-K402 HydrophobicContact SD-CG 4.16Å; M394-V405 HydrophobicContact CE-CB 4.44Å; M394-V405 HydrophobicContact CE-CG1 4.46Å; M394-V405 HydrophobicContact SD-CB 3.73Å; M394-V405 HydrophobicContact SD-CG1 3.97Å; M394-V405 HydrophobicContact SD-CG2 3.74Å
395V91.9Very high93.1Very high79 Ų7941.4 Ų41.448%0.47922%0.222SC..THydrogen-bonded Turntrans-57.4-41.8-167.8179.90000111.5V393V393-V395 PolarHBondContact O-N 2.82Å
396D91.2Very high93.4Very high64 Ų6441 Ų4134%0.34222%0.22SC..THydrogen-bonded Turntrans-91.84.8-178.8-46.6-48.3000113.3G202 R203 V204 G329 M394G202-D396 WeakPolarHBondContact CA-OD2 3.38Å; R203-D396 PolarHBondContact N-OD2 3.1Å; V204-D396 HydrophobicContact CB-CB 4.18Å; V204-D396 HydrophobicContact CG2-CB 3.61Å; V204-D396 PolarHBondContact N-OD2 3.19Å; G329-D396 WeakPolarHBondContact CA-O 3.17Å; M394-D396 VanDerWaalsContact C-N 3.27Å; M394-D396 PolarHBondContact O-N 3.06Å
397F92.5Very high93.6Very high24 Ų2437.4 Ų37.411%0.10520%0.198CC..SBendtrans-84.8145.2177.7-71.533000109.1V204 L207 M328 Y339 M394 E401 K402V204-F397 HydrophobicContact CG2-CD1 3.77Å; V204-F397 HydrophobicContact CG2-CE1 3.64Å; L207-F397 HydrophobicContact CD2-CE1 4.24Å; L207-F397 HydrophobicContact CD2-CZ 3.98Å; M328-F397 HydrophobicContact CE-CZ 4.17Å; M328-F397 HydrophobicContact CG-CE1 4.28Å; M328-F397 HydrophobicContact CG-CZ 4.26Å; M328-F397 HydrophobicContact SD-CZ 4.42Å; Y339-F397 AromaticContact CE1-CE2 4Å; Y339-F397 HydrophobicContact CE1-CE2 4Å; Y339-F397 HydrophobicContact CE1-CZ 4.26Å; Y339-F397 AromaticContact CZ-CZ 3.98Å; M394-F397 HydrophobicContact CB-CB 3.92Å; M394-F397 HydrophobicContact CB-CD1 4.19Å; M394-F397 HydrophobicContact CB-CD2 3.98Å; M394-F397 HydrophobicContact CB-CG 3.77Å; M394-F397 HydrophobicContact CG-CD2 3.91Å; M394-F397 HydrophobicContact CG-CE2 4.13Å; M394-F397 HydrophobicContact CG-CG 4.19Å; M394-F397 WeakPolarHBondContact O-CB 3.18Å; M394-F397 PolarHBondContact O-N 2.79Å; M394-F397 HydrophobicContact SD-CD2 4.06Å; M394-F397 HydrophobicContact SD-CE2 4.38Å; F397-E401 HydrophobicContact CB-CB 4.07Å; F397-E401 HydrophobicContact CD2-CB 3.95Å; F397-E401 HydrophobicContact CG-CB 4.43Å; F397-K402 HydrophobicContact CB-CG 4.21Å; F397-K402 WeakPolarHBondContact O-CE 3.21Å
398S91.4Very high94Very high52 Ų5235.8 Ų35.836%0.36419%0.188SC..  trans-61.2157.8168.567.80000111.1S400 E401 K402S398-S400 VanDerWaalsContact C-N 3.25Å; S398-S400 PolarHBondContact O-N 2.96Å; S398-E401 WeakPolarHBondContact CB-OE2 3.44Å; S398-E401 PolarHBondContact N-OE2 3.15Å; S398-E401 PolarHBondContact O-N 3.34Å; S398-E401 VanDerWaalsContact O-N 3.15Å; S398-E401 WeakPolarHBondContact OG-CB 3.37Å; S398-E401 VanDerWaalsContact OG-CD 3.23Å; S398-E401 WeakPolarHBondContact OG-CG 3.49Å; S398-E401 PolarHBondContact OG-N 2.73Å; S398-E401 PolarHBondContact OG-OE2 3.01Å; S398-K402 WeakPolarHBondContact O-CG 3.4Å; S398-K402 PolarHBondContact O-N 3.41Å
399F90.5Very high94.3Very high82 Ų8230 Ų3036%0.3616%0.157SC..Hα-helixtrans-59.3-38.5176.2-176-105.9000112.2L17 I155 M159 E401 K402 V403L17-F399 HydrophobicContact CD1-CD1 3.63Å; L17-F399 HydrophobicContact CD1-CE1 3.79Å; I155-F399 HydrophobicContact CG2-CE1 4.34Å; I155-F399 HydrophobicContact CG2-CZ 4.03Å; M159-F399 HydrophobicContact CE-CD1 3.95Å; M159-F399 HydrophobicContact CE-CE1 3.65Å; M159-F399 HydrophobicContact SD-CE1 3.95Å; F399-E401 PolarHBondContact O-N 3.02Å; F399-K402 WeakPolarHBondContact O-CB 3.49Å; F399-K402 PolarHBondContact O-N 3.06Å; F399-V403 HydrophobicContact CD1-CG2 4.33Å; F399-V403 HydrophobicContact CE1-CG2 3.92Å; F399-V403 HydrophobicContact CZ-CG2 4.07Å; F399-V403 PolarHBondContact O-N 3.14Å
400S93.1Very high94.6Very high34 Ų3428.7 Ų28.724%0.23815%0.15CC..Hα-helixtrans-58.4-46173.8-177.60000111.9H18 S398 K402 V403 H404H18-S400 PolarHBondContact CE1-OG 3.07Å; H18-S400 PolarHBondContact NE2-O 2.81Å; S398-S400 VanDerWaalsContact C-N 3.25Å; S398-S400 PolarHBondContact O-N 2.96Å; S400-K402 VanDerWaalsContact C-N 3.33Å; S400-K402 PolarHBondContact O-N 3.24Å; S400-V403 PolarHBondContact O-N 3.12Å; S400-H404 WeakPolarHBondContact O-CB 3.46Å; S400-H404 PolarHBondContact O-N 3.22Å
401E94.8Very high94.8Very high16 Ų1626.7 Ų26.78%0.07514%0.143CC..Hα-helixtrans-65.2-34.5176.9-70.4161.9146.500112.9T327 M328 G329 F397 S398 F399 H404 V405T327-E401 VanDerWaalsContact C-OE1 3.26Å; T327-E401 PolarHBondContact OG1-OE1 3.11Å; M328-E401 WeakPolarHBondContact CA-OE1 3.48Å; M328-E401 PolarHBondContact N-OE1 3.35Å; G329-E401 PolarHBondContact N-OE1 3.5Å; G329-E401 PolarHBondContact N-OE2 3.44Å; G329-E401 VanDerWaalsContact N-OE2 3.1Å; F397-E401 HydrophobicContact CB-CB 4.07Å; F397-E401 HydrophobicContact CD2-CB 3.95Å; F397-E401 HydrophobicContact CG-CB 4.43Å; S398-E401 WeakPolarHBondContact CB-OE2 3.44Å; S398-E401 PolarHBondContact N-OE2 3.15Å; S398-E401 PolarHBondContact O-N 3.34Å; S398-E401 VanDerWaalsContact O-N 3.15Å; S398-E401 WeakPolarHBondContact OG-CB 3.37Å; S398-E401 VanDerWaalsContact OG-CD 3.23Å; S398-E401 WeakPolarHBondContact OG-CG 3.49Å; S398-E401 PolarHBondContact OG-N 2.73Å; S398-E401 PolarHBondContact OG-OE2 3.01Å; F399-E401 PolarHBondContact O-N 3.02Å; E401-H404 WeakPolarHBondContact O-CB 3.45Å; E401-H404 PolarHBondContact O-N 2.98Å; E401-V405 WeakPolarHBondContact O-CG2 3.45Å; E401-V405 PolarHBondContact O-N 3.35Å
402K95.3Very high95.2Very high51 Ų5122.8 Ų22.822%0.22213%0.125CC..Hα-helixtrans-63.1-44.9173.3-66.3177.9-177.2-177.50111.5M394 F397 S398 F399 S400 H404 V405 N406M394-K402 HydrophobicContact CB-CD 4.49Å; M394-K402 HydrophobicContact CB-CG 3.94Å; M394-K402 HydrophobicContact CE-CB 4.1Å; M394-K402 HydrophobicContact CE-CG 4.04Å; M394-K402 WeakPolarHBondContact O-CE 3.37Å; M394-K402 PolarHBondContact O-NZ 2.91Å; M394-K402 HydrophobicContact SD-CB 4.43Å; M394-K402 HydrophobicContact SD-CG 4.16Å; F397-K402 HydrophobicContact CB-CG 4.21Å; F397-K402 WeakPolarHBondContact O-CE 3.21Å; S398-K402 WeakPolarHBondContact O-CG 3.4Å; S398-K402 PolarHBondContact O-N 3.41Å; F399-K402 WeakPolarHBondContact O-CB 3.49Å; F399-K402 PolarHBondContact O-N 3.06Å; S400-K402 VanDerWaalsContact C-N 3.33Å; S400-K402 PolarHBondContact O-N 3.24Å; K402-H404 VanDerWaalsContact C-N 3.32Å; K402-V405 PolarHBondContact O-N 2.81Å; K402-N406 PolarHBondContact O-N 2.79Å; K402-N406 VanDerWaalsContact O-N 3.07Å; K402-N406 PolarHBondContact O-ND2 3.14Å
403V95.4Very high95.5Very high1 Ų121.7 Ų21.71%0.00612%0.117CC..Hα-helixtrans-61.6-43175.2172.30000110.6L17 F143 F399 S400 V405 N406 M407L17-V403 HydrophobicContact CD1-CB 4.17Å; L17-V403 HydrophobicContact CD1-CG2 3.84Å; F143-V403 HydrophobicContact CE2-CG1 4.12Å; F143-V403 HydrophobicContact CZ-CG1 3.95Å; F399-V403 HydrophobicContact CD1-CG2 4.33Å; F399-V403 HydrophobicContact CE1-CG2 3.92Å; F399-V403 HydrophobicContact CZ-CG2 4.07Å; F399-V403 PolarHBondContact O-N 3.14Å; S400-V403 PolarHBondContact O-N 3.12Å; V403-V405 VanDerWaalsContact C-N 3.35Å; V403-V405 PolarHBondContact O-N 3.24Å; V403-N406 CarbonylContact O-C 3.57Å; V403-N406 WeakPolarHBondContact O-CA 3.36Å; V403-N406 WeakPolarHBondContact O-CB 3.3Å; V403-N406 PolarHBondContact O-N 2.97Å; V403-M407 HydrophobicContact CG1-SD 4.41Å; V403-M407 WeakPolarHBondContact O-CG 3.46Å; V403-M407 PolarHBondContact O-N 3.34Å
404H96.6Very high95.7Very high17 Ų1721.6 Ų21.68%0.07912%0.116CC..Hα-helixtrans-58-43.6176.6-169.1-175.1000112.4H18 L323 S400 E401 K402 N406 M407 L408H18-H404 PolarHBondContact NE2-N 3.15Å; L323-H404 PolarHBondContact O-CE1 2.98Å; L323-H404 PolarHBondContact O-NE2 2.9Å; S400-H404 WeakPolarHBondContact O-CB 3.46Å; S400-H404 PolarHBondContact O-N 3.22Å; E401-H404 WeakPolarHBondContact O-CB 3.45Å; E401-H404 PolarHBondContact O-N 2.98Å; K402-H404 VanDerWaalsContact C-N 3.32Å; H404-N406 VanDerWaalsContact C-N 3.33Å; H404-N406 PolarHBondContact O-N 2.9Å; H404-M407 WeakPolarHBondContact O-CB 3.39Å; H404-M407 PolarHBondContact O-N 3.35Å; H404-L408 PolarHBondContact O-N 3.26Å
405V97.7Very high95.9Very high7 Ų720.7 Ų20.74%0.04211%0.112CC..Hα-helixtrans-64.8-38.5174.7174.40000111.5Y339 V343 M371 M394 E401 K402 V403 M407 L408 I409Y339-V405 HydrophobicContact CE1-CG2 4.08Å; V343-V405 HydrophobicContact CG1-CG1 4.31Å; M371-V405 HydrophobicContact CE-CG1 3.61Å; M394-V405 HydrophobicContact CE-CB 4.44Å; M394-V405 HydrophobicContact CE-CG1 4.46Å; M394-V405 HydrophobicContact SD-CB 3.73Å; M394-V405 HydrophobicContact SD-CG1 3.97Å; M394-V405 HydrophobicContact SD-CG2 3.74Å; E401-V405 WeakPolarHBondContact O-CG2 3.45Å; E401-V405 PolarHBondContact O-N 3.35Å; K402-V405 PolarHBondContact O-N 2.81Å; V403-V405 VanDerWaalsContact C-N 3.35Å; V403-V405 PolarHBondContact O-N 3.24Å; V405-M407 VanDerWaalsContact C-N 3.29Å; V405-M407 PolarHBondContact O-N 2.97Å; V405-L408 WeakPolarHBondContact O-CB 3.14Å; V405-L408 PolarHBondContact O-N 3.37Å; V405-I409 HydrophobicContact CG1-CD1 4.34Å; V405-I409 WeakPolarHBondContact O-CG1 3.21Å; V405-I409 PolarHBondContact O-N 2.99Å
406N97.7Very high96.2Very high4 Ų417 Ų172%0.0219%0.089CC..Hα-helixtrans-66.8-29.7175.9-67.4-19.5000112.7F143 A146 C147 F374 K402 V403 H404 I409 S410F143-N406 HydrophobicContact CD2-CB 3.98Å; F143-N406 HydrophobicContact CE2-CB 4.06Å; A146-N406 VanDerWaalsContact C-ND2 3.29Å; A146-N406 HydrophobicContact CB-CB 4.21Å; A146-N406 WeakPolarHBondContact CB-OD1 3.33Å; A146-N406 PolarHBondContact O-ND2 2.94Å; C147-N406 PolarHBondContact N-ND2 2.91Å; C147-N406 PolarHBondContact SG-ND2 3.25Å; F374-N406 WeakPolarHBondContact CZ-OD1 3.19Å; K402-N406 PolarHBondContact O-N 2.79Å; K402-N406 VanDerWaalsContact O-N 3.07Å; K402-N406 PolarHBondContact O-ND2 3.14Å; V403-N406 CarbonylContact O-C 3.57Å; V403-N406 WeakPolarHBondContact O-CA 3.36Å; V403-N406 WeakPolarHBondContact O-CB 3.3Å; V403-N406 PolarHBondContact O-N 2.97Å; H404-N406 VanDerWaalsContact C-N 3.33Å; H404-N406 PolarHBondContact O-N 2.9Å; N406-I409 PolarHBondContact O-N 2.89Å; N406-S410 PolarHBondContact O-N 3.4Å
407M98Very high96.5Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-62.7-45.8169.5-65.7166.336.300111.2L15 H18 Y21 F143 L323 V403 H404 V405 I409 S410 E411L15-M407 HydrophobicContact CD2-CG 4.24Å; H18-M407 HydrophobicContact CB-CE 4.16Å; H18-M407 HydrophobicContact CB-SD 3.93Å; H18-M407 PolarHBondContact CD2-SD 2.69Å; Y21-M407 HydrophobicContact CD1-CE 3.3Å; Y21-M407 HydrophobicContact CD1-CG 3.95Å; Y21-M407 HydrophobicContact CD1-SD 3.59Å; Y21-M407 VanDerWaalsContact CD1-SD 3.59Å; Y21-M407 HydrophobicContact CD2-CE 3.72Å; Y21-M407 HydrophobicContact CE1-CB 4.17Å; Y21-M407 HydrophobicContact CE1-CE 3.79Å; Y21-M407 HydrophobicContact CE1-CG 3.59Å; Y21-M407 HydrophobicContact CE1-SD 3.91Å; Y21-M407 HydrophobicContact CE2-CE 4.18Å; Y21-M407 HydrophobicContact CG-CE 3.25Å; Y21-M407 HydrophobicContact CG-SD 4.17Å; F143-M407 HydrophobicContact CD2-CG 4.47Å; F143-M407 HydrophobicContact CE2-CG 3.86Å; L323-M407 HydrophobicContact CD2-CE 3.83Å; V403-M407 HydrophobicContact CG1-SD 4.41Å; V403-M407 WeakPolarHBondContact O-CG 3.46Å; V403-M407 PolarHBondContact O-N 3.34Å; H404-M407 WeakPolarHBondContact O-CB 3.39Å; H404-M407 PolarHBondContact O-N 3.35Å; V405-M407 VanDerWaalsContact C-N 3.29Å; V405-M407 PolarHBondContact O-N 2.97Å; M407-I409 VanDerWaalsContact C-N 3.31Å; M407-I409 PolarHBondContact O-N 3.12Å; M407-S410 PolarHBondContact O-N 3.46Å; M407-E411 PolarHBondContact O-N 2.99Å
408L98.6Very high96.8Very high1 Ų112.8 Ų12.81%0.0057%0.068CC..Hα-helixtrans-58.3-42.9174.3-66.6169.7000111.5A320 R340 V343 W344 H404 V405 S410 A412A320-L408 HydrophobicContact CB-CD2 4.47Å; A320-L408 WeakPolarHBondContact O-CD2 3.25Å; R340-L408 HydrophobicContact CB-CD1 4.06Å; R340-L408 HydrophobicContact CG-CD1 4.13Å; V343-L408 HydrophobicContact CB-CD1 4.35Å; V343-L408 HydrophobicContact CG1-CB 4Å; V343-L408 HydrophobicContact CG1-CD1 4.2Å; W344-L408 HydrophobicContact CE3-CD2 3.97Å; W344-L408 HydrophobicContact CZ3-CD2 4.5Å; H404-L408 PolarHBondContact O-N 3.26Å; V405-L408 WeakPolarHBondContact O-CB 3.14Å; V405-L408 PolarHBondContact O-N 3.37Å; L408-S410 PolarHBondContact O-N 3.04Å; L408-A412 VanDerWaalsContact O-CB 3.27Å; L408-A412 WeakPolarHBondContact O-CB 3.47Å; L408-A412 PolarHBondContact O-N 3.04Å
409I98.6Very high97.1Very high0 Ų010.3 Ų10.30%05%0.051CC..Hα-helixtrans-57.3-48.7175.5-65.9170000111.5I347 F374 I375 A379 V405 N406 M407 R413I347-I409 HydrophobicContact CD1-CB 4.28Å; I347-I409 HydrophobicContact CD1-CG1 3.95Å; F374-I409 HydrophobicContact CD1-CD1 4.47Å; F374-I409 HydrophobicContact CE1-CD1 3.95Å; I375-I409 HydrophobicContact CG1-CD1 4.05Å; I375-I409 HydrophobicContact CG1-CG1 4.41Å; I375-I409 HydrophobicContact CG2-CG1 4.39Å; A379-I409 HydrophobicContact CB-CG2 4.08Å; V405-I409 HydrophobicContact CG1-CD1 4.34Å; V405-I409 WeakPolarHBondContact O-CG1 3.21Å; V405-I409 PolarHBondContact O-N 2.99Å; N406-I409 PolarHBondContact O-N 2.89Å; M407-I409 VanDerWaalsContact C-N 3.31Å; M407-I409 PolarHBondContact O-N 3.12Å; I409-R413 VanDerWaalsContact O-CB 3.29Å; I409-R413 WeakPolarHBondContact O-CB 3.39Å; I409-R413 PolarHBondContact O-N 3.2Å
410S98.4Very high97.4Very high0 Ų06.4 Ų6.40%03%0.034CC..Hα-helixtrans-63.1-51.9179.6-176.50000111.8S139 N406 M407 L408 R413 F414S139-S410 WeakPolarHBondContact CB-O 3.37Å; S139-S410 PolarHBondContact O-OG 3.01Å; N406-S410 PolarHBondContact O-N 3.4Å; M407-S410 PolarHBondContact O-N 3.46Å; L408-S410 PolarHBondContact O-N 3.04Å; S410-R413 PolarHBondContact O-N 3.38Å; S410-F414 WeakPolarHBondContact O-CB 3.47Å; S410-F414 PolarHBondContact O-N 3.47Å
411E98.5Very high97.6Very high2 Ų24.8 Ų4.81%0.0092%0.022CC..Hα-helixtrans-69.8-41.6-174.2-68.3-51.3149.900112.9Y21 R136 F317 A320 W344 M407 R413 F414 Q415Y21-E411 HydrophobicContact CE2-CG 3.93Å; Y21-E411 PolarHBondContact OH-OE1 3.29Å; R136-E411 IonicContact CZ-OE1 3.43Å; R136-E411 IonicContact NH1-OE1 2.83Å; R136-E411 PolarHBondContact NH1-OE1 3.09Å; R136-E411 IonicContact NH1-OE2 3.04Å; R136-E411 PolarHBondContact NH1-OE2 3.08Å; R136-E411 IonicContact NH2-OE1 2.7Å; F317-E411 HydrophobicContact CD1-CB 4.15Å; F317-E411 WeakPolarHBondContact CD1-OE2 3.45Å; F317-E411 WeakPolarHBondContact CE1-O 3.45Å; F317-E411 WeakPolarHBondContact CE1-OE2 3.16Å; A320-E411 HydrophobicContact CB-CB 3.96Å; A320-E411 HydrophobicContact CB-CG 3.71Å; W344-E411 HydrophobicContact CH2-CB 3.9Å; W344-E411 HydrophobicContact CZ3-CB 3.67Å; M407-E411 PolarHBondContact O-N 2.99Å; E411-R413 PolarHBondContact O-N 3.16Å; E411-F414 WeakPolarHBondContact O-CB 3.49Å; E411-F414 PolarHBondContact O-N 3.46Å; E411-Q415 PolarHBondContact O-N 3.49Å
412A98.6Very high97.7Very high0 Ų04 Ų40%02%0.019CC..Hα-helixtrans-65.3-39.7177.100000111.9W344 I347 L348 L408 F414 Q415 A416W344-A412 HydrophobicContact CD2-CB 3.71Å; W344-A412 HydrophobicContact CE3-CB 3.73Å; W344-A412 HydrophobicContact CG-CB 4.21Å; W344-A412 HydrophobicContact CH2-CB 4.35Å; W344-A412 HydrophobicContact CZ2-CB 4.34Å; W344-A412 HydrophobicContact CZ3-CB 4.06Å; I347-A412 HydrophobicContact CB-CB 3.83Å; I347-A412 HydrophobicContact CD1-CB 3.88Å; I347-A412 HydrophobicContact CG1-CB 4.5Å; I347-A412 HydrophobicContact CG2-CB 3.71Å; L348-A412 HydrophobicContact CD2-CB 4.43Å; L348-A412 WeakPolarHBondContact CD2-O 3.13Å; L348-A412 HydrophobicContact CG-CB 4.48Å; L408-A412 VanDerWaalsContact O-CB 3.27Å; L408-A412 WeakPolarHBondContact O-CB 3.47Å; L408-A412 PolarHBondContact O-N 3.04Å; A412-F414 VanDerWaalsContact C-N 3.32Å; A412-F414 PolarHBondContact O-N 2.81Å; A412-Q415 PolarHBondContact O-N 3.31Å; A412-A416 WeakPolarHBondContact O-CB 3.41Å; A412-A416 PolarHBondContact O-N 3.09Å
413R98.3Very high97.8Very high1 Ų13.9 Ų3.90%0.0042%0.017CC..Hα-helixtrans-60.9-43.1172.6174.3-178.8170.769.20.5111.1H55 A99 H138 S142 I347 F351 A379 I409 S410 E411 A416 S417H55-R413 PolarHBondContact CE1-NH2 3.28Å; H55-R413 PolarHBondContact NE2-NH2 2.93Å; A99-R413 PolarHBondContact O-NH1 2.93Å; A99-R413 PolarHBondContact O-NH2 3.07Å; H138-R413 PolarHBondContact O-NE 3.29Å; S142-R413 WeakPolarHBondContact OG-CD 3.31Å; S142-R413 PolarHBondContact OG-NE 2.65Å; I347-R413 HydrophobicContact CG2-CB 4.43Å; F351-R413 HydrophobicContact CE2-CB 4.34Å; F351-R413 HydrophobicContact CE2-CG 4.22Å; F351-R413 HydrophobicContact CZ-CG 4.16Å; A379-R413 VanDerWaalsContact O-CD 3.25Å; A379-R413 WeakPolarHBondContact O-CD 3.44Å; A379-R413 PolarHBondContact O-NE 3.26Å; A379-R413 PolarHBondContact O-NH1 3.28Å; I409-R413 VanDerWaalsContact O-CB 3.29Å; I409-R413 WeakPolarHBondContact O-CB 3.39Å; I409-R413 PolarHBondContact O-N 3.2Å; S410-R413 PolarHBondContact O-N 3.38Å; E411-R413 PolarHBondContact O-N 3.16Å; R413-A416 PolarHBondContact O-N 3.19Å; R413-S417 PolarHBondContact O-N 3.1Å; R413-S417 PolarHBondContact O-OG 2.85Å
414F98.7Very high97.9Very high0 Ų03.8 Ų3.80%02%0.016CC..Hα-helixtrans-62-50.2179-174-148.7000110.9L132 R136 I313 F317 S410 E411 A412 A416 S417 L418L132-F414 HydrophobicContact CD1-CE2 4.03Å; L132-F414 HydrophobicContact CD1-CZ 3.68Å; R136-F414 HydrophobicContact CB-CD2 4.41Å; R136-F414 HydrophobicContact CB-CE1 4.47Å; R136-F414 HydrophobicContact CB-CE2 3.76Å; R136-F414 HydrophobicContact CB-CZ 3.8Å; R136-F414 HydrophobicContact CG-CZ 4.43Å; I313-F414 HydrophobicContact CD1-CZ 4.44Å; I313-F414 HydrophobicContact CG1-CE1 4.16Å; I313-F414 HydrophobicContact CG1-CZ 4.43Å; I313-F414 HydrophobicContact CG2-CE1 3.87Å; I313-F414 HydrophobicContact CG2-CZ 4.44Å; F317-F414 HydrophobicContact CE1-CB 4.2Å; F317-F414 AromaticContact CE1-CD1 3.62Å; F317-F414 HydrophobicContact CE1-CD1 3.62Å; F317-F414 HydrophobicContact CE1-CE1 4.39Å; F317-F414 HydrophobicContact CE1-CG 4.22Å; F317-F414 AromaticContact CZ-CD1 3.73Å; F317-F414 HydrophobicContact CZ-CD1 3.73Å; F317-F414 HydrophobicContact CZ-CE1 4.19Å; F317-F414 HydrophobicContact CZ-CG 4.27Å; S410-F414 WeakPolarHBondContact O-CB 3.47Å; S410-F414 PolarHBondContact O-N 3.47Å; E411-F414 WeakPolarHBondContact O-CB 3.49Å; E411-F414 PolarHBondContact O-N 3.46Å; A412-F414 VanDerWaalsContact C-N 3.32Å; A412-F414 PolarHBondContact O-N 2.81Å; F414-A416 VanDerWaalsContact C-N 3.29Å; F414-A416 PolarHBondContact O-N 2.93Å; F414-S417 PolarHBondContact O-N 3.08Å; F414-L418 HydrophobicContact CD2-CD1 4.26Å; F414-L418 HydrophobicContact CD2-CD2 4.25Å; F414-L418 HydrophobicContact CD2-CG 4.04Å; F414-L418 HydrophobicContact CE1-CD1 4.19Å; F414-L418 HydrophobicContact CE2-CD1 3.86Å; F414-L418 HydrophobicContact CE2-CD2 3.72Å; F414-L418 HydrophobicContact CE2-CG 3.86Å; F414-L418 HydrophobicContact CZ-CD1 3.83Å; F414-L418 HydrophobicContact CZ-CD2 4.34Å; F414-L418 HydrophobicContact CZ-CG 4.34Å; F414-L418 WeakPolarHBondContact O-CG 3.45Å; F414-L418 PolarHBondContact O-N 2.74Å
415Q98.3Very high97.9Very high0 Ų03 Ų30%01%0.013CC..Hα-helixtrans-58.5-40.1177.7-161.9-171.454.200111.8W292 E293 F317 W344 E411 A412 S417 L418 N419W292-Q415 HydrophobicContact CB-CG 3.98Å; W292-Q415 HydrophobicContact CG-CG 4.49Å; E293-Q415 PolarHBondContact OE1-NE2 3.34Å; F317-Q415 HydrophobicContact CD1-CB 4.38Å; F317-Q415 HydrophobicContact CD2-CG 4.32Å; F317-Q415 HydrophobicContact CE1-CB 3.86Å; F317-Q415 HydrophobicContact CE1-CG 4.48Å; F317-Q415 HydrophobicContact CE2-CB 4.2Å; F317-Q415 HydrophobicContact CE2-CG 3.98Å; F317-Q415 HydrophobicContact CZ-CB 3.76Å; F317-Q415 HydrophobicContact CZ-CG 4.07Å; W344-Q415 HydrophobicContact CZ2-CB 4.39Å; E411-Q415 PolarHBondContact O-N 3.49Å; A412-Q415 PolarHBondContact O-N 3.31Å; Q415-S417 PolarHBondContact O-N 3.31Å; Q415-L418 PolarHBondContact O-N 3.24Å; Q415-N419 WeakPolarHBondContact O-CB 3.35Å; Q415-N419 VanDerWaalsContact O-CG 3.27Å; Q415-N419 PolarHBondContact O-N 2.91Å; Q415-N419 PolarHBondContact O-ND2 3.11Å
416A98Very high97.8Very high0 Ų06.6 Ų6.60%03%0.03CC..Hα-helixtrans-58.8-47.2176.300000112.5L348 F351 I353 A412 R413 F414 N419 Y420L348-A416 HydrophobicContact CD2-CB 3.86Å; F351-A416 HydrophobicContact CB-CB 3.94Å; F351-A416 HydrophobicContact CD2-CB 3.87Å; F351-A416 HydrophobicContact CG-CB 3.98Å; I353-A416 HydrophobicContact CD1-CB 3.78Å; A412-A416 WeakPolarHBondContact O-CB 3.41Å; A412-A416 PolarHBondContact O-N 3.09Å; R413-A416 PolarHBondContact O-N 3.19Å; F414-A416 VanDerWaalsContact C-N 3.29Å; F414-A416 PolarHBondContact O-N 2.93Å; A416-N419 PolarHBondContact O-N 3.34Å; A416-Y420 VanDerWaalsContact O-CD2 3.26Å; A416-Y420 WeakPolarHBondContact O-CD2 3.47Å; A416-Y420 PolarHBondContact O-N 2.95Å
417S97.8Very high97.6Very high1 Ų111 Ų111%0.0075%0.05CC..Hα-helixtrans-62.7-42.9176.8-65.40000111.9L98 R413 F414 Q415 Y420 F421L98-S417 PolarHBondContact O-OG 2.81Å; R413-S417 PolarHBondContact O-N 3.1Å; R413-S417 PolarHBondContact O-OG 2.85Å; F414-S417 PolarHBondContact O-N 3.08Å; Q415-S417 PolarHBondContact O-N 3.31Å; S417-Y420 PolarHBondContact O-N 3.47Å; S417-F421 WeakPolarHBondContact O-CB 3.3Å; S417-F421 PolarHBondContact O-N 3.03Å
418L97.9Very high97.5Very high0 Ų014.3 Ų14.30%07%0.065CC..Hα-helixtrans-64.7-40.1178.8-62.1-169.9000112.2L132 W292 F300 I313 F317 F414 Q415 F421 S422L132-L418 HydrophobicContact CD1-CD1 4.21Å; L132-L418 HydrophobicContact CD1-CD2 3.77Å; W292-L418 HydrophobicContact CE3-CB 4.08Å; W292-L418 HydrophobicContact CE3-CD1 4Å; W292-L418 HydrophobicContact CH2-CD1 4.07Å; W292-L418 HydrophobicContact CZ3-CB 4.15Å; W292-L418 HydrophobicContact CZ3-CD1 3.58Å; W292-L418 HydrophobicContact CZ3-CG 4.47Å; F300-L418 HydrophobicContact CE1-CD2 4.21Å; F300-L418 HydrophobicContact CE2-CB 4.23Å; F300-L418 HydrophobicContact CE2-CD2 4.13Å; F300-L418 HydrophobicContact CZ-CD2 3.65Å; I313-L418 HydrophobicContact CG2-CD1 4.09Å; F317-L418 HydrophobicContact CE2-CD1 4.27Å; F317-L418 HydrophobicContact CZ-CD1 3.96Å; F414-L418 HydrophobicContact CD2-CD1 4.26Å; F414-L418 HydrophobicContact CD2-CD2 4.25Å; F414-L418 HydrophobicContact CD2-CG 4.04Å; F414-L418 HydrophobicContact CE1-CD1 4.19Å; F414-L418 HydrophobicContact CE2-CD1 3.86Å; F414-L418 HydrophobicContact CE2-CD2 3.72Å; F414-L418 HydrophobicContact CE2-CG 3.86Å; F414-L418 HydrophobicContact CZ-CD1 3.83Å; F414-L418 HydrophobicContact CZ-CD2 4.34Å; F414-L418 HydrophobicContact CZ-CG 4.34Å; F414-L418 WeakPolarHBondContact O-CG 3.45Å; F414-L418 PolarHBondContact O-N 2.74Å; Q415-L418 PolarHBondContact O-N 3.24Å; L418-F421 PolarHBondContact O-N 2.89Å; L418-S422 WeakPolarHBondContact O-CB 3.47Å; L418-S422 PolarHBondContact O-N 2.88Å; L418-S422 PolarHBondContact O-OG 2.84Å
419N97.5Very high97.2Very high0 Ų019.1 Ų19.10%09%0.089CC..Hα-helixtrans-59.4-50177.4-76.9-21.7000111.3L285 F290 W292 I353 Q415 A416 S422 R423L285-N419 HydrophobicContact CD2-CB 4.31Å; F290-N419 HydrophobicContact CD1-CB 4.44Å; F290-N419 VanDerWaalsContact CE1-O 3.25Å; F290-N419 WeakPolarHBondContact CE1-O 3.16Å; W292-N419 WeakPolarHBondContact CA-OD1 3.32Å; W292-N419 WeakPolarHBondContact CB-OD1 3.19Å; W292-N419 PolarHBondContact N-OD1 3.18Å; I353-N419 HydrophobicContact CD1-CB 4.18Å; Q415-N419 WeakPolarHBondContact O-CB 3.35Å; Q415-N419 VanDerWaalsContact O-CG 3.27Å; Q415-N419 PolarHBondContact O-N 2.91Å; Q415-N419 PolarHBondContact O-ND2 3.11Å; A416-N419 PolarHBondContact O-N 3.34Å; N419-S422 PolarHBondContact O-OG 3.32Å; N419-R423 VanDerWaalsContact O-CB 3.25Å; N419-R423 WeakPolarHBondContact O-CB 3.39Å; N419-R423 PolarHBondContact O-N 3.2Å
420Y97.6Very high96.7Very high0 Ų026.3 Ų26.30%013%0.133CC..Hα-helixtrans-66.6-40179.3-76.5-62.8000113.2P102 W103 L285 F351 G352 I353 A416 S417 A424P102-Y420 HydrophobicContact CB-CD2 3.88Å; P102-Y420 HydrophobicContact CB-CG 4.39Å; P102-Y420 HydrophobicContact CG-CD2 4.1Å; P102-Y420 WeakPolarHBondContact O-CB 3.35Å; W103-Y420 HydrophobicContact CB-CD1 4.2Å; W103-Y420 HydrophobicContact CB-CD2 4.4Å; W103-Y420 HydrophobicContact CB-CE1 3.69Å; W103-Y420 HydrophobicContact CB-CE2 3.91Å; L285-Y420 HydrophobicContact CB-CE1 3.94Å; L285-Y420 HydrophobicContact CD2-CD1 4.17Å; L285-Y420 HydrophobicContact CD2-CE1 3.87Å; F351-Y420 HydrophobicContact CB-CE2 4.39Å; F351-Y420 VanDerWaalsContact O-CE2 3.24Å; F351-Y420 WeakPolarHBondContact O-CE2 3.31Å; F351-Y420 PolarHBondContact O-OH 3.29Å; G352-Y420 PolarHBondContact O-OH 3.07Å; I353-Y420 HydrophobicContact CD1-CD2 4.36Å; I353-Y420 HydrophobicContact CD1-CE2 3.86Å; I353-Y420 HydrophobicContact CG1-CE2 3.77Å; A416-Y420 VanDerWaalsContact O-CD2 3.26Å; A416-Y420 WeakPolarHBondContact O-CD2 3.47Å; A416-Y420 PolarHBondContact O-N 2.95Å; S417-Y420 PolarHBondContact O-N 3.47Å; Y420-A424 PolarHBondContact O-N 3.28Å; Y420-A424 VanDerWaalsContact O-N 3.15Å
421F97.8Very high96.6Very high0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-68.3-48.9179.8-174.9-96.5000112.4I94 L98 T105 I110 L127 V128 A131 F300 S417 L418 R423 A424 V425I94-F421 HydrophobicContact CD1-CD2 4.45Å; I94-F421 HydrophobicContact CG1-CD2 4.49Å; I94-F421 HydrophobicContact CG1-CE2 4.25Å; L98-F421 HydrophobicContact CD1-CD2 4.22Å; L98-F421 HydrophobicContact CD2-CB 4.03Å; L98-F421 HydrophobicContact CD2-CD2 4.18Å; L98-F421 HydrophobicContact CD2-CG 4.49Å; T105-F421 HydrophobicContact CG2-CD2 4.02Å; I110-F421 HydrophobicContact CD1-CD2 4.33Å; I110-F421 HydrophobicContact CD1-CE2 3.52Å; I110-F421 HydrophobicContact CD1-CZ 3.81Å; L127-F421 HydrophobicContact CG-CZ 4.21Å; V128-F421 HydrophobicContact CB-CE1 4.42Å; V128-F421 HydrophobicContact CG2-CE1 4.06Å; A131-F421 HydrophobicContact CB-CD1 3.82Å; A131-F421 HydrophobicContact CB-CD2 3.78Å; A131-F421 HydrophobicContact CB-CE1 3.43Å; A131-F421 VanDerWaalsContact CB-CE1 3.43Å; A131-F421 HydrophobicContact CB-CE2 3.4Å; A131-F421 VanDerWaalsContact CB-CE2 3.4Å; A131-F421 HydrophobicContact CB-CG 3.98Å; A131-F421 HydrophobicContact CB-CZ 3.22Å; F300-F421 HydrophobicContact CE1-CD1 4.47Å; F300-F421 HydrophobicContact CE2-CD1 4.31Å; F300-F421 AromaticContact CZ-CD1 3.68Å; F300-F421 HydrophobicContact CZ-CD1 3.68Å; F300-F421 HydrophobicContact CZ-CE1 4.3Å; S417-F421 WeakPolarHBondContact O-CB 3.3Å; S417-F421 PolarHBondContact O-N 3.03Å; L418-F421 PolarHBondContact O-N 2.89Å; F421-R423 VanDerWaalsContact C-N 3.28Å; F421-R423 PolarHBondContact O-N 3.48Å; F421-A424 WeakPolarHBondContact O-CB 3.22Å; F421-A424 PolarHBondContact O-N 2.65Å; F421-A424 VanDerWaalsContact O-N 3.11Å; F421-V425 HydrophobicContact CD1-CG2 3.98Å; F421-V425 HydrophobicContact CE1-CG2 3.54Å; F421-V425 HydrophobicContact CZ-CG2 3.87Å; F421-V425 WeakPolarHBondContact O-CG2 3.41Å; F421-V425 PolarHBondContact O-N 3.33Å
422S97.3Very high96.5Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-63.8-33.6177.650.80000112.4F290 L418 N419 A424 V425 M426F290-S422 WeakPolarHBondContact CE1-OG 3.46Å; F290-S422 VanDerWaalsContact CZ-OG 3.22Å; F290-S422 WeakPolarHBondContact CZ-OG 3.24Å; L418-S422 WeakPolarHBondContact O-CB 3.47Å; L418-S422 PolarHBondContact O-N 2.88Å; L418-S422 PolarHBondContact O-OG 2.84Å; N419-S422 PolarHBondContact O-OG 3.32Å; S422-A424 PolarHBondContact O-N 2.99Å; S422-V425 PolarHBondContact O-N 2.91Å; S422-M426 WeakPolarHBondContact O-CB 3.39Å; S422-M426 PolarHBondContact O-N 3.28Å
423R96.7Very high96.4Very high47 Ų4730.6 Ų30.618%0.17716%0.155CC..Hα-helixtrans-59.9-44.7170.9-172.8-177.572.5169.43.4112F290 N419 F421 M426 Q427F290-R423 HydrophobicContact CD1-CB 4.14Å; F290-R423 HydrophobicContact CD2-CB 3.9Å; F290-R423 HydrophobicContact CD2-CG 3.92Å; F290-R423 HydrophobicContact CE1-CB 4.12Å; F290-R423 HydrophobicContact CE2-CB 3.84Å; F290-R423 HydrophobicContact CE2-CG 4.25Å; F290-R423 HydrophobicContact CG-CB 4.05Å; F290-R423 HydrophobicContact CG-CG 4.19Å; F290-R423 HydrophobicContact CZ-CB 3.97Å; F290-R423 VanDerWaalsContact CZ-N 3.28Å; N419-R423 VanDerWaalsContact O-CB 3.25Å; N419-R423 WeakPolarHBondContact O-CB 3.39Å; N419-R423 PolarHBondContact O-N 3.2Å; F421-R423 VanDerWaalsContact C-N 3.28Å; F421-R423 PolarHBondContact O-N 3.48Å; R423-M426 PolarHBondContact O-N 3.06Å; R423-Q427 VanDerWaalsContact O-CG 3.3Å; R423-Q427 WeakPolarHBondContact O-CG 3.42Å; R423-Q427 PolarHBondContact O-N 2.93Å
424A96.9Very high96.3Very high0 Ų032.4 Ų32.40%016%0.163CC..Hα-helixtrans-67.1-37.2177.100000112.6T105 I110 Y420 F421 S422 Q427 F428T105-A424 HydrophobicContact CG2-CB 3.73Å; I110-A424 HydrophobicContact CG1-CB 4.38Å; Y420-A424 PolarHBondContact O-N 3.28Å; Y420-A424 VanDerWaalsContact O-N 3.15Å; F421-A424 WeakPolarHBondContact O-CB 3.22Å; F421-A424 PolarHBondContact O-N 2.65Å; F421-A424 VanDerWaalsContact O-N 3.11Å; S422-A424 PolarHBondContact O-N 2.99Å; A424-Q427 PolarHBondContact O-N 3.37Å; A424-F428 WeakPolarHBondContact O-CB 3.48Å; A424-F428 PolarHBondContact O-N 3.37Å
425V96.9Very high96.1Very high0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-63.1-45.9173171.60000110.6I110 L124 V128 V299 L303 F421 S422 Q427 F428 M429I110-V425 HydrophobicContact CD1-CG2 4.06Å; I110-V425 HydrophobicContact CG1-CG2 4.39Å; L124-V425 HydrophobicContact CD1-CG1 4.36Å; V128-V425 HydrophobicContact CG2-CG2 4.27Å; V299-V425 HydrophobicContact CG1-CB 4.04Å; V299-V425 HydrophobicContact CG1-CG1 3.64Å; L303-V425 HydrophobicContact CD1-CG1 3.69Å; F421-V425 HydrophobicContact CD1-CG2 3.98Å; F421-V425 HydrophobicContact CE1-CG2 3.54Å; F421-V425 HydrophobicContact CZ-CG2 3.87Å; F421-V425 WeakPolarHBondContact O-CG2 3.41Å; F421-V425 PolarHBondContact O-N 3.33Å; S422-V425 PolarHBondContact O-N 2.91Å; V425-Q427 PolarHBondContact O-N 3.24Å; V425-F428 WeakPolarHBondContact O-CB 3.18Å; V425-F428 PolarHBondContact O-N 3.44Å; V425-F428 VanDerWaalsContact O-N 3.07Å; V425-M429 HydrophobicContact CG1-CG 4.4Å; V425-M429 HydrophobicContact CG1-SD 3.83Å; V425-M429 WeakPolarHBondContact O-CG 3.34Å; V425-M429 PolarHBondContact O-N 3.37Å
426M95.3Very high96Very high83 Ų8336.7 Ų36.741%0.40919%0.185SC..Hα-helixtrans-60.3-45.2177.5-170176.9-176.700111.3F290 Q295 V299 S422 R423 F428 M429 T430F290-M426 HydrophobicContact CE2-SD 3.91Å; Q295-M426 HydrophobicContact CB-SD 4.37Å; Q295-M426 HydrophobicContact CG-SD 4.26Å; V299-M426 HydrophobicContact CG2-CB 4.5Å; S422-M426 WeakPolarHBondContact O-CB 3.39Å; S422-M426 PolarHBondContact O-N 3.28Å; R423-M426 PolarHBondContact O-N 3.06Å; M426-F428 PolarHBondContact O-N 3.42Å; M426-M429 PolarHBondContact O-N 3.25Å; M426-M429 VanDerWaalsContact O-N 3.16Å; M426-T430 WeakPolarHBondContact O-CG2 3.37Å; M426-T430 PolarHBondContact O-N 3.34Å; M426-T430 VanDerWaalsContact O-N 3.12Å; M426-T430 PolarHBondContact O-OG1 3.35Å
427Q94.7Very high95.9Very high96 Ų9639.3 Ų39.345%0.44920%0.198SC..Hα-helixtrans-62.8-27.2174.3-73.2173.4-8.400113.9A107 R423 A424 V425 T430A107-Q427 HydrophobicContact CB-CB 4.07Å; R423-Q427 VanDerWaalsContact O-CG 3.3Å; R423-Q427 WeakPolarHBondContact O-CG 3.42Å; R423-Q427 PolarHBondContact O-N 2.93Å; A424-Q427 PolarHBondContact O-N 3.37Å; V425-Q427 PolarHBondContact O-N 3.24Å; Q427-T430 PolarHBondContact O-OG1 3.16Å; Q427-T430 VanDerWaalsContact O-OXT 3.14Å
428F94.7Very high95.7Very high70 Ų7042.2 Ų42.231%0.30721%0.213SC..Hα-helixtrans-78.5-30.8175.3168-99.2000112.3A107 I110 K111 C114 L124 A424 V425 M426A107-F428 HydrophobicContact CB-CB 4.05Å; I110-F428 HydrophobicContact CB-CB 4.1Å; I110-F428 HydrophobicContact CB-CD1 4.44Å; I110-F428 HydrophobicContact CB-CD2 4.21Å; I110-F428 HydrophobicContact CB-CG 3.99Å; I110-F428 HydrophobicContact CG2-CB 4Å; I110-F428 HydrophobicContact CG2-CD1 3.52Å; I110-F428 HydrophobicContact CG2-CD2 4.04Å; I110-F428 HydrophobicContact CG2-CE1 3.96Å; I110-F428 HydrophobicContact CG2-CE2 4.44Å; I110-F428 HydrophobicContact CG2-CG 3.56Å; I110-F428 HydrophobicContact CG2-CZ 4.4Å; K111-F428 HydrophobicContact CB-CD2 4.13Å; K111-F428 HydrophobicContact CB-CE2 3.97Å; K111-F428 HydrophobicContact CG-CE2 4.39Å; C114-F428 HydrophobicContact CB-CZ 4.34Å; L124-F428 HydrophobicContact CD1-CD1 4.36Å; L124-F428 HydrophobicContact CD1-CE1 4.31Å; A424-F428 WeakPolarHBondContact O-CB 3.48Å; A424-F428 PolarHBondContact O-N 3.37Å; V425-F428 WeakPolarHBondContact O-CB 3.18Å; V425-F428 PolarHBondContact O-N 3.44Å; V425-F428 VanDerWaalsContact O-N 3.07Å; M426-F428 PolarHBondContact O-N 3.42Å
429M92.6Very high95.5Very high101 Ų10145.8 Ų45.850%0.49823%0.231SC..Hα-helixtrans-82-21.8-179.5-68.7176.370.900113.4L124 L303 V425 M426L124-M429 HydrophobicContact CD2-CG 4.16Å; L124-M429 HydrophobicContact CD2-SD 4.06Å; L303-M429 HydrophobicContact CD1-SD 4.16Å; V425-M429 HydrophobicContact CG1-CG 4.4Å; V425-M429 HydrophobicContact CG1-SD 3.83Å; V425-M429 WeakPolarHBondContact O-CG 3.34Å; V425-M429 PolarHBondContact O-N 3.37Å; M426-M429 PolarHBondContact O-N 3.25Å; M426-M429 VanDerWaalsContact O-N 3.16Å
430T88.5Confident95.4Very high152 Ų15249.9 Ų49.993%0.93325%0.252SS*.  trans-91.10173570000111.2M426 Q427M426-T430 WeakPolarHBondContact O-CG2 3.37Å; M426-T430 PolarHBondContact O-N 3.34Å; M426-T430 VanDerWaalsContact O-N 3.12Å; M426-T430 PolarHBondContact O-OG1 3.35Å; Q427-T430 PolarHBondContact O-OG1 3.16Å; Q427-T430 VanDerWaalsContact O-OXT 3.14Å

Retrieved 430 of 430 residues in 1541.4 ms (Link to these results)

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