Z4YLV0_MOUSE Loading...

Nuclear pore complex protein Nup85

Functions as a component of the nuclear pore complex (NPC).

AlphaFold DB , UniProt , Accession Z4YLV0, Species MOUSE (Mus musculus, Mouse), Gene Nup85, Length 274 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
1D67.9Low83.9Confident120 Ų12049.1 Ų49.164%0.64226%0.256SS*.  0-51.10-50.1-13.6000112.2V3 T4 V5D1-V3 VanDerWaalsContact C-N 3.35Å; D1-V3 PolarHBondContact O-N 2.94Å; D1-T4 WeakPolarHBondContact O-CA 3.46Å; D1-T4 WeakPolarHBondContact O-CB 3.47Å; D1-T4 PolarHBondContact O-N 3.09Å; D1-V5 WeakPolarHBondContact O-CG2 3.39Å; D1-V5 PolarHBondContact O-N 3.42Å
2L83.2Confident84.1Confident111 Ų11146.2 Ų46.258%0.58124%0.241SC*.Hα-helixtrans-57.2-42.2178.8-172.165.6000114T4 V5 L6 M18L2-T4 VanDerWaalsContact C-N 3.34Å; L2-T4 PolarHBondContact O-N 3.39Å; L2-V5 PolarHBondContact O-N 2.99Å; L2-L6 HydrophobicContact CG-CD1 4.42Å; L2-L6 WeakPolarHBondContact O-CG 3.3Å; L2-L6 PolarHBondContact O-N 3.16Å; L2-M18 HydrophobicContact CD2-CE 4.33Å
3V84Confident84.2Confident8 Ų850.7 Ų50.75%0.04827%0.266CS..Hα-helixtrans-60.9-43.9175.1-179.50000110.8D1 V5 L6 V7 A15 M18 L19 L86D1-V3 VanDerWaalsContact C-N 3.35Å; D1-V3 PolarHBondContact O-N 2.94Å; V3-V5 PolarHBondContact O-N 3.39Å; V3-L6 PolarHBondContact O-N 3.27Å; V3-V7 HydrophobicContact CG1-CG2 4.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.47Å; V3-V7 PolarHBondContact O-N 3.25Å; V3-A15 HydrophobicContact CG1-CB 4.3Å; V3-M18 HydrophobicContact CG2-CB 3.87Å; V3-L19 HydrophobicContact CG1-CD1 4.42Å; V3-L19 HydrophobicContact CG1-CD2 4.06Å; V3-L19 HydrophobicContact CG1-CG 3.99Å; V3-L86 HydrophobicContact CG1-CD1 3.95Å
4T84.7Confident84.5Confident9 Ų952.3 Ų52.36%0.05527%0.271CS..Hα-helixtrans-59.9-45.7176.4-43.20000111.4D1 L2 L6 V7 L8 L86 I89 Q100 L103D1-T4 WeakPolarHBondContact O-CA 3.46Å; D1-T4 WeakPolarHBondContact O-CB 3.47Å; D1-T4 PolarHBondContact O-N 3.09Å; L2-T4 VanDerWaalsContact C-N 3.34Å; L2-T4 PolarHBondContact O-N 3.39Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 3.05Å; T4-V7 PolarHBondContact O-N 3.14Å; T4-L8 HydrophobicContact CG2-CD1 4.19Å; T4-L8 HydrophobicContact CG2-CG 4.46Å; T4-L8 VanDerWaalsContact O-CG 3.23Å; T4-L8 WeakPolarHBondContact O-CG 3.38Å; T4-L8 PolarHBondContact O-N 2.88Å; T4-L86 HydrophobicContact CG2-CD2 4.05Å; T4-I89 HydrophobicContact CG2-CD1 3.84Å; T4-Q100 HydrophobicContact CG2-CG 4.11Å; T4-L103 HydrophobicContact CG2-CD1 4.06Å
5V86.4Confident84.8Confident33 Ų3348.8 Ų48.820%0.225%0.253CS..Hα-helixtrans-59.5-43.8176.21750000111.5D1 L2 V3 V7 L8 Q9 L103D1-V5 WeakPolarHBondContact O-CG2 3.39Å; D1-V5 PolarHBondContact O-N 3.42Å; L2-V5 PolarHBondContact O-N 2.99Å; V3-V5 PolarHBondContact O-N 3.39Å; V5-V7 VanDerWaalsContact C-N 3.34Å; V5-V7 PolarHBondContact O-N 3.34Å; V5-L8 PolarHBondContact O-N 2.93Å; V5-Q9 HydrophobicContact CG1-CG 4.49Å; V5-Q9 WeakPolarHBondContact O-CB 3.39Å; V5-Q9 VanDerWaalsContact O-CG 3.29Å; V5-Q9 WeakPolarHBondContact O-CG 3.46Å; V5-Q9 PolarHBondContact O-N 3.16Å; V5-L103 HydrophobicContact CG2-CB 4.24Å; V5-L103 HydrophobicContact CG2-CD1 4.13Å; V5-L103 HydrophobicContact CG2-CD2 4.09Å; V5-L103 HydrophobicContact CG2-CG 4.4Å
6L86.8Confident85Confident12 Ų1251.4 Ų51.46%0.06326%0.258CS..Hα-helixtrans-63.7-39.5178.2-69.5169.6000112L2 V3 T4 Q9 G10 R11 E14 A15 M18L2-L6 HydrophobicContact CG-CD1 4.42Å; L2-L6 WeakPolarHBondContact O-CG 3.3Å; L2-L6 PolarHBondContact O-N 3.16Å; V3-L6 PolarHBondContact O-N 3.27Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 3.05Å; L6-Q9 PolarHBondContact O-N 2.86Å; L6-G10 PolarHBondContact O-N 3.39Å; L6-R11 HydrophobicContact CD2-CB 4.14Å; L6-R11 PolarHBondContact O-N 2.97Å; L6-E14 HydrophobicContact CD1-CB 4.05Å; L6-E14 HydrophobicContact CD2-CB 4.21Å; L6-A15 HydrophobicContact CB-CB 3.98Å; L6-M18 HydrophobicContact CD1-CG 4.3Å
7V87.3Confident85.1Confident0 Ų054.6 Ų54.60%027%0.272CS..Hα-helixtrans-66.1-44.1175174.30000110.9V3 T4 V5 Q9 G10 L12 A15 M40 L86 I89 M90 Y117V3-V7 HydrophobicContact CG1-CG2 4.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.47Å; V3-V7 PolarHBondContact O-N 3.25Å; T4-V7 PolarHBondContact O-N 3.14Å; V5-V7 VanDerWaalsContact C-N 3.34Å; V5-V7 PolarHBondContact O-N 3.34Å; V7-Q9 PolarHBondContact O-N 3.32Å; V7-G10 PolarHBondContact O-N 3.03Å; V7-L12 HydrophobicContact CG1-CD2 4.36Å; V7-L12 HydrophobicContact CG2-CD2 4.22Å; V7-A15 HydrophobicContact CG2-CB 3.79Å; V7-M40 HydrophobicContact CG2-CE 3.37Å; V7-M40 HydrophobicContact CG2-SD 4.41Å; V7-L86 HydrophobicContact CB-CD2 4.41Å; V7-L86 HydrophobicContact CG2-CD2 4.22Å; V7-I89 HydrophobicContact CG1-CG2 3.98Å; V7-M90 HydrophobicContact CG1-CG 3.99Å; V7-Y117 HydrophobicContact CG1-CE2 4.32Å; V7-Y117 WeakPolarHBondContact CG1-OH 3.38Å; V7-Y117 WeakPolarHBondContact O-CE2 3.41Å; V7-Y117 PolarHBondContact O-OH 3.23Å
8L86.4Confident85.2Confident3 Ų354.9 Ų54.92%0.01627%0.274CS..Hα-helixtrans-62.8-30.9176.3-66.5170.1000112.1T4 V5 G10 I89 L97 Q100 L103 L104 H109 T113T4-L8 HydrophobicContact CG2-CD1 4.19Å; T4-L8 HydrophobicContact CG2-CG 4.46Å; T4-L8 VanDerWaalsContact O-CG 3.23Å; T4-L8 WeakPolarHBondContact O-CG 3.38Å; T4-L8 PolarHBondContact O-N 2.88Å; V5-L8 PolarHBondContact O-N 2.93Å; L8-G10 VanDerWaalsContact C-N 3.31Å; L8-I89 HydrophobicContact CD2-CG2 3.88Å; L8-L97 HydrophobicContact CD2-CD2 3.65Å; L8-Q100 HydrophobicContact CD1-CB 4.13Å; L8-L103 HydrophobicContact CD1-CB 4.1Å; L8-L103 HydrophobicContact CD1-CD1 4.48Å; L8-L104 HydrophobicContact CB-CD2 4.15Å; L8-L104 HydrophobicContact CD1-CD2 4.09Å; L8-L104 HydrophobicContact CD1-CG 4.11Å; L8-L104 HydrophobicContact CD2-CD2 4.25Å; L8-L104 HydrophobicContact CG-CD2 4.39Å; L8-H109 PolarHBondContact O-NE2 2.84Å; L8-T113 HydrophobicContact CB-CG2 4.45Å; L8-T113 HydrophobicContact CD2-CG2 3.78Å; L8-T113 PolarHBondContact O-OG1 2.87Å
9Q85.7Confident85.2Confident94 Ų9452.1 Ų52.144%0.43926%0.26SS..THydrogen-bonded Turntrans-80.6-6.2174.5-70.8176-2.100114V5 L6 V7 R11V5-Q9 HydrophobicContact CG1-CG 4.49Å; V5-Q9 WeakPolarHBondContact O-CB 3.39Å; V5-Q9 VanDerWaalsContact O-CG 3.29Å; V5-Q9 WeakPolarHBondContact O-CG 3.46Å; V5-Q9 PolarHBondContact O-N 3.16Å; L6-Q9 PolarHBondContact O-N 2.86Å; V7-Q9 PolarHBondContact O-N 3.32Å; Q9-R11 VanDerWaalsContact C-N 3.26Å; Q9-R11 HydrophobicContact CB-CG 4.33Å; Q9-R11 PolarHBondContact O-N 3.22Å
10G83.9Confident85.2Confident32 Ų3251.8 Ų51.833%0.3327%0.266SS..THydrogen-bonded Turntrans74.410.3-174.500000114.6L6 V7 L8 L12L6-G10 PolarHBondContact O-N 3.39Å; V7-G10 PolarHBondContact O-N 3.03Å; L8-G10 VanDerWaalsContact C-N 3.31Å; G10-L12 PolarHBondContact O-N 3.33Å
11R86.9Confident85.2Confident118 Ų11855.6 Ų55.645%0.44528%0.28SS..  trans-83.162.8177.5-67.5174.174.4-177.59.5110.8L6 Q9 D13 E14 A15L6-R11 HydrophobicContact CD2-CB 4.14Å; L6-R11 PolarHBondContact O-N 2.97Å; Q9-R11 VanDerWaalsContact C-N 3.26Å; Q9-R11 HydrophobicContact CB-CG 4.33Å; Q9-R11 PolarHBondContact O-N 3.22Å; R11-D13 VanDerWaalsContact C-N 3.32Å; R11-D13 PolarHBondContact O-N 3.26Å; R11-E14 IonicContact CZ-OE1 3.75Å; R11-E14 IonicContact CZ-OE2 2.93Å; R11-E14 VanDerWaalsContact NE-CD 3.3Å; R11-E14 IonicContact NE-OE1 3.88Å; R11-E14 PolarHBondContact NE-OE1 3.39Å; R11-E14 IonicContact NE-OE2 3.01Å; R11-E14 PolarHBondContact NE-OE2 3.02Å; R11-E14 IonicContact NH1-OE2 2.68Å; R11-E14 IonicContact NH2-OE1 3.86Å; R11-E14 PolarHBondContact NH2-OE1 3.2Å; R11-E14 IonicContact NH2-OE2 3.17Å; R11-E14 PolarHBondContact NH2-OE2 3.12Å; R11-E14 PolarHBondContact O-N 3.48Å; R11-A15 PolarHBondContact O-N 3.18Å; R11-A15 VanDerWaalsContact O-N 3.11Å
12L86Confident85.8Confident14 Ų1453 Ų537%0.07326%0.264CS..Hα-helixtrans-64.7-32.2-172.7-68-168.4000114V7 G10 E14 A15 R16 M40 M43 Y117V7-L12 HydrophobicContact CG1-CD2 4.36Å; V7-L12 HydrophobicContact CG2-CD2 4.22Å; G10-L12 PolarHBondContact O-N 3.33Å; L12-E14 VanDerWaalsContact C-N 3.35Å; L12-E14 PolarHBondContact O-N 3.07Å; L12-A15 PolarHBondContact O-N 3.2Å; L12-R16 VanDerWaalsContact O-CB 3.28Å; L12-R16 WeakPolarHBondContact O-CB 3.44Å; L12-R16 PolarHBondContact O-N 3.07Å; L12-M40 HydrophobicContact CB-CB 4.21Å; L12-M40 HydrophobicContact CD1-CB 4.35Å; L12-M40 WeakPolarHBondContact CD1-O 3.42Å; L12-M40 HydrophobicContact CD2-CG 4.07Å; L12-M40 HydrophobicContact CD2-SD 4.35Å; L12-M43 HydrophobicContact CD1-CB 3.73Å; L12-M43 HydrophobicContact CD1-CG 4.05Å; L12-M43 HydrophobicContact CD1-SD 3.2Å; L12-M43 WeakPolarHBondContact CD1-SD 3.28Å; L12-M43 HydrophobicContact CG-SD 4.31Å; L12-Y117 WeakPolarHBondContact CD2-OH 3.27Å
13D85.9Confident85.8Confident105 Ų10548 Ų4856%0.56124%0.239SC*.Hα-helixtrans-63.9-39.5177.3-78.6-50.9000112.9R11 Q17R11-D13 VanDerWaalsContact C-N 3.32Å; R11-D13 PolarHBondContact O-N 3.26Å; D13-Q17 WeakPolarHBondContact O-CG 3.38Å; D13-Q17 PolarHBondContact O-N 3.05Å
14E87.8Confident85.7Confident73 Ų7353.8 Ų53.834%0.34127%0.27SS..Hα-helixtrans-74.8-40.4177.7-69.8175.3-142.100111.3L6 R11 L12 R16 Q17 M18L6-E14 HydrophobicContact CD1-CB 4.05Å; L6-E14 HydrophobicContact CD2-CB 4.21Å; R11-E14 IonicContact CZ-OE1 3.75Å; R11-E14 IonicContact CZ-OE2 2.93Å; R11-E14 VanDerWaalsContact NE-CD 3.3Å; R11-E14 IonicContact NE-OE1 3.88Å; R11-E14 PolarHBondContact NE-OE1 3.39Å; R11-E14 IonicContact NE-OE2 3.01Å; R11-E14 PolarHBondContact NE-OE2 3.02Å; R11-E14 IonicContact NH1-OE2 2.68Å; R11-E14 IonicContact NH2-OE1 3.86Å; R11-E14 PolarHBondContact NH2-OE1 3.2Å; R11-E14 IonicContact NH2-OE2 3.17Å; R11-E14 PolarHBondContact NH2-OE2 3.12Å; R11-E14 PolarHBondContact O-N 3.48Å; L12-E14 VanDerWaalsContact C-N 3.35Å; L12-E14 PolarHBondContact O-N 3.07Å; E14-R16 VanDerWaalsContact C-N 3.25Å; E14-R16 PolarHBondContact O-N 3.09Å; E14-Q17 PolarHBondContact O-N 2.88Å; E14-M18 WeakPolarHBondContact O-CG 3.47Å; E14-M18 PolarHBondContact O-N 3.11Å
15A88.4Confident85.5Confident0 Ų057.3 Ų57.30%030%0.3CS..Hα-helixtrans-56.3-43.917200000110.8V3 L6 V7 R11 L12 M18 L19 M40V3-A15 HydrophobicContact CG1-CB 4.3Å; L6-A15 HydrophobicContact CB-CB 3.98Å; V7-A15 HydrophobicContact CG2-CB 3.79Å; R11-A15 PolarHBondContact O-N 3.18Å; R11-A15 VanDerWaalsContact O-N 3.11Å; L12-A15 PolarHBondContact O-N 3.2Å; A15-M18 PolarHBondContact O-N 3.14Å; A15-L19 WeakPolarHBondContact O-CG 3.5Å; A15-L19 PolarHBondContact O-N 3.06Å; A15-M40 HydrophobicContact CB-CE 4.37Å; A15-M40 HydrophobicContact CB-SD 3.9Å
16R88.3Confident85.3Confident90 Ų9060 Ų6034%0.3431%0.313SS..Hα-helixtrans-63.1-43.2176.6-172-177.571.783.41.8112.7L12 E14 M18 L19 A20 G37L12-R16 VanDerWaalsContact O-CB 3.28Å; L12-R16 WeakPolarHBondContact O-CB 3.44Å; L12-R16 PolarHBondContact O-N 3.07Å; E14-R16 VanDerWaalsContact C-N 3.25Å; E14-R16 PolarHBondContact O-N 3.09Å; R16-M18 VanDerWaalsContact C-N 3.27Å; R16-M18 PolarHBondContact O-N 2.79Å; R16-L19 PolarHBondContact O-N 3.3Å; R16-A20 WeakPolarHBondContact O-CB 3.46Å; R16-A20 PolarHBondContact O-N 2.89Å; R16-G37 WeakPolarHBondContact CD-O 3.39Å
17Q87.5Confident84.8Confident106 Ų10664.5 Ų64.550%0.49534%0.343SS..Hα-helixtrans-62.6-36.8176.4-72.8174.331.200111.9D13 E14 K21D13-Q17 WeakPolarHBondContact O-CG 3.38Å; D13-Q17 PolarHBondContact O-N 3.05Å; E14-Q17 PolarHBondContact O-N 2.88Å; Q17-K21 WeakPolarHBondContact O-CG 3.45Å; Q17-K21 PolarHBondContact O-N 2.97Å
18M85.9Confident84.3Confident60 Ų6069 Ų6930%0.29638%0.375SS..Hα-helixtrans-70.8-41.5175.7-68.5-59.5-63.300111.8L2 V3 L6 E14 A15 R16 A20 K21 E22L2-M18 HydrophobicContact CD2-CE 4.33Å; V3-M18 HydrophobicContact CG2-CB 3.87Å; L6-M18 HydrophobicContact CD1-CG 4.3Å; E14-M18 WeakPolarHBondContact O-CG 3.47Å; E14-M18 PolarHBondContact O-N 3.11Å; A15-M18 PolarHBondContact O-N 3.14Å; R16-M18 VanDerWaalsContact C-N 3.27Å; R16-M18 PolarHBondContact O-N 2.79Å; M18-A20 VanDerWaalsContact C-N 3.31Å; M18-A20 PolarHBondContact O-N 3.41Å; M18-K21 PolarHBondContact O-N 3.33Å; M18-K21 HydrophobicContact SD-CD 4.35Å; M18-E22 PolarHBondContact O-N 3.11Å
19L85Confident83.8Confident1 Ų169.8 Ų69.81%0.00538%0.38CS..Hα-helixtrans-62.7-35.7173.9-74.4173.4000112.6V3 A15 R16 E22 A23 L36 M40 L83V3-L19 HydrophobicContact CG1-CD1 4.42Å; V3-L19 HydrophobicContact CG1-CD2 4.06Å; V3-L19 HydrophobicContact CG1-CG 3.99Å; A15-L19 WeakPolarHBondContact O-CG 3.5Å; A15-L19 PolarHBondContact O-N 3.06Å; R16-L19 PolarHBondContact O-N 3.3Å; L19-E22 PolarHBondContact O-N 3.42Å; L19-A23 WeakPolarHBondContact O-CB 3.29Å; L19-A23 PolarHBondContact O-N 3.25Å; L19-L36 HydrophobicContact CD1-CD2 3.88Å; L19-L36 HydrophobicContact CD1-CG 4.2Å; L19-M40 HydrophobicContact CD1-CE 3.76Å; L19-M40 HydrophobicContact CD1-SD 3.68Å; L19-L83 HydrophobicContact CD2-CD2 3.92Å
20A85.1Confident83.6Confident46 Ų4666 Ų6638%0.3837%0.365SS..Hα-helixtrans-63.5-42.5174.700000111.6R16 M18 A23 D24R16-A20 WeakPolarHBondContact O-CB 3.46Å; R16-A20 PolarHBondContact O-N 2.89Å; M18-A20 VanDerWaalsContact C-N 3.31Å; M18-A20 PolarHBondContact O-N 3.41Å; A20-A23 WeakPolarHBondContact O-CB 3.2Å; A20-A23 PolarHBondContact O-N 3.42Å; A20-D24 PolarHBondContact O-N 2.89Å
21K85.5Confident83.4Confident132 Ų13266.8 Ų66.857%0.57437%0.373SS*.Hα-helixtrans-65.1-38.5174.3-68.2174.2-177.2175.30112.2Q17 M18 A23 D24 A25Q17-K21 WeakPolarHBondContact O-CG 3.45Å; Q17-K21 PolarHBondContact O-N 2.97Å; M18-K21 PolarHBondContact O-N 3.33Å; M18-K21 HydrophobicContact SD-CD 4.35Å; K21-A23 VanDerWaalsContact C-N 3.32Å; K21-D24 PolarHBondContact O-N 3.31Å; K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 2.87Å
22E81.4Confident83.3Confident65 Ų6562.1 Ų62.130%0.30436%0.357SS..Hα-helixtrans-66.2-35.2174.1-73-169.4168.600112.1M18 L19 A25 N26 R82M18-E22 PolarHBondContact O-N 3.11Å; L19-E22 PolarHBondContact O-N 3.42Å; E22-A25 PolarHBondContact O-N 3Å; E22-N26 PolarHBondContact O-N 2.82Å; E22-R82 IonicContact OE1-NH1 3.65Å
23A82.3Confident83.2Confident7 Ų761.8 Ų61.86%0.05836%0.355CS..Hα-helixtrans-65.3-39.4174.500000112.2L19 A20 K21 A30 C33L19-A23 WeakPolarHBondContact O-CB 3.29Å; L19-A23 PolarHBondContact O-N 3.25Å; A20-A23 WeakPolarHBondContact O-CB 3.2Å; A20-A23 PolarHBondContact O-N 3.42Å; K21-A23 VanDerWaalsContact C-N 3.32Å; A23-A30 HydrophobicContact CB-CB 4.03Å; A23-A30 WeakPolarHBondContact O-CB 3.45Å; A23-C33 HydrophobicContact CB-CB 3.86Å
24D81.7Confident83.1Confident129 Ų12964.7 Ų64.769%0.6936%0.359SS*.Hα-helixtrans-69.7-34.3176.4-67.6-26000111.9A20 K21A20-D24 PolarHBondContact O-N 2.89Å; K21-D24 PolarHBondContact O-N 3.31Å
25A82.3Confident83.1Confident84 Ų8463.1 Ų63.169%0.69435%0.354SS*.Hα-helixtrans-76.8-29.8177.700000113.3K21 E22K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 2.87Å; E22-A25 PolarHBondContact O-N 3Å
26N80.9Confident82.9Confident89 Ų8963.1 Ų63.148%0.47635%0.354SS..  trans-133.191-172.2-139.4-3.7000112.2E22 S28 C29 A30E22-N26 PolarHBondContact O-N 2.82Å; N26-S28 VanDerWaalsContact C-N 3.25Å; N26-S28 PolarHBondContact O-N 3.4Å; N26-S28 VanDerWaalsContact O-N 3.16Å; N26-C29 PolarHBondContact O-N 2.94Å; N26-C29 VanDerWaalsContact O-N 3.09Å; N26-A30 PolarHBondContact O-N 2.74Å
27P77.5Confident82.9Confident106 Ų10659.1 Ų59.169%0.68834%0.341SS*.THydrogen-bonded Turntrans-61.3-28.2-172.3-23.232.2000114.7C29 A30P27-C29 VanDerWaalsContact C-N 3.28Å; P27-C29 PolarHBondContact O-N 3.32Å; P27-A30 WeakPolarHBondContact O-CB 3.45Å; P27-A30 PolarHBondContact O-N 3.34Å
28S75.9Confident82.8Confident96 Ų9657.8 Ų57.867%0.67134%0.337SS*.THydrogen-bonded Turntrans-67.4-28.1178.757.50000113N26N26-S28 VanDerWaalsContact C-N 3.25Å; N26-S28 PolarHBondContact O-N 3.4Å; N26-S28 VanDerWaalsContact O-N 3.16Å
29C76.6Confident82.9Confident18 Ų1855.2 Ų55.212%0.12232%0.324CS..THydrogen-bonded Turntrans-102.2-4.5179.4-63.20000112.7N26 P27 G31 M32 C33N26-C29 PolarHBondContact O-N 2.94Å; N26-C29 VanDerWaalsContact O-N 3.09Å; P27-C29 VanDerWaalsContact C-N 3.28Å; P27-C29 PolarHBondContact O-N 3.32Å; C29-G31 VanDerWaalsContact C-N 3.32Å; C29-G31 PolarHBondContact O-N 3.48Å; C29-M32 HydrophobicContact CB-CE 4.09Å; C29-M32 PolarHBondContact O-N 2.91Å; C29-M32 VanDerWaalsContact O-N 3.16Å; C29-C33 PolarHBondContact O-N 3.14Å; C29-C33 PolarHBondContact O-SG 3.48Å; C29-C33 VanDerWaalsContact O-SG 3.34Å
30A80.8Confident83.1Confident15 Ų1555.5 Ų55.512%0.12433%0.326CS..Hα-helixtrans-59.8-38.3-172.600000113.5A23 N26 P27 R34A23-A30 HydrophobicContact CB-CB 4.03Å; A23-A30 WeakPolarHBondContact O-CB 3.45Å; N26-A30 PolarHBondContact O-N 2.74Å; P27-A30 WeakPolarHBondContact O-CB 3.45Å; P27-A30 PolarHBondContact O-N 3.34Å; A30-R34 VanDerWaalsContact O-CG 3.3Å; A30-R34 WeakPolarHBondContact O-CG 3.48Å; A30-R34 PolarHBondContact O-N 2.89Å
31G80.8Confident83.2Confident49 Ų4960.7 Ų60.751%0.50534%0.336SS..Hα-helixtrans-63-48.2175.800000112.3C29 R34 V35C29-G31 VanDerWaalsContact C-N 3.32Å; C29-G31 PolarHBondContact O-N 3.48Å; G31-R34 PolarHBondContact O-N 2.92Å; G31-V35 WeakPolarHBondContact O-CG2 3.4Å; G31-V35 PolarHBondContact O-N 2.93Å; G31-V35 VanDerWaalsContact O-N 3.11Å
32M83.9Confident83.3Confident20 Ų2057.7 Ų57.710%0.09933%0.328CS..Hα-helixtrans-64.1-43.1178.5-66.5179.3-75.800112C29 R34 V35 L36 T76 F77 A79 N80 L83C29-M32 HydrophobicContact CB-CE 4.09Å; C29-M32 PolarHBondContact O-N 2.91Å; C29-M32 VanDerWaalsContact O-N 3.16Å; M32-R34 VanDerWaalsContact C-N 3.31Å; M32-R34 PolarHBondContact O-N 3.22Å; M32-V35 PolarHBondContact O-N 3.25Å; M32-L36 PolarHBondContact O-N 3.1Å; M32-T76 WeakPolarHBondContact CG-O 3.34Å; M32-F77 HydrophobicContact CB-CD1 4.01Å; M32-F77 HydrophobicContact CB-CE1 4.22Å; M32-F77 HydrophobicContact CG-CD1 4.25Å; M32-A79 HydrophobicContact CE-CB 3.86Å; M32-A79 HydrophobicContact SD-CB 4.07Å; M32-N80 HydrophobicContact CE-CB 4.16Å; M32-N80 HydrophobicContact SD-CB 4.42Å; M32-L83 HydrophobicContact CB-CD1 3.59Å
33C83.3Confident83.4Confident6 Ų655.5 Ų55.54%0.04132%0.318CS..Hα-helixtrans-63.7-34.8177.3-67.90000112.5A23 C29 G37A23-C33 HydrophobicContact CB-CB 3.86Å; C29-C33 PolarHBondContact O-N 3.14Å; C29-C33 PolarHBondContact O-SG 3.48Å; C29-C33 VanDerWaalsContact O-SG 3.34Å; C33-G37 PolarHBondContact O-N 3.3Å
34R85.1Confident83.5Confident167 Ų16756.4 Ų56.463%0.6332%0.324SS*.Hα-helixtrans-67.2-46.9174.7-76.6177.3-172.2173.83.8111.7A30 G31 M32 L36 G37 D38A30-R34 VanDerWaalsContact O-CG 3.3Å; A30-R34 WeakPolarHBondContact O-CG 3.48Å; A30-R34 PolarHBondContact O-N 2.89Å; G31-R34 PolarHBondContact O-N 2.92Å; M32-R34 VanDerWaalsContact C-N 3.31Å; M32-R34 PolarHBondContact O-N 3.22Å; R34-L36 PolarHBondContact O-N 3.32Å; R34-G37 CarbonylContact O-C 3.41Å; R34-G37 PolarHBondContact O-N 3.48Å; R34-D38 WeakPolarHBondContact O-CB 3.49Å; R34-D38 PolarHBondContact O-N 3.31Å
35V86.5Confident83.5Confident40 Ų4055.8 Ų55.824%0.24232%0.319CS..Hα-helixtrans-58.2-49.7176.7174.10000110.6G31 M32 G37 D38 L39 F77G31-V35 WeakPolarHBondContact O-CG2 3.4Å; G31-V35 PolarHBondContact O-N 2.93Å; G31-V35 VanDerWaalsContact O-N 3.11Å; M32-V35 PolarHBondContact O-N 3.25Å; V35-G37 VanDerWaalsContact C-N 3.33Å; V35-G37 PolarHBondContact O-N 2.98Å; V35-D38 PolarHBondContact O-N 3.05Å; V35-L39 HydrophobicContact CG1-CD1 4.45Å; V35-L39 WeakPolarHBondContact O-CG 3.23Å; V35-L39 PolarHBondContact O-N 3.48Å; V35-F77 HydrophobicContact CG1-CZ 4.18Å
36L85.8Confident82.9Confident0 Ų056.8 Ų56.80%031%0.312CS..Hα-helixtrans-63.2-39.9178.2-170.367.4000111.8L19 M32 R34 D38 L39 M40 F77 L83 L86 C87 M90L19-L36 HydrophobicContact CD1-CD2 3.88Å; L19-L36 HydrophobicContact CD1-CG 4.2Å; M32-L36 PolarHBondContact O-N 3.1Å; R34-L36 PolarHBondContact O-N 3.32Å; L36-D38 VanDerWaalsContact C-N 3.32Å; L36-D38 PolarHBondContact O-N 2.87Å; L36-L39 PolarHBondContact O-N 3.22Å; L36-M40 HydrophobicContact CD2-CE 4.08Å; L36-M40 HydrophobicContact CG-CE 4Å; L36-M40 VanDerWaalsContact O-CG 3.31Å; L36-M40 WeakPolarHBondContact O-CG 3.32Å; L36-M40 PolarHBondContact O-N 3.41Å; L36-F77 HydrophobicContact CB-CE1 4.2Å; L36-F77 HydrophobicContact CB-CZ 4.38Å; L36-F77 HydrophobicContact CD1-CZ 4.36Å; L36-L83 HydrophobicContact CD2-CD2 3.8Å; L36-L86 HydrophobicContact CD2-CB 3.98Å; L36-L86 HydrophobicContact CD2-CD1 4.05Å; L36-C87 HydrophobicContact CD1-CB 4.31Å; L36-M90 HydrophobicContact CD1-SD 3.81Å
37G86.5Confident82.3Confident6 Ų655.3 Ų55.36%0.06231%0.309CS..Hα-helixtrans-65-32.8175.300000113.7R16 C33 R34 V35 R41R16-G37 WeakPolarHBondContact CD-O 3.39Å; C33-G37 PolarHBondContact O-N 3.3Å; R34-G37 CarbonylContact O-C 3.41Å; R34-G37 PolarHBondContact O-N 3.48Å; V35-G37 VanDerWaalsContact C-N 3.33Å; V35-G37 PolarHBondContact O-N 2.98Å; G37-R41 PolarHBondContact O-N 3.12Å; G37-R41 VanDerWaalsContact O-N 3.16Å
38D87.1Confident81.4Confident77 Ų7757.2 Ų57.241%0.41232%0.321SS..Hα-helixtrans-70.2-43.6173.4-82.2-40.8000111.2R34 V35 L36 M40 R41 T42R34-D38 WeakPolarHBondContact O-CB 3.49Å; R34-D38 PolarHBondContact O-N 3.31Å; V35-D38 PolarHBondContact O-N 3.05Å; L36-D38 VanDerWaalsContact C-N 3.32Å; L36-D38 PolarHBondContact O-N 2.87Å; D38-M40 VanDerWaalsContact C-N 3.3Å; D38-M40 PolarHBondContact O-N 2.94Å; D38-R41 WeakPolarHBondContact O-CB 3.31Å; D38-R41 PolarHBondContact O-N 3.34Å; D38-R41 VanDerWaalsContact O-N 3.08Å; D38-R41 IonicContact OD1-CZ 3.53Å; D38-R41 IonicContact OD1-NE 3.29Å; D38-R41 IonicContact OD1-NH2 2.81Å; D38-R41 PolarHBondContact OD1-NH2 3.02Å; D38-T42 WeakPolarHBondContact O-CG2 3.35Å; D38-T42 PolarHBondContact O-N 3.48Å; D38-T42 PolarHBondContact O-OG1 3.4Å
39L88.2Confident80.6Confident7 Ų756.4 Ų56.44%0.03733%0.328CS..Hα-helixtrans-58.9-41.7172.8-67.6173.3000111.7V35 L36 R41 T42 M43 W64 E67 M90V35-L39 HydrophobicContact CG1-CD1 4.45Å; V35-L39 WeakPolarHBondContact O-CG 3.23Å; V35-L39 PolarHBondContact O-N 3.48Å; L36-L39 PolarHBondContact O-N 3.22Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.24Å; L39-T42 PolarHBondContact O-N 2.97Å; L39-T42 PolarHBondContact O-OG1 3.22Å; L39-M43 PolarHBondContact O-N 3.41Å; L39-W64 PolarHBondContact O-NE1 3.34Å; L39-E67 HydrophobicContact CD2-CB 4.29Å; L39-M90 HydrophobicContact CB-CE 4.24Å
40M87.5Confident80Confident6 Ų659.9 Ų59.93%0.0335%0.346CS..Hα-helixtrans-63.1-34.3175.8-74.2-178.6179.600112.5V7 L12 A15 L19 L36 D38 M90V7-M40 HydrophobicContact CG2-CE 3.37Å; V7-M40 HydrophobicContact CG2-SD 4.41Å; L12-M40 HydrophobicContact CB-CB 4.21Å; L12-M40 HydrophobicContact CD1-CB 4.35Å; L12-M40 WeakPolarHBondContact CD1-O 3.42Å; L12-M40 HydrophobicContact CD2-CG 4.07Å; L12-M40 HydrophobicContact CD2-SD 4.35Å; A15-M40 HydrophobicContact CB-CE 4.37Å; A15-M40 HydrophobicContact CB-SD 3.9Å; L19-M40 HydrophobicContact CD1-CE 3.76Å; L19-M40 HydrophobicContact CD1-SD 3.68Å; L36-M40 HydrophobicContact CD2-CE 4.08Å; L36-M40 HydrophobicContact CG-CE 4Å; L36-M40 VanDerWaalsContact O-CG 3.31Å; L36-M40 WeakPolarHBondContact O-CG 3.32Å; L36-M40 PolarHBondContact O-N 3.41Å; D38-M40 VanDerWaalsContact C-N 3.3Å; D38-M40 PolarHBondContact O-N 2.94Å; M40-M90 HydrophobicContact CB-CE 4.48Å; M40-M90 HydrophobicContact CE-SD 3.67Å; M40-M90 HydrophobicContact CG-CE 3.66Å; M40-M90 HydrophobicContact CG-SD 3.84Å
41R87.3Confident79.5Confident156 Ų15666 Ų6659%0.58938%0.381SS*.Hα-helixtrans-75.3-34.5178.8-179.8179.261.2147.9-6.3112.4G37 D38 L39 M43G37-R41 PolarHBondContact O-N 3.12Å; G37-R41 VanDerWaalsContact O-N 3.16Å; D38-R41 WeakPolarHBondContact O-CB 3.31Å; D38-R41 PolarHBondContact O-N 3.34Å; D38-R41 VanDerWaalsContact O-N 3.08Å; D38-R41 IonicContact OD1-CZ 3.53Å; D38-R41 IonicContact OD1-NE 3.29Å; D38-R41 IonicContact OD1-NH2 2.81Å; D38-R41 PolarHBondContact OD1-NH2 3.02Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.24Å; R41-M43 VanDerWaalsContact C-N 3.25Å; R41-M43 PolarHBondContact O-N 3.46Å
42T87.3Confident79.3Confident68 Ų6866.2 Ų66.242%0.41737%0.369SS..Hα-helixtrans-81.9-4.1-178.754.60000113.1D38 L39 P44D38-T42 WeakPolarHBondContact O-CG2 3.35Å; D38-T42 PolarHBondContact O-N 3.48Å; D38-T42 PolarHBondContact O-OG1 3.4Å; L39-T42 PolarHBondContact O-N 2.97Å; L39-T42 PolarHBondContact O-OG1 3.22Å; T42-P44 VanDerWaalsContact O-CD 3.27Å; T42-P44 WeakPolarHBondContact O-CD 3.44Å
43M85.3Confident79.2Confident19 Ų1968.2 Ų68.29%0.09438%0.383CS..  trans-54.5121.3177.8-170.7-174.3-172.600110.8L12 L39 R41 I45 W64 L116 Y117L12-M43 HydrophobicContact CD1-CB 3.73Å; L12-M43 HydrophobicContact CD1-CG 4.05Å; L12-M43 HydrophobicContact CD1-SD 3.2Å; L12-M43 WeakPolarHBondContact CD1-SD 3.28Å; L12-M43 HydrophobicContact CG-SD 4.31Å; L39-M43 PolarHBondContact O-N 3.41Å; R41-M43 VanDerWaalsContact C-N 3.25Å; R41-M43 PolarHBondContact O-N 3.46Å; M43-I45 PolarHBondContact O-N 2.98Å; M43-W64 HydrophobicContact CB-CZ2 4.2Å; M43-W64 HydrophobicContact CG-CH2 4.42Å; M43-W64 HydrophobicContact CG-CZ2 4.06Å; M43-L116 HydrophobicContact CE-CD1 3.59Å; M43-L116 HydrophobicContact CE-CG 3.8Å; M43-Y117 HydrophobicContact CE-CD1 4.08Å; M43-Y117 HydrophobicContact CE-CE1 3.94Å; M43-Y117 HydrophobicContact SD-CE1 4.22Å
44P83.7Confident79.1Confident27 Ų2773.4 Ų73.418%0.17541%0.41CS..  trans-68.7127.6179.1-22.836.4000111.6T42 L57 K60 W61 W64T42-P44 VanDerWaalsContact O-CD 3.27Å; T42-P44 WeakPolarHBondContact O-CD 3.44Å; P44-L57 HydrophobicContact CB-CD1 3.88Å; P44-K60 HydrophobicContact CB-CB 4.14Å; P44-K60 HydrophobicContact CG-CB 3.8Å; P44-W61 HydrophobicContact CG-CB 4.32Å; P44-W64 HydrophobicContact CG-CB 4.31Å
45I80.8Confident79.1Confident116 Ų11670.1 Ų70.160%0.59541%0.408SS*.  trans-124.2146.5174.257.1170.1000110.7M43 S47M43-I45 PolarHBondContact O-N 2.98Å; I45-S47 PolarHBondContact O-N 3.18Å; I45-S47 VanDerWaalsContact O-N 3.11Å
46L69.4Low79Confident104 Ų10472.1 Ų72.155%0.54542%0.415SS..  trans-72.5100.3173.1-88.9147.2000109.9L54 L57L46-L54 HydrophobicContact CD1-CD2 4.44Å; L46-L54 HydrophobicContact CD2-CD2 4.4Å; L46-L57 HydrophobicContact CD1-CD2 3.44Å; L46-L57 VanDerWaalsContact CD1-CD2 3.44Å; L46-L57 HydrophobicContact CD2-CD2 4.2Å; L46-L57 HydrophobicContact CG-CD1 4.33Å; L46-L57 HydrophobicContact CG-CD2 3.51Å; L46-L57 HydrophobicContact CG-CG 4.48Å
47S69Low79Confident58 Ų5872.4 Ų72.441%0.40642%0.416SS..  trans-81121.8172.6-67.20000110.3I45 G49 N50I45-S47 PolarHBondContact O-N 3.18Å; I45-S47 VanDerWaalsContact O-N 3.11Å; S47-G49 PolarHBondContact O-N 2.77Å; S47-N50 PolarHBondContact O-N 3.23Å; S47-N50 VanDerWaalsContact O-N 3.11Å
48P58.5Low78.9Confident147 Ų14774 Ų7496%0.95542%0.422SS*.THydrogen-bonded Turntrans-66.1-7.1-173.722.8-31.9000115.2
49G60.1Low78.9Confident79 Ų7975.7 Ų75.781%0.81443%0.43SS*.THydrogen-bonded Turntrans-102.3-0.1176.500000115.3S47S47-G49 PolarHBondContact O-N 2.77Å
50N64.2Low79Confident91 Ų9179.9 Ų79.949%0.48745%0.448SS..  trans-102.6138.3-174.6-119.2-1.5000111.3S47 Q52S47-N50 PolarHBondContact O-N 3.23Å; S47-N50 VanDerWaalsContact O-N 3.11Å; N50-Q52 HydrophobicContact CB-CG 4.13Å; N50-Q52 PolarHBondContact ND2-NE2 3.41Å; N50-Q52 PolarHBondContact O-N 3.11Å
51T69.7Low79.1Confident142 Ų14280 Ų8087%0.87145%0.448SS*.  trans-75.931.9172.9570000112.5
52Q76.6Confident79.1Confident54 Ų5476.5 Ų76.525%0.25244%0.439SS..  trans-75.6131.5-179.3-75.8-17810.400109.7N50 K60N50-Q52 HydrophobicContact CB-CG 4.13Å; N50-Q52 PolarHBondContact ND2-NE2 3.41Å; N50-Q52 PolarHBondContact O-N 3.11Å; Q52-K60 VanDerWaalsContact NE2-NZ 3.18Å
53T82.3Confident79.3Confident63 Ų6378 Ų7839%0.38744%0.441SS..  trans-75.4152.5173.359.60000110.5T55 E56 L57T53-T55 PolarHBondContact O-N 3.22Å; T53-T55 PolarHBondContact OG1-OG1 2.86Å; T53-E56 PolarHBondContact O-N 3.38Å; T53-E56 VanDerWaalsContact O-N 3.09Å; T53-E56 VanDerWaalsContact OG1-CD 3.27Å; T53-E56 VanDerWaalsContact OG1-CG 3.26Å; T53-E56 WeakPolarHBondContact OG1-CG 3.34Å; T53-E56 PolarHBondContact OG1-N 3.16Å; T53-E56 PolarHBondContact OG1-OE1 3.45Å; T53-L57 PolarHBondContact O-N 3.29Å
54L80.8Confident79.6Confident115 Ų11577.3 Ų77.360%0.60244%0.437SS*.Hα-helixtrans-57.1-33.3175-71174.6000112.1L46 L57 E58L46-L54 HydrophobicContact CD1-CD2 4.44Å; L46-L54 HydrophobicContact CD2-CD2 4.4Å; L54-L57 PolarHBondContact O-N 3.07Å; L54-E58 WeakPolarHBondContact O-CB 3.22Å; L54-E58 PolarHBondContact O-N 3.19Å
55T83.6Confident79.9Confident97 Ų9781.1 Ų81.160%0.59545%0.448SS*.Hα-helixtrans-66.5-38.7175.841.80000113.1T53 E58 L59T53-T55 PolarHBondContact O-N 3.22Å; T53-T55 PolarHBondContact OG1-OG1 2.86Å; T55-E58 PolarHBondContact O-N 3.34Å; T55-L59 WeakPolarHBondContact O-CG 3.28Å; T55-L59 PolarHBondContact O-N 3.24Å
56E85.3Confident80.3Confident82 Ų8280.4 Ų80.438%0.38344%0.442SS..Hα-helixtrans-67.5-38175.8-78.7162.7-133.800112T53 K60T53-E56 PolarHBondContact O-N 3.38Å; T53-E56 VanDerWaalsContact O-N 3.09Å; T53-E56 VanDerWaalsContact OG1-CD 3.27Å; T53-E56 VanDerWaalsContact OG1-CG 3.26Å; T53-E56 WeakPolarHBondContact OG1-CG 3.34Å; T53-E56 PolarHBondContact OG1-N 3.16Å; T53-E56 PolarHBondContact OG1-OE1 3.45Å; E56-K60 WeakPolarHBondContact O-CG 3.15Å; E56-K60 PolarHBondContact O-N 3.13Å; E56-K60 VanDerWaalsContact O-N 3.09Å
57L85.8Confident81.3Confident6 Ų678.1 Ų78.13%0.03143%0.429CS..Hα-helixtrans-62.8-48.5174.6-17878.8000110.6P44 L46 T53 L54 L59 K60 W61 T121P44-L57 HydrophobicContact CB-CD1 3.88Å; L46-L57 HydrophobicContact CD1-CD2 3.44Å; L46-L57 VanDerWaalsContact CD1-CD2 3.44Å; L46-L57 HydrophobicContact CD2-CD2 4.2Å; L46-L57 HydrophobicContact CG-CD1 4.33Å; L46-L57 HydrophobicContact CG-CD2 3.51Å; L46-L57 HydrophobicContact CG-CG 4.48Å; T53-L57 PolarHBondContact O-N 3.29Å; L54-L57 PolarHBondContact O-N 3.07Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 2.83Å; L57-K60 PolarHBondContact O-N 3.16Å; L57-W61 WeakPolarHBondContact O-CB 3.44Å; L57-W61 PolarHBondContact O-N 2.98Å; L57-T121 HydrophobicContact CD2-CG2 4.26Å
58E85.4Confident82.2Confident39 Ų3975.4 Ų75.418%0.18241%0.41CS..Hα-helixtrans-57-45.5179.4-172.961.2-146.700111.3L54 T55 K60 W61 Q62 T121L54-E58 WeakPolarHBondContact O-CB 3.22Å; L54-E58 PolarHBondContact O-N 3.19Å; T55-E58 PolarHBondContact O-N 3.34Å; E58-K60 PolarHBondContact O-N 3.07Å; E58-W61 PolarHBondContact O-N 3.2Å; E58-Q62 WeakPolarHBondContact O-CB 3.38Å; E58-Q62 VanDerWaalsContact O-CG 3.32Å; E58-Q62 WeakPolarHBondContact O-CG 3.43Å; E58-Q62 PolarHBondContact O-N 3.01Å; E58-Q62 PolarHBondContact OE1-NE2 3.05Å; E58-Q62 VanDerWaalsContact OE1-NE2 3.11Å; E58-T121 WeakPolarHBondContact OE2-CB 3.4Å; E58-T121 WeakPolarHBondContact OE2-CG2 3.3Å; E58-T121 PolarHBondContact OE2-OG1 3.05Å
59L87.2Confident83.7Confident113 Ų11373 Ų7359%0.59239%0.386SS*.Hα-helixtrans-62.7-43.9177-72.6171.4000112.7T55 L57 W61 Q62 H63T55-L59 WeakPolarHBondContact O-CG 3.28Å; T55-L59 PolarHBondContact O-N 3.24Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 2.83Å; L59-W61 VanDerWaalsContact C-N 3.29Å; L59-W61 PolarHBondContact O-N 3.4Å; L59-Q62 PolarHBondContact O-N 3.25Å; L59-H63 WeakPolarHBondContact O-CB 3.41Å; L59-H63 PolarHBondContact O-N 3.22Å
60K88.9Confident85.1Confident96 Ų9674.9 Ų74.942%0.41737%0.368SS..Hα-helixtrans-63.9-38.8176.5-73.6175.7-176.2175.10111.5P44 Q52 E56 L57 E58 H63 W64P44-K60 HydrophobicContact CB-CB 4.14Å; P44-K60 HydrophobicContact CG-CB 3.8Å; Q52-K60 VanDerWaalsContact NE2-NZ 3.18Å; E56-K60 WeakPolarHBondContact O-CG 3.15Å; E56-K60 PolarHBondContact O-N 3.13Å; E56-K60 VanDerWaalsContact O-N 3.09Å; L57-K60 PolarHBondContact O-N 3.16Å; E58-K60 PolarHBondContact O-N 3.07Å; K60-H63 PolarHBondContact O-N 2.94Å; K60-W64 WeakPolarHBondContact O-CB 3.29Å; K60-W64 PolarHBondContact O-N 2.94Å
61W89.7Confident86.2Confident7 Ų773.2 Ų73.23%0.02736%0.357CS..Hα-helixtrans-69-42.6180-179.190.8000111.5P44 L57 E58 L59 H63 W64 R65 Y117 S118 P120P44-W61 HydrophobicContact CG-CB 4.32Å; L57-W61 WeakPolarHBondContact O-CB 3.44Å; L57-W61 PolarHBondContact O-N 2.98Å; E58-W61 PolarHBondContact O-N 3.2Å; L59-W61 VanDerWaalsContact C-N 3.29Å; L59-W61 PolarHBondContact O-N 3.4Å; W61-H63 VanDerWaalsContact C-N 3.35Å; W61-H63 PolarHBondContact O-N 3.44Å; W61-W64 PolarHBondContact O-N 3.04Å; W61-R65 WeakPolarHBondContact O-CB 3.48Å; W61-R65 PolarHBondContact O-N 3.39Å; W61-Y117 VanDerWaalsContact CZ2-O 3.3Å; W61-Y117 WeakPolarHBondContact CZ2-O 3.46Å; W61-S118 WeakPolarHBondContact CH2-O 3.02Å; W61-P120 HydrophobicContact CD2-CG 3.86Å; W61-P120 HydrophobicContact CG-CG 3.8Å
62Q87.9Confident87Confident84 Ų8468.8 Ų68.839%0.39333%0.328SS..Hα-helixtrans-59.6-45.8173.2-73.71774.500111.4E58 L59 W64 R65 E66E58-Q62 WeakPolarHBondContact O-CB 3.38Å; E58-Q62 VanDerWaalsContact O-CG 3.32Å; E58-Q62 WeakPolarHBondContact O-CG 3.43Å; E58-Q62 PolarHBondContact O-N 3.01Å; E58-Q62 PolarHBondContact OE1-NE2 3.05Å; E58-Q62 VanDerWaalsContact OE1-NE2 3.11Å; L59-Q62 PolarHBondContact O-N 3.25Å; Q62-W64 PolarHBondContact O-N 3.17Å; Q62-R65 WeakPolarHBondContact O-CB 3.5Å; Q62-R65 PolarHBondContact O-N 3.22Å; Q62-E66 WeakPolarHBondContact O-CG 3.39Å; Q62-E66 PolarHBondContact O-N 3.36Å
63H90.6Very high87.5Confident98 Ų9872 Ų7245%0.45434%0.343SS..Hα-helixtrans-60.8-45.6176.8-174.358.5000112.5L59 K60 W61 R65 E66 E67L59-H63 WeakPolarHBondContact O-CB 3.41Å; L59-H63 PolarHBondContact O-N 3.22Å; K60-H63 PolarHBondContact O-N 2.94Å; W61-H63 VanDerWaalsContact C-N 3.35Å; W61-H63 PolarHBondContact O-N 3.44Å; H63-R65 VanDerWaalsContact C-N 3.31Å; H63-R65 PolarHBondContact O-N 3.45Å; H63-E66 WeakPolarHBondContact O-CB 3.37Å; H63-E66 PolarHBondContact O-N 3.24Å; H63-E67 IonicContact NE2-OE1 2.77Å; H63-E67 PolarHBondContact NE2-OE1 3.31Å; H63-E67 WeakPolarHBondContact O-CG 3.48Å; H63-E67 PolarHBondContact O-N 3.41Å
64W92.1Very high87.8Confident5 Ų574.2 Ų74.22%0.01935%0.352CS..Hα-helixtrans-60.3-40175.5169.985000112.4L39 M43 P44 K60 W61 Q62 E67 C68 M90 Y117L39-W64 PolarHBondContact O-NE1 3.34Å; M43-W64 HydrophobicContact CB-CZ2 4.2Å; M43-W64 HydrophobicContact CG-CH2 4.42Å; M43-W64 HydrophobicContact CG-CZ2 4.06Å; P44-W64 HydrophobicContact CG-CB 4.31Å; K60-W64 WeakPolarHBondContact O-CB 3.29Å; K60-W64 PolarHBondContact O-N 2.94Å; W61-W64 PolarHBondContact O-N 3.04Å; Q62-W64 PolarHBondContact O-N 3.17Å; W64-E67 PolarHBondContact O-N 3.47Å; W64-C68 PolarHBondContact O-N 3.3Å; W64-C68 PolarHBondContact O-SG 3Å; W64-M90 HydrophobicContact CH2-CB 4.22Å; W64-M90 HydrophobicContact CH2-CE 4.26Å; W64-M90 WeakPolarHBondContact CH2-O 3.34Å; W64-M90 HydrophobicContact CZ2-CE 3.53Å; W64-Y117 HydrophobicContact CH2-CD1 4.16Å; W64-Y117 HydrophobicContact CH2-CE1 4.44Å
65R89.9Confident87.9Confident108 Ų10874.1 Ų74.141%0.40835%0.353SS..Hα-helixtrans-64.6-43.4176.6-171.9-174.8-178.9-163.5-0.4111.5W61 Q62 H63 E67 C68 E69 L91W61-R65 WeakPolarHBondContact O-CB 3.48Å; W61-R65 PolarHBondContact O-N 3.39Å; Q62-R65 WeakPolarHBondContact O-CB 3.5Å; Q62-R65 PolarHBondContact O-N 3.22Å; H63-R65 VanDerWaalsContact C-N 3.31Å; H63-R65 PolarHBondContact O-N 3.45Å; R65-E67 VanDerWaalsContact C-N 3.3Å; R65-E67 PolarHBondContact O-N 3.09Å; R65-C68 WeakPolarHBondContact O-CB 3.39Å; R65-C68 PolarHBondContact O-N 3.34Å; R65-E69 PolarHBondContact O-N 2.65Å; R65-L91 HydrophobicContact CG-CD2 3.84Å; R65-L91 WeakPolarHBondContact O-CD2 3.3Å
66E90.2Very high87.7Confident100 Ų10071.8 Ų71.847%0.46734%0.338SS..Hα-helixtrans-60.6-38.1174.5-71.7173.6-17800112.1Q62 H63 E69 R70Q62-E66 WeakPolarHBondContact O-CG 3.39Å; Q62-E66 PolarHBondContact O-N 3.36Å; H63-E66 WeakPolarHBondContact O-CB 3.37Å; H63-E66 PolarHBondContact O-N 3.24Å; E66-E69 PolarHBondContact O-N 3.01Å; E66-R70 WeakPolarHBondContact O-CB 3.45Å; E66-R70 PolarHBondContact O-N 2.92Å
67E89.3Confident87.6Confident57 Ų5768 Ų6827%0.26632%0.321SS..Hα-helixtrans-64.4-44.7174.2-71-174.9152.900111.9L39 H63 W64 R65 E69 R70 H71L39-E67 HydrophobicContact CD2-CB 4.29Å; H63-E67 IonicContact NE2-OE1 2.77Å; H63-E67 PolarHBondContact NE2-OE1 3.31Å; H63-E67 WeakPolarHBondContact O-CG 3.48Å; H63-E67 PolarHBondContact O-N 3.41Å; W64-E67 PolarHBondContact O-N 3.47Å; R65-E67 VanDerWaalsContact C-N 3.3Å; R65-E67 PolarHBondContact O-N 3.09Å; E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 PolarHBondContact O-N 3.19Å; E67-R70 PolarHBondContact O-N 3.45Å; E67-H71 PolarHBondContact O-CD2 2.96Å; E67-H71 PolarHBondContact O-N 3.42Å; E67-H71 VanDerWaalsContact O-N 3.12Å
68C88.3Confident87.2Confident0 Ų070.6 Ų70.60%034%0.343CS..Hα-helixtrans-60-42.5175-66.70000111.4W64 R65 H71 L72 L91W64-C68 PolarHBondContact O-N 3.3Å; W64-C68 PolarHBondContact O-SG 3Å; R65-C68 WeakPolarHBondContact O-CB 3.39Å; R65-C68 PolarHBondContact O-N 3.34Å; C68-H71 PolarHBondContact O-N 3.29Å; C68-L72 PolarHBondContact O-N 3.23Å; C68-L91 HydrophobicContact CB-CD2 3.49Å; C68-L91 VanDerWaalsContact CB-CD2 3.49Å; C68-L91 HydrophobicContact CB-CG 3.97Å
69E89.6Confident86.8Confident96 Ų9672.7 Ų72.745%0.44937%0.367SS..Hα-helixtrans-66.4-41.8179.8-173.1176.4-149.400111.4R65 E66 E67 H71 L72 Q73 L91R65-E69 PolarHBondContact O-N 2.65Å; E66-E69 PolarHBondContact O-N 3.01Å; E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 PolarHBondContact O-N 3.19Å; E69-H71 VanDerWaalsContact C-N 3.33Å; E69-H71 PolarHBondContact O-N 3Å; E69-L72 WeakPolarHBondContact O-CB 3.2Å; E69-L72 PolarHBondContact O-N 3.03Å; E69-L72 VanDerWaalsContact O-N 3.1Å; E69-Q73 HydrophobicContact CG-CG 4.48Å; E69-Q73 WeakPolarHBondContact O-CG 3.49Å; E69-Q73 PolarHBondContact O-N 2.93Å; E69-L91 HydrophobicContact CB-CD2 4.14Å
70R90.4Very high86.6Confident120 Ų12069.1 Ų69.145%0.45335%0.348SS..Hα-helixtrans-58.6-44.7176-169.1-177.9-59.2126.87.1111.6E66 E67 L72 Q73 D74E66-R70 WeakPolarHBondContact O-CB 3.45Å; E66-R70 PolarHBondContact O-N 2.92Å; E67-R70 PolarHBondContact O-N 3.45Å; R70-L72 PolarHBondContact O-N 3.37Å; R70-Q73 PolarHBondContact O-N 3.15Å; R70-D74 WeakPolarHBondContact O-CB 3.46Å; R70-D74 VanDerWaalsContact O-CG 3.29Å; R70-D74 PolarHBondContact O-N 2.9Å
71H86.8Confident86.4Confident56 Ų5668.8 Ų68.826%0.25936%0.356SS..Hα-helixtrans-62.7-31.1177.4-79.2-60.3000113.5E67 C68 E69 T76 F77E67-H71 PolarHBondContact O-CD2 2.96Å; E67-H71 PolarHBondContact O-N 3.42Å; E67-H71 VanDerWaalsContact O-N 3.12Å; C68-H71 PolarHBondContact O-N 3.29Å; E69-H71 VanDerWaalsContact C-N 3.33Å; E69-H71 PolarHBondContact O-N 3Å; H71-T76 VanDerWaalsContact O-CB 3.28Å; H71-T76 WeakPolarHBondContact O-CB 3.45Å; H71-T76 PolarHBondContact O-N 3.37Å; H71-T76 PolarHBondContact O-OG1 3.16Å; H71-F77 HydrophobicContact CB-CE2 3.93Å; H71-F77 HydrophobicContact CB-CZ 4.49Å
72L85.8Confident86.2Confident48 Ų4874.3 Ų74.325%0.25138%0.377SS..Hα-helixtrans-74.2-42.6174.9-163.4124.1000111.5C68 E69 R70 D74 N75 E84 C87 K88 L91C68-L72 PolarHBondContact O-N 3.23Å; E69-L72 WeakPolarHBondContact O-CB 3.2Å; E69-L72 PolarHBondContact O-N 3.03Å; E69-L72 VanDerWaalsContact O-N 3.1Å; R70-L72 PolarHBondContact O-N 3.37Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-D74 PolarHBondContact O-N 3.43Å; L72-N75 PolarHBondContact O-N 3.21Å; L72-N75 VanDerWaalsContact O-N 3.14Å; L72-E84 HydrophobicContact CD1-CG 4.28Å; L72-C87 HydrophobicContact CD1-CB 4.35Å; L72-K88 HydrophobicContact CD1-CG 3.61Å; L72-L91 HydrophobicContact CB-CD1 4.48Å; L72-L91 HydrophobicContact CD1-CD1 4.25Å
73Q88.3Confident86Confident123 Ų12370.4 Ų70.458%0.57536%0.359SS*.Hα-helixtrans-63.8-37.6176-69.6177.16.800112.7E69 R70 N75E69-Q73 HydrophobicContact CG-CG 4.48Å; E69-Q73 WeakPolarHBondContact O-CG 3.49Å; E69-Q73 PolarHBondContact O-N 2.93Å; R70-Q73 PolarHBondContact O-N 3.15Å; Q73-N75 PolarHBondContact O-N 2.8Å; Q73-N75 VanDerWaalsContact O-N 3.11Å; Q73-N75 PolarHBondContact O-ND2 3.32Å
74D88Confident85.8Confident108 Ų10868.2 Ų68.258%0.57835%0.349SS*.THydrogen-bonded Turntrans-71.90.8176.9-70.7-19.6000113R70 L72 T76R70-D74 WeakPolarHBondContact O-CB 3.46Å; R70-D74 VanDerWaalsContact O-CG 3.29Å; R70-D74 PolarHBondContact O-N 2.9Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-D74 PolarHBondContact O-N 3.43Å; D74-T76 PolarHBondContact O-N 3.38Å
75N82.8Confident85.6Confident114 Ų11469.7 Ų69.761%0.6136%0.36SS*.THydrogen-bonded Turntrans54.730.3-176.8-68.1-71.7000113.2L72 Q73 F77 A78L72-N75 PolarHBondContact O-N 3.21Å; L72-N75 VanDerWaalsContact O-N 3.14Å; Q73-N75 PolarHBondContact O-N 2.8Å; Q73-N75 VanDerWaalsContact O-N 3.11Å; Q73-N75 PolarHBondContact O-ND2 3.32Å; N75-F77 PolarHBondContact O-N 3.41Å; N75-A78 HydrophobicContact CB-CB 4.1Å; N75-A78 WeakPolarHBondContact O-CB 3.48Å; N75-A78 PolarHBondContact O-N 3.47Å; N75-A78 VanDerWaalsContact O-N 3.12Å
76T79.9Confident85.5Confident47 Ų4764.7 Ų64.729%0.28834%0.341SS..THydrogen-bonded Turntrans-56.7-29.8-177.6-44.40000111.9M32 H71 D74M32-T76 WeakPolarHBondContact CG-O 3.34Å; H71-T76 VanDerWaalsContact O-CB 3.28Å; H71-T76 WeakPolarHBondContact O-CB 3.45Å; H71-T76 PolarHBondContact O-N 3.37Å; H71-T76 PolarHBondContact O-OG1 3.16Å; D74-T76 PolarHBondContact O-N 3.38Å
77F81.7Confident85.3Confident3 Ų360 Ų601%0.01332%0.319CS..THydrogen-bonded Turntrans-103.64.7-176.1-54.9-66.3000114.8M32 V35 L36 H71 N75 A79 N80 L83 E84 C87M32-F77 HydrophobicContact CB-CD1 4.01Å; M32-F77 HydrophobicContact CB-CE1 4.22Å; M32-F77 HydrophobicContact CG-CD1 4.25Å; V35-F77 HydrophobicContact CG1-CZ 4.18Å; L36-F77 HydrophobicContact CB-CE1 4.2Å; L36-F77 HydrophobicContact CB-CZ 4.38Å; L36-F77 HydrophobicContact CD1-CZ 4.36Å; H71-F77 HydrophobicContact CB-CE2 3.93Å; H71-F77 HydrophobicContact CB-CZ 4.49Å; N75-F77 PolarHBondContact O-N 3.41Å; F77-A79 PolarHBondContact O-N 2.63Å; F77-N80 CarbonylContact O-C 3.59Å; F77-N80 PolarHBondContact O-N 2.93Å; F77-L83 HydrophobicContact CD1-CB 3.99Å; F77-E84 HydrophobicContact CB-CB 3.91Å; F77-E84 HydrophobicContact CB-CG 4.38Å; F77-C87 HydrophobicContact CD2-CB 4.11Å; F77-C87 HydrophobicContact CE2-CB 3.97Å
78A77.5Confident85.3Confident61 Ų6160.2 Ų60.250%0.50432%0.319SS..THydrogen-bonded Turntrans-58.9-23.2-173.400000114.1N75 N80N75-A78 HydrophobicContact CB-CB 4.1Å; N75-A78 WeakPolarHBondContact O-CB 3.48Å; N75-A78 PolarHBondContact O-N 3.47Å; N75-A78 VanDerWaalsContact O-N 3.12Å; A78-N80 VanDerWaalsContact C-N 3.31Å
79A78.8Confident85.3Confident83 Ų8360.3 Ų60.369%0.68632%0.32SS*.THydrogen-bonded Turntrans-75.9-14.7176.300000113.9M32 F77M32-A79 HydrophobicContact CE-CB 3.86Å; M32-A79 HydrophobicContact SD-CB 4.07Å; F77-A79 PolarHBondContact O-N 2.63Å
80N82.8Confident85.1Confident37 Ų3755.7 Ų55.720%0.19830%0.298CS..  trans-142.197.6179.2-169.5-19.2000111.7M32 F77 A78 R82 L83 E84M32-N80 HydrophobicContact CE-CB 4.16Å; M32-N80 HydrophobicContact SD-CB 4.42Å; F77-N80 CarbonylContact O-C 3.59Å; F77-N80 PolarHBondContact O-N 2.93Å; A78-N80 VanDerWaalsContact C-N 3.31Å; N80-R82 PolarHBondContact O-N 3.21Å; N80-R82 WeakPolarHBondContact OD1-CB 3.49Å; N80-R82 PolarHBondContact OD1-N 3.36Å; N80-R82 VanDerWaalsContact OD1-N 3.14Å; N80-L83 HydrophobicContact CB-CB 4.38Å; N80-L83 HydrophobicContact CB-CD1 4.09Å; N80-L83 HydrophobicContact CB-CG 4.2Å; N80-L83 PolarHBondContact O-N 2.97Å; N80-E84 PolarHBondContact O-N 3.12Å
81P84.6Confident85Confident90 Ų9051.1 Ų51.158%0.58428%0.283SS*.Hα-helixtrans-55.3-29.7-179.6-27.134.5000113.9E84 S85P81-E84 PolarHBondContact O-N 2.98Å; P81-S85 PolarHBondContact O-N 3.49Å; P81-S85 PolarHBondContact O-OG 3.08Å; P81-S85 VanDerWaalsContact O-OG 3.09Å
82R84.4Confident85Confident123 Ų12348.9 Ų48.946%0.46428%0.275SS..Hα-helixtrans-66.2-42178.3-169.2-160.7-78.1176-4.1111.7E22 N80 E84 S85 L86E22-R82 IonicContact OE1-NH1 3.65Å; N80-R82 PolarHBondContact O-N 3.21Å; N80-R82 WeakPolarHBondContact OD1-CB 3.49Å; N80-R82 PolarHBondContact OD1-N 3.36Å; N80-R82 VanDerWaalsContact OD1-N 3.14Å; R82-E84 VanDerWaalsContact C-N 3.34Å; R82-S85 PolarHBondContact O-N 2.64Å; R82-L86 WeakPolarHBondContact O-CG 2.98Å; R82-L86 PolarHBondContact O-N 3.34Å
83L83.9Confident85.1Confident1 Ų150 Ų501%0.00528%0.281CS..Hα-helixtrans-71.2-34.7178.3-64.9178.2000110.9L19 M32 L36 F77 N80 L86 C87L19-L83 HydrophobicContact CD2-CD2 3.92Å; M32-L83 HydrophobicContact CB-CD1 3.59Å; L36-L83 HydrophobicContact CD2-CD2 3.8Å; F77-L83 HydrophobicContact CD1-CB 3.99Å; N80-L83 HydrophobicContact CB-CB 4.38Å; N80-L83 HydrophobicContact CB-CD1 4.09Å; N80-L83 HydrophobicContact CB-CG 4.2Å; N80-L83 PolarHBondContact O-N 2.97Å; L83-L86 HydrophobicContact CD2-CD1 4.23Å; L83-L86 PolarHBondContact O-N 3.23Å; L83-C87 PolarHBondContact O-N 3.25Å
84E87.3Confident84.9Confident52 Ų5247.5 Ų47.524%0.24327%0.269CS..Hα-helixtrans-62.8-46.8172.5-165-169.4144.500111.4L72 F77 N80 P81 R82 L86 C87 K88L72-E84 HydrophobicContact CD1-CG 4.28Å; F77-E84 HydrophobicContact CB-CB 3.91Å; F77-E84 HydrophobicContact CB-CG 4.38Å; N80-E84 PolarHBondContact O-N 3.12Å; P81-E84 PolarHBondContact O-N 2.98Å; R82-E84 VanDerWaalsContact C-N 3.34Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 2.97Å; E84-C87 WeakPolarHBondContact O-CB 3.26Å; E84-C87 PolarHBondContact O-N 2.74Å; E84-C87 VanDerWaalsContact O-N 3.14Å; E84-K88 WeakPolarHBondContact O-CG 3.24Å; E84-K88 PolarHBondContact O-N 3.3Å; E84-K88 WeakPolarHBondContact OE1-CE 3.37Å; E84-K88 IonicContact OE1-NZ 2.74Å; E84-K88 PolarHBondContact OE1-NZ 3.34Å
85S87.2Confident84.8Confident37 Ų3745.1 Ų45.126%0.25927%0.265SS..Hα-helixtrans-59-40.5173.8-63.30000112.2P81 R82 C87 K88 I89P81-S85 PolarHBondContact O-N 3.49Å; P81-S85 PolarHBondContact O-OG 3.08Å; P81-S85 VanDerWaalsContact O-OG 3.09Å; R82-S85 PolarHBondContact O-N 2.64Å; S85-C87 VanDerWaalsContact C-N 3.34Å; S85-C87 PolarHBondContact O-N 3.23Å; S85-K88 PolarHBondContact O-N 3.05Å; S85-I89 VanDerWaalsContact O-CG1 3.29Å; S85-I89 WeakPolarHBondContact O-CG1 3.16Å; S85-I89 PolarHBondContact O-N 3.29Å
86L87.4Confident85Confident2 Ų240 Ų401%0.0124%0.238CC..Hα-helixtrans-63-39.6174.9-73.1172.9000112.3V3 T4 V7 L36 R82 L83 E84 I89 M90V3-L86 HydrophobicContact CG1-CD1 3.95Å; T4-L86 HydrophobicContact CG2-CD2 4.05Å; V7-L86 HydrophobicContact CB-CD2 4.41Å; V7-L86 HydrophobicContact CG2-CD2 4.22Å; L36-L86 HydrophobicContact CD2-CB 3.98Å; L36-L86 HydrophobicContact CD2-CD1 4.05Å; R82-L86 WeakPolarHBondContact O-CG 2.98Å; R82-L86 PolarHBondContact O-N 3.34Å; L83-L86 HydrophobicContact CD2-CD1 4.23Å; L83-L86 PolarHBondContact O-N 3.23Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 2.97Å; L86-I89 PolarHBondContact O-N 2.93Å; L86-M90 WeakPolarHBondContact O-CG 3.34Å; L86-M90 PolarHBondContact O-N 3.3Å
87C86.8Confident85.3Confident1 Ų137.7 Ų37.71%0.00722%0.224CC..Hα-helixtrans-66.3-41.3175.5-170.80000111.6L36 L72 F77 L83 E84 S85 I89 M90 L91L36-C87 HydrophobicContact CD1-CB 4.31Å; L72-C87 HydrophobicContact CD1-CB 4.35Å; F77-C87 HydrophobicContact CD2-CB 4.11Å; F77-C87 HydrophobicContact CE2-CB 3.97Å; L83-C87 PolarHBondContact O-N 3.25Å; E84-C87 WeakPolarHBondContact O-CB 3.26Å; E84-C87 PolarHBondContact O-N 2.74Å; E84-C87 VanDerWaalsContact O-N 3.14Å; S85-C87 VanDerWaalsContact C-N 3.34Å; S85-C87 PolarHBondContact O-N 3.23Å; C87-I89 VanDerWaalsContact C-N 3.34Å; C87-I89 PolarHBondContact O-N 3.28Å; C87-M90 PolarHBondContact O-N 2.88Å; C87-L91 WeakPolarHBondContact O-CG 3.37Å; C87-L91 PolarHBondContact O-N 3.42Å
88K88.8Confident85.5Confident62 Ų6240.4 Ų40.427%0.2724%0.238SC..Hα-helixtrans-60.2-41.4173-69.5178.4-175.9165.50112.4L72 E84 S85 L91 G92 D93 A96L72-K88 HydrophobicContact CD1-CG 3.61Å; E84-K88 WeakPolarHBondContact O-CG 3.24Å; E84-K88 PolarHBondContact O-N 3.3Å; E84-K88 WeakPolarHBondContact OE1-CE 3.37Å; E84-K88 IonicContact OE1-NZ 2.74Å; E84-K88 PolarHBondContact OE1-NZ 3.34Å; S85-K88 PolarHBondContact O-N 3.05Å; K88-L91 PolarHBondContact O-N 2.96Å; K88-G92 PolarHBondContact O-N 2.71Å; K88-D93 HydrophobicContact CB-CB 4.21Å; K88-D93 WeakPolarHBondContact O-CB 3.3Å; K88-D93 PolarHBondContact O-N 3.11Å; K88-D93 VanDerWaalsContact O-N 3.09Å; K88-A96 HydrophobicContact CB-CB 3.84Å
89I89.3Confident85.9Confident2 Ų244.2 Ų44.21%0.0125%0.245CC..Hα-helixtrans-60.8-45.7174-72.4166.1000110.9T4 V7 L8 S85 L86 C87 L91 G92 A96 L97 Q100 Y117T4-I89 HydrophobicContact CG2-CD1 3.84Å; V7-I89 HydrophobicContact CG1-CG2 3.98Å; L8-I89 HydrophobicContact CD2-CG2 3.88Å; S85-I89 VanDerWaalsContact O-CG1 3.29Å; S85-I89 WeakPolarHBondContact O-CG1 3.16Å; S85-I89 PolarHBondContact O-N 3.29Å; L86-I89 PolarHBondContact O-N 2.93Å; C87-I89 VanDerWaalsContact C-N 3.34Å; C87-I89 PolarHBondContact O-N 3.28Å; I89-L91 PolarHBondContact O-N 3.43Å; I89-G92 PolarHBondContact O-N 3.01Å; I89-A96 HydrophobicContact CG1-CB 4.26Å; I89-L97 HydrophobicContact CB-CD2 4.44Å; I89-L97 HydrophobicContact CG1-CD2 4.34Å; I89-L97 HydrophobicContact CG2-CD2 3.81Å; I89-Q100 HydrophobicContact CD1-CG 3.94Å; I89-Y117 HydrophobicContact CG2-CE2 4.39Å
90M85.6Confident86.1Confident0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-65.8-25.7178.3-71.6174.463.900113.2V7 L36 L39 M40 W64 L86 C87 G92 Y117V7-M90 HydrophobicContact CG1-CG 3.99Å; L36-M90 HydrophobicContact CD1-SD 3.81Å; L39-M90 HydrophobicContact CB-CE 4.24Å; M40-M90 HydrophobicContact CB-CE 4.48Å; M40-M90 HydrophobicContact CE-SD 3.67Å; M40-M90 HydrophobicContact CG-CE 3.66Å; M40-M90 HydrophobicContact CG-SD 3.84Å; W64-M90 HydrophobicContact CH2-CB 4.22Å; W64-M90 HydrophobicContact CH2-CE 4.26Å; W64-M90 WeakPolarHBondContact CH2-O 3.34Å; W64-M90 HydrophobicContact CZ2-CE 3.53Å; L86-M90 WeakPolarHBondContact O-CG 3.34Å; L86-M90 PolarHBondContact O-N 3.3Å; C87-M90 PolarHBondContact O-N 2.88Å; M90-G92 VanDerWaalsContact C-N 3.25Å; M90-Y117 HydrophobicContact CB-CD1 4.43Å; M90-Y117 HydrophobicContact CB-CE1 4.37Å; M90-Y117 HydrophobicContact CG-CE1 4.16Å; M90-Y117 VanDerWaalsContact O-CD1 3.3Å; M90-Y117 WeakPolarHBondContact O-CD1 3.48Å
91L88Confident86Confident23 Ų2344.7 Ų44.712%0.1223%0.231CC..THydrogen-bonded Turntrans-79.2-6.2173.5-75.5170.5000113.9R65 C68 E69 L72 C87 K88 I89R65-L91 HydrophobicContact CG-CD2 3.84Å; R65-L91 WeakPolarHBondContact O-CD2 3.3Å; C68-L91 HydrophobicContact CB-CD2 3.49Å; C68-L91 VanDerWaalsContact CB-CD2 3.49Å; C68-L91 HydrophobicContact CB-CG 3.97Å; E69-L91 HydrophobicContact CB-CD2 4.14Å; L72-L91 HydrophobicContact CB-CD1 4.48Å; L72-L91 HydrophobicContact CD1-CD1 4.25Å; C87-L91 WeakPolarHBondContact O-CG 3.37Å; C87-L91 PolarHBondContact O-N 3.42Å; K88-L91 PolarHBondContact O-N 2.96Å; I89-L91 PolarHBondContact O-N 3.43Å
92G86Confident85.9Confident9 Ų949.7 Ų49.79%0.09325%0.247CC..THydrogen-bonded Turntrans78.124.8-178.400000113.9K88 I89 M90 E94K88-G92 PolarHBondContact O-N 2.71Å; I89-G92 PolarHBondContact O-N 3.01Å; M90-G92 VanDerWaalsContact C-N 3.25Å; G92-E94 PolarHBondContact O-N 2.95Å; G92-E94 VanDerWaalsContact O-N 3.12Å
93D88.1Confident85.7Confident71 Ų7146.4 Ų46.438%0.3824%0.238SC..  trans-64.3112.6176.1-175.7-0.7000110.6K88 A95 A96 L97K88-D93 HydrophobicContact CB-CB 4.21Å; K88-D93 WeakPolarHBondContact O-CB 3.3Å; K88-D93 PolarHBondContact O-N 3.11Å; K88-D93 VanDerWaalsContact O-N 3.09Å; D93-A95 VanDerWaalsContact C-N 3.27Å; D93-A95 PolarHBondContact O-N 3.4Å; D93-A95 PolarHBondContact OD1-N 3.31Å; D93-A96 HydrophobicContact CB-CB 3.99Å; D93-A96 PolarHBondContact O-N 3.13Å; D93-L97 WeakPolarHBondContact O-CG 3.38Å; D93-L97 PolarHBondContact O-N 3.25Å
94E84.9Confident85.4Confident72 Ų7246.5 Ų46.534%0.33624%0.238SC..Hα-helixtrans-61.6-36.2-175.6-61.9-173.7164.300111.8G92 L97 L98 R114 M137G92-E94 PolarHBondContact O-N 2.95Å; G92-E94 VanDerWaalsContact O-N 3.12Å; E94-L97 PolarHBondContact O-N 3Å; E94-L98 WeakPolarHBondContact O-CB 3.43Å; E94-L98 VanDerWaalsContact O-CG 3.24Å; E94-L98 WeakPolarHBondContact O-CG 3.48Å; E94-L98 PolarHBondContact O-N 2.83Å; E94-R114 IonicContact OE1-CZ 2.99Å; E94-R114 IonicContact OE1-NE 3.74Å; E94-R114 PolarHBondContact OE1-NE 3.26Å; E94-R114 IonicContact OE1-NH2 2.77Å; E94-R114 PolarHBondContact OE1-NH2 3.48Å; E94-M137 WeakPolarHBondContact OE2-CE 3.2Å
95A86Confident85Confident58 Ų5848 Ų4848%0.47926%0.255SS..Hα-helixtrans-66.9-45.6178.300000111.1D93 L97 L98 E99D93-A95 VanDerWaalsContact C-N 3.27Å; D93-A95 PolarHBondContact O-N 3.4Å; D93-A95 PolarHBondContact OD1-N 3.31Å; A95-L97 VanDerWaalsContact C-N 3.3Å; A95-L97 PolarHBondContact O-N 3.01Å; A95-L98 PolarHBondContact O-N 3.49Å; A95-E99 WeakPolarHBondContact O-CG 3.43Å; A95-E99 PolarHBondContact O-N 3.26Å
96A86.1Confident84.9Confident5 Ų549 Ų494%0.04126%0.257CS..Hα-helixtrans-64.9-33.8178.100000112.5K88 I89 D93K88-A96 HydrophobicContact CB-CB 3.84Å; I89-A96 HydrophobicContact CG1-CB 4.26Å; D93-A96 HydrophobicContact CB-CB 3.99Å; D93-A96 PolarHBondContact O-N 3.13Å
97L86.6Confident85Confident0 Ų049.2 Ų49.20%026%0.258CS..Hα-helixtrans-68.7-41.5173.3-70.8169.3000111.8L8 I89 D93 E94 A95 Q100 F110 T113L8-L97 HydrophobicContact CD2-CD2 3.65Å; I89-L97 HydrophobicContact CB-CD2 4.44Å; I89-L97 HydrophobicContact CG1-CD2 4.34Å; I89-L97 HydrophobicContact CG2-CD2 3.81Å; D93-L97 WeakPolarHBondContact O-CG 3.38Å; D93-L97 PolarHBondContact O-N 3.25Å; E94-L97 PolarHBondContact O-N 3Å; A95-L97 VanDerWaalsContact C-N 3.3Å; A95-L97 PolarHBondContact O-N 3.01Å; L97-Q100 CarbonylContact O-C 3.58Å; L97-Q100 PolarHBondContact O-N 3Å; L97-Q100 VanDerWaalsContact O-N 3.13Å; L97-F110 HydrophobicContact CB-CD2 4.16Å; L97-F110 HydrophobicContact CB-CE2 3.65Å; L97-F110 HydrophobicContact CD1-CE2 4.26Å; L97-T113 HydrophobicContact CD2-CG2 3.65Å
98L85.2Confident85.1Confident60 Ų6053.4 Ų53.431%0.31427%0.274SS..Hα-helixtrans-69.1-30.6177.9-72170.4000112.8E94 A95 Q100 K101 F110 M137E94-L98 WeakPolarHBondContact O-CB 3.43Å; E94-L98 VanDerWaalsContact O-CG 3.24Å; E94-L98 WeakPolarHBondContact O-CG 3.48Å; E94-L98 PolarHBondContact O-N 2.83Å; A95-L98 PolarHBondContact O-N 3.49Å; L98-Q100 PolarHBondContact O-N 3.09Å; L98-K101 WeakPolarHBondContact O-CB 3.39Å; L98-K101 PolarHBondContact O-N 2.92Å; L98-K101 VanDerWaalsContact O-N 3.07Å; L98-F110 HydrophobicContact CD2-CE2 4.13Å; L98-F110 HydrophobicContact CD2-CZ 4.04Å; L98-F110 HydrophobicContact CG-CE2 4.28Å; L98-F110 HydrophobicContact CG-CZ 4.28Å; L98-M137 HydrophobicContact CD2-CB 4.34Å
99E85.8Confident85.1Confident140 Ų14052 Ų5265%0.65427%0.268SS*.Hα-helixtrans-59.6-27.9170.3-75.4179.9-179.500112.3A95 K101A95-E99 WeakPolarHBondContact O-CG 3.43Å; A95-E99 PolarHBondContact O-N 3.26Å; E99-K101 VanDerWaalsContact C-N 3.34Å
100Q82.8Confident85.1Confident44 Ų4451.9 Ų51.921%0.20627%0.268CS..THydrogen-bonded Turntrans-95.619.8177.7-55.7-58.1-53.200112.9T4 L8 I89 L97 L98 E102 L103 L104T4-Q100 HydrophobicContact CG2-CG 4.11Å; L8-Q100 HydrophobicContact CD1-CB 4.13Å; I89-Q100 HydrophobicContact CD1-CG 3.94Å; L97-Q100 CarbonylContact O-C 3.58Å; L97-Q100 PolarHBondContact O-N 3Å; L97-Q100 VanDerWaalsContact O-N 3.13Å; L98-Q100 PolarHBondContact O-N 3.09Å; Q100-E102 PolarHBondContact O-N 3.17Å; Q100-E102 VanDerWaalsContact O-N 3.16Å; Q100-L103 HydrophobicContact CB-CD1 4.42Å; Q100-L103 WeakPolarHBondContact O-CB 3.48Å; Q100-L103 PolarHBondContact O-N 2.88Å; Q100-L104 PolarHBondContact O-N 3.25Å
101K81.9Confident85.4Confident86 Ų8652 Ų5237%0.37427%0.268SS..THydrogen-bonded Turntrans-52.6-36.6-179.5-177.5-179.9-177.9-178.50113.3L98 E99 L103 L104 F138L98-K101 WeakPolarHBondContact O-CB 3.39Å; L98-K101 PolarHBondContact O-N 2.92Å; L98-K101 VanDerWaalsContact O-N 3.07Å; E99-K101 VanDerWaalsContact C-N 3.34Å; K101-L103 VanDerWaalsContact C-N 3.26Å; K101-L103 PolarHBondContact O-N 2.86Å; K101-L104 CarbonylContact O-C 3.59Å; K101-L104 PolarHBondContact O-N 2.73Å; K101-F138 HydrophobicContact CD-CE2 4.49Å; K101-F138 WeakPolarHBondContact CE-O 3.34Å; K101-F138 HydrophobicContact CG-CD2 4.12Å; K101-F138 HydrophobicContact CG-CE2 3.62Å; K101-F138 HydrophobicContact CG-CZ 3.99Å; K101-F138 PolarHBondContact NZ-O 3.31Å
102E81.9Confident85.5Confident196 Ų19655.2 Ų55.292%0.91629%0.289SS*.THydrogen-bonded Turntrans-64.9-28.5178.2-62.3-172.5170.100113.3Q100Q100-E102 PolarHBondContact O-N 3.17Å; Q100-E102 VanDerWaalsContact O-N 3.16Å
103L81.1Confident85.6Confident54 Ų5454.8 Ų54.828%0.28329%0.285SS..THydrogen-bonded Turntrans-82.9-26.6176.7-60-178.3000111.9T4 V5 L8 Q100 K101 S105T4-L103 HydrophobicContact CG2-CD1 4.06Å; V5-L103 HydrophobicContact CG2-CB 4.24Å; V5-L103 HydrophobicContact CG2-CD1 4.13Å; V5-L103 HydrophobicContact CG2-CD2 4.09Å; V5-L103 HydrophobicContact CG2-CG 4.4Å; L8-L103 HydrophobicContact CD1-CB 4.1Å; L8-L103 HydrophobicContact CD1-CD1 4.48Å; Q100-L103 HydrophobicContact CB-CD1 4.42Å; Q100-L103 WeakPolarHBondContact O-CB 3.48Å; Q100-L103 PolarHBondContact O-N 2.88Å; K101-L103 VanDerWaalsContact C-N 3.26Å; K101-L103 PolarHBondContact O-N 2.86Å; L103-S105 PolarHBondContact O-N 2.93Å
104L76.8Confident85.7Confident2 Ų252.4 Ų52.41%0.0127%0.27CS..SBendtrans-82.991.6175.6-69.3165.7000108.2L8 Q100 K101 N106 H109 F110 F138L8-L104 HydrophobicContact CB-CD2 4.15Å; L8-L104 HydrophobicContact CD1-CD2 4.09Å; L8-L104 HydrophobicContact CD1-CG 4.11Å; L8-L104 HydrophobicContact CD2-CD2 4.25Å; L8-L104 HydrophobicContact CG-CD2 4.39Å; Q100-L104 PolarHBondContact O-N 3.25Å; K101-L104 CarbonylContact O-C 3.59Å; K101-L104 PolarHBondContact O-N 2.73Å; L104-N106 PolarHBondContact O-N 3.22Å; L104-H109 HydrophobicContact CD2-CB 4.34Å; L104-F110 HydrophobicContact CD1-CB 4.1Å; L104-F110 HydrophobicContact CD1-CD2 3.84Å; L104-F110 HydrophobicContact CD1-CG 4.45Å; L104-F138 HydrophobicContact CB-CE2 4.05Å; L104-F138 VanDerWaalsContact O-CZ 3.26Å; L104-F138 WeakPolarHBondContact O-CZ 3.34Å
105S78.7Confident86Confident84 Ų8450.3 Ų50.359%0.58726%0.261SS*.  trans-48.9-37.8-176.153.20000114.4L103L103-S105 PolarHBondContact O-N 2.93Å
106N86Confident86.1Confident57 Ų5750 Ų5031%0.30525%0.251SS..SBendtrans-142.6158.6-174.9-62-47.4000112.1L104 Y108 H109 F110L104-N106 PolarHBondContact O-N 3.22Å; N106-Y108 VanDerWaalsContact C-N 3.28Å; N106-Y108 HydrophobicContact CB-CD1 3.78Å; N106-Y108 HydrophobicContact CB-CD2 4.2Å; N106-Y108 HydrophobicContact CB-CE1 3.37Å; N106-Y108 HydrophobicContact CB-CE2 3.82Å; N106-Y108 HydrophobicContact CB-CG 4.2Å; N106-Y108 VanDerWaalsContact CB-CZ 3.42Å; N106-Y108 PolarHBondContact ND2-OH 3.01Å; N106-Y108 PolarHBondContact O-N 2.68Å; N106-H109 WeakPolarHBondContact O-CB 3.36Å; N106-H109 PolarHBondContact O-N 3.38Å; N106-F110 PolarHBondContact O-N 3.46Å
107W89.1Confident86.2Confident7 Ų749.8 Ų49.83%0.02725%0.249CC..Hα-helixtrans-62.1-31.9-179.372.9-91.5000113.4H109 F110 L111 A131 L135 F138 D149 L152 M153 F156W107-H109 VanDerWaalsContact C-N 3.31Å; W107-H109 PolarHBondContact O-N 3.43Å; W107-F110 WeakPolarHBondContact O-CB 3.27Å; W107-F110 PolarHBondContact O-N 2.9Å; W107-L111 HydrophobicContact CZ3-CD2 4.01Å; W107-L111 PolarHBondContact O-N 2.82Å; W107-A131 HydrophobicContact CH2-CB 4.35Å; W107-A131 HydrophobicContact CZ3-CB 4.06Å; W107-L135 HydrophobicContact CB-CD1 4.3Å; W107-L135 HydrophobicContact CD2-CB 4.37Å; W107-L135 HydrophobicContact CD2-CD1 3.62Å; W107-L135 HydrophobicContact CE3-CB 4.11Å; W107-L135 HydrophobicContact CE3-CD1 4.2Å; W107-L135 HydrophobicContact CG-CD1 3.62Å; W107-L135 HydrophobicContact CZ2-CD1 4.36Å; W107-L135 HydrophobicContact CZ3-CB 4.4Å; W107-F138 HydrophobicContact CB-CB 3.75Å; W107-F138 HydrophobicContact CB-CD1 3.59Å; W107-F138 HydrophobicContact CB-CD2 4.47Å; W107-F138 HydrophobicContact CB-CE1 4.31Å; W107-F138 HydrophobicContact CB-CG 3.68Å; W107-D149 VanDerWaalsContact NE1-CG 3.32Å; W107-D149 PolarHBondContact NE1-OD1 3.18Å; W107-L152 HydrophobicContact CZ2-CB 4.11Å; W107-L152 HydrophobicContact CZ2-CD1 4.13Å; W107-M153 HydrophobicContact CH2-SD 3.8Å; W107-M153 HydrophobicContact CZ2-SD 4.49Å; W107-M153 HydrophobicContact CZ3-SD 4.38Å; W107-F156 HydrophobicContact CH2-CD2 4.2Å; W107-F156 AromaticContact CH2-CE2 3.74Å; W107-F156 HydrophobicContact CH2-CE2 3.74Å; W107-F156 HydrophobicContact CZ3-CE2 4.33Å
108Y87.9Confident86.1Confident90 Ų9050.6 Ų50.635%0.35326%0.255SS..Hα-helixtrans-72.2-26.9177.352.9-102.7000112N106 L111 V112 L152N106-Y108 VanDerWaalsContact C-N 3.28Å; N106-Y108 HydrophobicContact CB-CD1 3.78Å; N106-Y108 HydrophobicContact CB-CD2 4.2Å; N106-Y108 HydrophobicContact CB-CE1 3.37Å; N106-Y108 HydrophobicContact CB-CE2 3.82Å; N106-Y108 HydrophobicContact CB-CG 4.2Å; N106-Y108 VanDerWaalsContact CB-CZ 3.42Å; N106-Y108 PolarHBondContact ND2-OH 3.01Å; N106-Y108 PolarHBondContact O-N 2.68Å; Y108-L111 PolarHBondContact O-N 2.81Å; Y108-V112 VanDerWaalsContact O-CG2 3.3Å; Y108-V112 WeakPolarHBondContact O-CG2 3.48Å; Y108-V112 PolarHBondContact O-N 2.86Å; Y108-L152 HydrophobicContact CD1-CD1 4.08Å
109H89.3Confident86.1Confident31 Ų3150.5 Ų50.514%0.14426%0.255CS..Hα-helixtrans-65.6-45.8169.6-171.4-175.1000109.1L8 L104 N106 W107 L111 V112 T113L8-H109 PolarHBondContact O-NE2 2.84Å; L104-H109 HydrophobicContact CD2-CB 4.34Å; N106-H109 WeakPolarHBondContact O-CB 3.36Å; N106-H109 PolarHBondContact O-N 3.38Å; W107-H109 VanDerWaalsContact C-N 3.31Å; W107-H109 PolarHBondContact O-N 3.43Å; H109-L111 PolarHBondContact O-N 2.99Å; H109-V112 PolarHBondContact O-N 3.41Å; H109-T113 PolarHBondContact O-N 3.5Å; H109-T113 PolarHBondContact O-OG1 3.27Å
110F89.9Confident85.9Confident0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-57.1-44.6172.6173.5-108.9000112.6L97 L98 L104 N106 W107 V112 T113 R114 S134 M137 F138L97-F110 HydrophobicContact CB-CD2 4.16Å; L97-F110 HydrophobicContact CB-CE2 3.65Å; L97-F110 HydrophobicContact CD1-CE2 4.26Å; L98-F110 HydrophobicContact CD2-CE2 4.13Å; L98-F110 HydrophobicContact CD2-CZ 4.04Å; L98-F110 HydrophobicContact CG-CE2 4.28Å; L98-F110 HydrophobicContact CG-CZ 4.28Å; L104-F110 HydrophobicContact CD1-CB 4.1Å; L104-F110 HydrophobicContact CD1-CD2 3.84Å; L104-F110 HydrophobicContact CD1-CG 4.45Å; N106-F110 PolarHBondContact O-N 3.46Å; W107-F110 WeakPolarHBondContact O-CB 3.27Å; W107-F110 PolarHBondContact O-N 2.9Å; F110-V112 PolarHBondContact O-N 3.37Å; F110-T113 PolarHBondContact O-N 3.49Å; F110-R114 VanDerWaalsContact O-CB 3.27Å; F110-R114 WeakPolarHBondContact O-CB 3.41Å; F110-R114 PolarHBondContact O-N 3.48Å; F110-S134 WeakPolarHBondContact CE1-OG 3.44Å; F110-M137 HydrophobicContact CE1-CB 4.33Å; F110-M137 HydrophobicContact CE1-SD 4.28Å; F110-M137 HydrophobicContact CZ-SD 4.3Å; F110-F138 HydrophobicContact CB-CD2 4Å; F110-F138 HydrophobicContact CB-CE2 4.43Å; F110-F138 HydrophobicContact CG-CD2 4.34Å
111L90.6Very high85.9Confident3 Ų346.5 Ų46.52%0.01624%0.244CC..Hα-helixtrans-56.3-51.1175.1174.363.6000111.8W107 Y108 H109 T113 R114 L115 A131 F156W107-L111 HydrophobicContact CZ3-CD2 4.01Å; W107-L111 PolarHBondContact O-N 2.82Å; Y108-L111 PolarHBondContact O-N 2.81Å; H109-L111 PolarHBondContact O-N 2.99Å; L111-T113 VanDerWaalsContact C-N 3.35Å; L111-T113 PolarHBondContact O-N 2.92Å; L111-R114 PolarHBondContact O-N 3.47Å; L111-L115 HydrophobicContact CD1-CD1 3.87Å; L111-L115 HydrophobicContact CD1-CG 4.08Å; L111-L115 HydrophobicContact CG-CD1 3.97Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.41Å; L111-A131 HydrophobicContact CD2-CB 3.81Å; L111-F156 HydrophobicContact CD2-CE1 4.36Å; L111-F156 HydrophobicContact CD2-CE2 3.87Å; L111-F156 HydrophobicContact CD2-CZ 3.7Å
112V90.3Very high86Confident91 Ų9144.1 Ų44.155%0.55224%0.237SC*.Hα-helixtrans-62.4-43.5-178.81720000110.9Y108 H109 F110 L115 L116Y108-V112 VanDerWaalsContact O-CG2 3.3Å; Y108-V112 WeakPolarHBondContact O-CG2 3.48Å; Y108-V112 PolarHBondContact O-N 2.86Å; H109-V112 PolarHBondContact O-N 3.41Å; F110-V112 PolarHBondContact O-N 3.37Å; V112-L115 PolarHBondContact O-N 3.03Å; V112-L116 VanDerWaalsContact O-CB 3.29Å; V112-L116 WeakPolarHBondContact O-CB 3.23Å; V112-L116 PolarHBondContact O-N 3.38Å
113T89.8Confident86.2Confident0 Ų041.4 Ų41.40%022%0.221CC..Hα-helixtrans-63.3-42.7176.6-52.70000111.8L8 L97 H109 F110 L111 L116 Y117L8-T113 HydrophobicContact CB-CG2 4.45Å; L8-T113 HydrophobicContact CD2-CG2 3.78Å; L8-T113 PolarHBondContact O-OG1 2.87Å; L97-T113 HydrophobicContact CD2-CG2 3.65Å; H109-T113 PolarHBondContact O-N 3.5Å; H109-T113 PolarHBondContact O-OG1 3.27Å; F110-T113 PolarHBondContact O-N 3.49Å; L111-T113 VanDerWaalsContact C-N 3.35Å; L111-T113 PolarHBondContact O-N 2.92Å; T113-L116 PolarHBondContact O-N 3.2Å; T113-Y117 HydrophobicContact CG2-CD2 3.73Å; T113-Y117 HydrophobicContact CG2-CE2 3.81Å; T113-Y117 WeakPolarHBondContact O-CD2 3.22Å; T113-Y117 PolarHBondContact O-N 3.46Å; T113-Y117 VanDerWaalsContact O-N 3.11Å
114R89.9Confident86.3Confident20 Ų2042.6 Ų42.68%0.07523%0.233CC..Hα-helixtrans-61.9-45.7177-176.3-178.8179.9-163.12.8111.1E94 F110 L111 S118 S133 S134E94-R114 IonicContact OE1-CZ 2.99Å; E94-R114 IonicContact OE1-NE 3.74Å; E94-R114 PolarHBondContact OE1-NE 3.26Å; E94-R114 IonicContact OE1-NH2 2.77Å; E94-R114 PolarHBondContact OE1-NH2 3.48Å; F110-R114 VanDerWaalsContact O-CB 3.27Å; F110-R114 WeakPolarHBondContact O-CB 3.41Å; F110-R114 PolarHBondContact O-N 3.48Å; L111-R114 PolarHBondContact O-N 3.47Å; R114-S118 WeakPolarHBondContact O-CA 3.34Å; R114-S118 WeakPolarHBondContact O-CB 3.31Å; R114-S118 PolarHBondContact O-N 2.86Å; R114-S118 PolarHBondContact O-OG 3.02Å; R114-S133 PolarHBondContact NH1-OG 3.47Å; R114-S133 PolarHBondContact NH2-OG 3.39Å; R114-S134 WeakPolarHBondContact CD-OG 3.31Å; R114-S134 PolarHBondContact NH1-OG 3.11Å
115L89.6Confident86.7Confident28 Ų2849 Ų4915%0.14727%0.266CS..Hα-helixtrans-63.5-43.5176.9-69.4171.7000111.4L111 V112 Y117 N119 V122 L127 Y130L111-L115 HydrophobicContact CD1-CD1 3.87Å; L111-L115 HydrophobicContact CD1-CG 4.08Å; L111-L115 HydrophobicContact CG-CD1 3.97Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.41Å; V112-L115 PolarHBondContact O-N 3.03Å; L115-Y117 VanDerWaalsContact C-N 3.35Å; L115-Y117 PolarHBondContact O-N 3.2Å; L115-N119 CarbonylContact O-C 3.53Å; L115-N119 PolarHBondContact O-N 3.09Å; L115-V122 HydrophobicContact CD2-CB 4.12Å; L115-V122 HydrophobicContact CD2-CG1 4.41Å; L115-V122 HydrophobicContact CD2-CG2 3.69Å; L115-L127 HydrophobicContact CD1-CD1 3.48Å; L115-L127 VanDerWaalsContact CD1-CD1 3.48Å; L115-L127 HydrophobicContact CD2-CD1 4.49Å; L115-Y130 HydrophobicContact CD2-CD1 4.29Å; L115-Y130 HydrophobicContact CD2-CD2 4.24Å; L115-Y130 HydrophobicContact CD2-CG 3.95Å
116L88.9Confident87.1Confident53 Ų5348.1 Ų48.128%0.27725%0.254SS..Hα-helixtrans-58.5-43.5179.8179.963.4000112.9M43 V112 T113M43-L116 HydrophobicContact CE-CD1 3.59Å; M43-L116 HydrophobicContact CE-CG 3.8Å; V112-L116 VanDerWaalsContact O-CB 3.29Å; V112-L116 WeakPolarHBondContact O-CB 3.23Å; V112-L116 PolarHBondContact O-N 3.38Å; T113-L116 PolarHBondContact O-N 3.2Å
117Y87.6Confident87.2Confident0 Ų047.1 Ų47.10%025%0.249CC..Hα-helixtrans-100.9-10.3-175.4-64.8-58000115.4V7 L12 M43 W61 W64 I89 M90 T113 L115V7-Y117 HydrophobicContact CG1-CE2 4.32Å; V7-Y117 WeakPolarHBondContact CG1-OH 3.38Å; V7-Y117 WeakPolarHBondContact O-CE2 3.41Å; V7-Y117 PolarHBondContact O-OH 3.23Å; L12-Y117 WeakPolarHBondContact CD2-OH 3.27Å; M43-Y117 HydrophobicContact CE-CD1 4.08Å; M43-Y117 HydrophobicContact CE-CE1 3.94Å; M43-Y117 HydrophobicContact SD-CE1 4.22Å; W61-Y117 VanDerWaalsContact CZ2-O 3.3Å; W61-Y117 WeakPolarHBondContact CZ2-O 3.46Å; W64-Y117 HydrophobicContact CH2-CD1 4.16Å; W64-Y117 HydrophobicContact CH2-CE1 4.44Å; I89-Y117 HydrophobicContact CG2-CE2 4.39Å; M90-Y117 HydrophobicContact CB-CD1 4.43Å; M90-Y117 HydrophobicContact CB-CE1 4.37Å; M90-Y117 HydrophobicContact CG-CE1 4.16Å; M90-Y117 VanDerWaalsContact O-CD1 3.3Å; M90-Y117 WeakPolarHBondContact O-CD1 3.48Å; T113-Y117 HydrophobicContact CG2-CD2 3.73Å; T113-Y117 HydrophobicContact CG2-CE2 3.81Å; T113-Y117 WeakPolarHBondContact O-CD2 3.22Å; T113-Y117 PolarHBondContact O-N 3.46Å; T113-Y117 VanDerWaalsContact O-N 3.11Å; L115-Y117 VanDerWaalsContact C-N 3.35Å; L115-Y117 PolarHBondContact O-N 3.2Å
118S85.8Confident87.3Confident16 Ų1648.2 Ų48.211%0.11225%0.254CS..Hα-helixtrans-112.3-42.2-179.4-44.10000112.7W61 R114W61-S118 WeakPolarHBondContact CH2-O 3.02Å; R114-S118 WeakPolarHBondContact O-CA 3.34Å; R114-S118 WeakPolarHBondContact O-CB 3.31Å; R114-S118 PolarHBondContact O-N 2.86Å; R114-S118 PolarHBondContact O-OG 3.02Å
119N84.1Confident87.4Confident59 Ų5950.3 Ų50.332%0.31627%0.265SS..  trans-154.487.5-176-65.4-63.8000110.7L115 T121 V122 Y130L115-N119 CarbonylContact O-C 3.53Å; L115-N119 PolarHBondContact O-N 3.09Å; N119-T121 VanDerWaalsContact C-N 3.28Å; N119-T121 PolarHBondContact O-N 3.11Å; N119-V122 HydrophobicContact CB-CG2 3.44Å; N119-V122 VanDerWaalsContact CB-CG2 3.44Å; N119-V122 WeakPolarHBondContact O-CG2 3.29Å; N119-Y130 PolarHBondContact ND2-OH 3.01Å
120P82.7Confident87.5Confident47 Ų4751.8 Ų51.831%0.30527%0.27SS..THydrogen-bonded Turntrans-74.7-15.6-176.429.5-36.2000113.9W61W61-P120 HydrophobicContact CD2-CG 3.86Å; W61-P120 HydrophobicContact CG-CG 3.8Å
121T81.4Confident87.5Confident52 Ų5251.8 Ų51.832%0.31927%0.27SS..THydrogen-bonded Turntrans-107.120.6-175.758.20000113.4L57 E58 N119 K123L57-T121 HydrophobicContact CD2-CG2 4.26Å; E58-T121 WeakPolarHBondContact OE2-CB 3.4Å; E58-T121 WeakPolarHBondContact OE2-CG2 3.3Å; E58-T121 PolarHBondContact OE2-OG1 3.05Å; N119-T121 VanDerWaalsContact C-N 3.28Å; N119-T121 PolarHBondContact O-N 3.11Å; T121-K123 PolarHBondContact O-N 3.37Å
122V85.1Confident87.5Confident37 Ų3755.7 Ų55.722%0.22429%0.288CS..  trans-52.9129.2178.3168.70000110.5L115 N119 D126 L127 Y130L115-V122 HydrophobicContact CD2-CB 4.12Å; L115-V122 HydrophobicContact CD2-CG1 4.41Å; L115-V122 HydrophobicContact CD2-CG2 3.69Å; N119-V122 HydrophobicContact CB-CG2 3.44Å; N119-V122 VanDerWaalsContact CB-CG2 3.44Å; N119-V122 WeakPolarHBondContact O-CG2 3.29Å; V122-D126 HydrophobicContact CG1-CB 4.31Å; V122-L127 HydrophobicContact CG1-CB 4.45Å; V122-Y130 HydrophobicContact CB-CE2 4.38Å; V122-Y130 HydrophobicContact CG1-CD2 3.78Å; V122-Y130 HydrophobicContact CG1-CE2 3.78Å; V122-Y130 HydrophobicContact CG2-CD2 4.05Å; V122-Y130 HydrophobicContact CG2-CE2 3.57Å
123K85.5Confident87.6Confident138 Ų13853 Ų5360%0.627%0.273SS*.  trans-69144.8176.4-65.9176.9-176.7171.60109.1T121 I125 D126 L127T121-K123 PolarHBondContact O-N 3.37Å; K123-I125 PolarHBondContact O-N 3.26Å; K123-I125 VanDerWaalsContact O-N 3.1Å; K123-D126 PolarHBondContact O-N 3.48Å; K123-L127 PolarHBondContact O-N 2.88Å
124P83.6Confident87.6Confident80 Ų8053 Ų5352%0.51927%0.273SS..G310 helixtrans-51.6-38.6177.6-28.334.8000113.3D126 L127 F158P124-D126 PolarHBondContact O-N 3.22Å; P124-L127 WeakPolarHBondContact O-CB 3.1Å; P124-L127 PolarHBondContact O-N 3.13Å; P124-F158 HydrophobicContact CB-CE2 3.87Å; P124-F158 HydrophobicContact CB-CZ 3.61Å; P124-F158 WeakPolarHBondContact O-CE2 3.21Å
125I84.4Confident87.5Confident137 Ų13752.9 Ų52.970%0.70327%0.274SS*.G310 helixtrans-63.1-31.7-178.8-55.9165.1000112.2K123K123-I125 PolarHBondContact O-N 3.26Å; K123-I125 VanDerWaalsContact O-N 3.1Å
126D87.4Confident87.5Confident65 Ų6556.1 Ų56.135%0.34829%0.292SS..G310 helixtrans-91.7-9.3-177.1-57.2-42.3000112.2V122 K123 P124 H128 F129 Y130V122-D126 HydrophobicContact CG1-CB 4.31Å; K123-D126 PolarHBondContact O-N 3.48Å; P124-D126 PolarHBondContact O-N 3.22Å; D126-H128 VanDerWaalsContact C-N 3.27Å; D126-H128 PolarHBondContact O-N 2.81Å; D126-F129 HydrophobicContact CB-CD2 4.46Å; D126-F129 PolarHBondContact O-N 2.86Å; D126-F129 VanDerWaalsContact O-N 3.15Å; D126-Y130 WeakPolarHBondContact O-CD2 3.35Å
127L89.1Confident87.4Confident36 Ų3656.6 Ų56.619%0.18829%0.293CS..Hα-helixtrans-60.4-36.7-174.5-176.458.1000112.5L115 V122 K123 P124 F129 Y130 A131 F156L115-L127 HydrophobicContact CD1-CD1 3.48Å; L115-L127 VanDerWaalsContact CD1-CD1 3.48Å; L115-L127 HydrophobicContact CD2-CD1 4.49Å; V122-L127 HydrophobicContact CG1-CB 4.45Å; K123-L127 PolarHBondContact O-N 2.88Å; P124-L127 WeakPolarHBondContact O-CB 3.1Å; P124-L127 PolarHBondContact O-N 3.13Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 3.28Å; L127-Y130 PolarHBondContact O-N 2.86Å; L127-A131 PolarHBondContact O-N 3.39Å; L127-F156 HydrophobicContact CD2-CD1 3.47Å; L127-F156 VanDerWaalsContact CD2-CD1 3.47Å; L127-F156 HydrophobicContact CD2-CE1 3.78Å; L127-F156 HydrophobicContact CG-CD1 3.69Å; L127-F156 HydrophobicContact CG-CE1 4.14Å; L127-F156 HydrophobicContact CG-CG 4.47Å
128H90.3Very high87.3Confident30 Ų3057.6 Ų57.614%0.13930%0.298CS..Hα-helixtrans-58.1-41176.8168.367.8000112.7D126 Y130 A131 Q132 M153 F156 E157D126-H128 VanDerWaalsContact C-N 3.27Å; D126-H128 PolarHBondContact O-N 2.81Å; H128-Y130 VanDerWaalsContact C-N 3.31Å; H128-Y130 PolarHBondContact O-N 3.49Å; H128-A131 PolarHBondContact O-N 3.21Å; H128-Q132 PolarHBondContact NE2-OE1 2.93Å; H128-Q132 WeakPolarHBondContact O-CB 3.47Å; H128-Q132 PolarHBondContact O-N 3.23Å; H128-M153 VanDerWaalsContact CE1-CE 3.49Å; H128-M153 WeakPolarHBondContact CE1-CE 3.42Å; H128-F156 HydrophobicContact CB-CB 4.42Å; H128-E157 HydrophobicContact CB-CG 4.02Å; H128-E157 VanDerWaalsContact CE1-CD 3.47Å; H128-E157 VanDerWaalsContact CE1-CG 3.49Å; H128-E157 WeakPolarHBondContact CE1-CG 3.49Å; H128-E157 IonicContact CE1-OE1 3.55Å; H128-E157 PolarHBondContact CE1-OE1 3.31Å; H128-E157 VanDerWaalsContact CG-CG 3.4Å; H128-E157 WeakPolarHBondContact ND1-CG 3.32Å; H128-E157 IonicContact ND1-OE1 2.83Å; H128-E157 PolarHBondContact ND1-OE1 3.42Å; H128-E157 IonicContact NE2-OE1 3.23Å
129F90.8Very high87.2Confident133 Ų13358.5 Ų58.558%0.58330%0.301SS*.Hα-helixtrans-62.7-40.2179-62.7-71.1000111.8D126 L127 S133D126-F129 HydrophobicContact CB-CD2 4.46Å; D126-F129 PolarHBondContact O-N 2.86Å; D126-F129 VanDerWaalsContact O-N 3.15Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 3.28Å; F129-S133 WeakPolarHBondContact O-CB 3.35Å; F129-S133 PolarHBondContact O-N 3.27Å
130Y90.4Very high86.7Confident62 Ų6258.3 Ų58.324%0.24331%0.312CS..Hα-helixtrans-67.9-41.2174.9-68.9-79.2000111.5L115 N119 V122 D126 L127 H128 S133 S134L115-Y130 HydrophobicContact CD2-CD1 4.29Å; L115-Y130 HydrophobicContact CD2-CD2 4.24Å; L115-Y130 HydrophobicContact CD2-CG 3.95Å; N119-Y130 PolarHBondContact ND2-OH 3.01Å; V122-Y130 HydrophobicContact CB-CE2 4.38Å; V122-Y130 HydrophobicContact CG1-CD2 3.78Å; V122-Y130 HydrophobicContact CG1-CE2 3.78Å; V122-Y130 HydrophobicContact CG2-CD2 4.05Å; V122-Y130 HydrophobicContact CG2-CE2 3.57Å; D126-Y130 WeakPolarHBondContact O-CD2 3.35Å; L127-Y130 PolarHBondContact O-N 2.86Å; H128-Y130 VanDerWaalsContact C-N 3.31Å; H128-Y130 PolarHBondContact O-N 3.49Å; Y130-S133 PolarHBondContact O-N 3.36Å; Y130-S134 VanDerWaalsContact O-CB 3.22Å; Y130-S134 WeakPolarHBondContact O-CB 3.47Å; Y130-S134 PolarHBondContact O-N 2.61Å; Y130-S134 PolarHBondContact O-OG 3.06Å
131A91.1Very high85.8Confident0 Ų059.7 Ų59.70%034%0.336CS..Hα-helixtrans-60.7-49.8177.500000111.7W107 L111 L127 H128 S134 L135 M153 F156W107-A131 HydrophobicContact CH2-CB 4.35Å; W107-A131 HydrophobicContact CZ3-CB 4.06Å; L111-A131 HydrophobicContact CD2-CB 3.81Å; L127-A131 PolarHBondContact O-N 3.39Å; H128-A131 PolarHBondContact O-N 3.21Å; A131-S134 PolarHBondContact O-N 3.23Å; A131-L135 WeakPolarHBondContact O-CB 3.25Å; A131-L135 PolarHBondContact O-N 3.5Å; A131-M153 HydrophobicContact CB-CE 4.42Å; A131-M153 HydrophobicContact CB-SD 4Å; A131-F156 HydrophobicContact CB-CB 4.26Å; A131-F156 HydrophobicContact CB-CD2 3.52Å; A131-F156 HydrophobicContact CB-CE2 4.01Å; A131-F156 HydrophobicContact CB-CG 3.96Å
132Q90.4Very high84.8Confident86 Ų8666.1 Ų66.140%0.40236%0.362SS..Hα-helixtrans-61.6-49.1177.9-170.3176.46.700111.3H128 S134 L135 D136 M153H128-Q132 PolarHBondContact NE2-OE1 2.93Å; H128-Q132 WeakPolarHBondContact O-CB 3.47Å; H128-Q132 PolarHBondContact O-N 3.23Å; Q132-S134 VanDerWaalsContact C-N 3.28Å; Q132-S134 PolarHBondContact O-N 2.91Å; Q132-L135 WeakPolarHBondContact O-CB 3.41Å; Q132-L135 PolarHBondContact O-N 3.46Å; Q132-L135 VanDerWaalsContact O-N 3.17Å; Q132-D136 VanDerWaalsContact O-CG 3.32Å; Q132-D136 PolarHBondContact O-N 3Å; Q132-M153 HydrophobicContact CB-CE 3.71Å; Q132-M153 HydrophobicContact CG-CE 4.26Å
133S91Very high84Confident34 Ų3467.9 Ų67.924%0.23838%0.376CS..Hα-helixtrans-58.2-40.7177.2171.50000112.1R114 F129 Y130 M137R114-S133 PolarHBondContact NH1-OG 3.47Å; R114-S133 PolarHBondContact NH2-OG 3.39Å; F129-S133 WeakPolarHBondContact O-CB 3.35Å; F129-S133 PolarHBondContact O-N 3.27Å; Y130-S133 PolarHBondContact O-N 3.36Å; S133-M137 WeakPolarHBondContact O-CB 3.46Å; S133-M137 VanDerWaalsContact O-CG 3.23Å; S133-M137 WeakPolarHBondContact O-CG 3.41Å; S133-M137 PolarHBondContact O-N 3.43Å; S133-M137 VanDerWaalsContact O-N 3.09Å; S133-M137 WeakPolarHBondContact OG-CE 3.46Å
134S90.2Very high83.3Confident0 Ų066.3 Ų66.30%038%0.383CS..Hα-helixtrans-70-37177.8-80.20000112.8F110 R114 Y130 A131 Q132 F138F110-S134 WeakPolarHBondContact CE1-OG 3.44Å; R114-S134 WeakPolarHBondContact CD-OG 3.31Å; R114-S134 PolarHBondContact NH1-OG 3.11Å; Y130-S134 VanDerWaalsContact O-CB 3.22Å; Y130-S134 WeakPolarHBondContact O-CB 3.47Å; Y130-S134 PolarHBondContact O-N 2.61Å; Y130-S134 PolarHBondContact O-OG 3.06Å; A131-S134 PolarHBondContact O-N 3.23Å; Q132-S134 VanDerWaalsContact C-N 3.28Å; Q132-S134 PolarHBondContact O-N 2.91Å; S134-F138 WeakPolarHBondContact O-CB 3.36Å; S134-F138 PolarHBondContact O-N 3.22Å
135L88.8Confident83.1Confident17 Ų1765.1 Ų65.19%0.08938%0.375CS..Hα-helixtrans-62.9-47.7173.9-175.170.5000110.9W107 A131 Q132 F138 L139 M153W107-L135 HydrophobicContact CB-CD1 4.3Å; W107-L135 HydrophobicContact CD2-CB 4.37Å; W107-L135 HydrophobicContact CD2-CD1 3.62Å; W107-L135 HydrophobicContact CE3-CB 4.11Å; W107-L135 HydrophobicContact CE3-CD1 4.2Å; W107-L135 HydrophobicContact CG-CD1 3.62Å; W107-L135 HydrophobicContact CZ2-CD1 4.36Å; W107-L135 HydrophobicContact CZ3-CB 4.4Å; A131-L135 WeakPolarHBondContact O-CB 3.25Å; A131-L135 PolarHBondContact O-N 3.5Å; Q132-L135 WeakPolarHBondContact O-CB 3.41Å; Q132-L135 PolarHBondContact O-N 3.46Å; Q132-L135 VanDerWaalsContact O-N 3.17Å; L135-F138 PolarHBondContact O-N 3.19Å; L135-L139 HydrophobicContact CD1-CD1 3.41Å; L135-L139 VanDerWaalsContact CD1-CD1 3.41Å; L135-L139 HydrophobicContact CD1-CG 3.97Å; L135-L139 HydrophobicContact CG-CD1 3.86Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CB 3.14Å; L135-L139 PolarHBondContact O-N 3.11Å; L135-M153 HydrophobicContact CD2-CG 4.26Å; L135-M153 HydrophobicContact CD2-SD 4.26Å
136D88.6Confident83Confident97 Ų9764.6 Ų64.652%0.51937%0.369SS..Hα-helixtrans-62-46.2-179.4-69.4-22.4000111.7Q132 F138 G140Q132-D136 VanDerWaalsContact O-CG 3.32Å; Q132-D136 PolarHBondContact O-N 3Å; D136-F138 PolarHBondContact O-N 3.09Å; D136-G140 WeakPolarHBondContact O-CA 3.43Å; D136-G140 PolarHBondContact O-N 2.99Å
137M87.1Confident82.7Confident63 Ų6366 Ų6631%0.3138%0.382SS..Hα-helixtrans-63.6-40176.5-70.9172.5-173.400112.2E94 L98 F110 S133E94-M137 WeakPolarHBondContact OE2-CE 3.2Å; L98-M137 HydrophobicContact CD2-CB 4.34Å; F110-M137 HydrophobicContact CE1-CB 4.33Å; F110-M137 HydrophobicContact CE1-SD 4.28Å; F110-M137 HydrophobicContact CZ-SD 4.3Å; S133-M137 WeakPolarHBondContact O-CB 3.46Å; S133-M137 VanDerWaalsContact O-CG 3.23Å; S133-M137 WeakPolarHBondContact O-CG 3.41Å; S133-M137 PolarHBondContact O-N 3.43Å; S133-M137 VanDerWaalsContact O-N 3.09Å; S133-M137 WeakPolarHBondContact OG-CE 3.46Å
138F85.7Confident82.4Confident21 Ų2168.6 Ų68.69%0.09240%0.396CS..Hα-helixtrans-79.4-40.9-174.9-167.9-87.8000112.5K101 L104 W107 F110 S134 L135 D136 G140K101-F138 HydrophobicContact CD-CE2 4.49Å; K101-F138 WeakPolarHBondContact CE-O 3.34Å; K101-F138 HydrophobicContact CG-CD2 4.12Å; K101-F138 HydrophobicContact CG-CE2 3.62Å; K101-F138 HydrophobicContact CG-CZ 3.99Å; K101-F138 PolarHBondContact NZ-O 3.31Å; L104-F138 HydrophobicContact CB-CE2 4.05Å; L104-F138 VanDerWaalsContact O-CZ 3.26Å; L104-F138 WeakPolarHBondContact O-CZ 3.34Å; W107-F138 HydrophobicContact CB-CB 3.75Å; W107-F138 HydrophobicContact CB-CD1 3.59Å; W107-F138 HydrophobicContact CB-CD2 4.47Å; W107-F138 HydrophobicContact CB-CE1 4.31Å; W107-F138 HydrophobicContact CB-CG 3.68Å; F110-F138 HydrophobicContact CB-CD2 4Å; F110-F138 HydrophobicContact CB-CE2 4.43Å; F110-F138 HydrophobicContact CG-CD2 4.34Å; S134-F138 WeakPolarHBondContact O-CB 3.36Å; S134-F138 PolarHBondContact O-N 3.22Å; L135-F138 PolarHBondContact O-N 3.19Å; D136-F138 PolarHBondContact O-N 3.09Å; F138-G140 VanDerWaalsContact C-N 3.34Å
139L82.5Confident82.3Confident35 Ų3567.7 Ų67.718%0.18339%0.392CS..Hα-helixtrans-81.6-16.8178.2-64.7-179.1000112.6L135 G141 E142L135-L139 HydrophobicContact CD1-CD1 3.41Å; L135-L139 VanDerWaalsContact CD1-CD1 3.41Å; L135-L139 HydrophobicContact CD1-CG 3.97Å; L135-L139 HydrophobicContact CG-CD1 3.86Å; L135-L139 HydrophobicContact CG-CG 4.46Å; L135-L139 WeakPolarHBondContact O-CB 3.14Å; L135-L139 PolarHBondContact O-N 3.11Å; L139-G141 PolarHBondContact O-N 2.94Å; L139-E142 PolarHBondContact O-N 3.46Å; L139-E142 VanDerWaalsContact O-N 3.13Å
140G73.8Confident82.1Confident54 Ų5464.4 Ų64.456%0.55738%0.38SS*.THydrogen-bonded Turntrans5917.617600000113.9D136 F138 E142D136-G140 WeakPolarHBondContact O-CA 3.43Å; D136-G140 PolarHBondContact O-N 2.99Å; F138-G140 VanDerWaalsContact C-N 3.34Å; G140-E142 PolarHBondContact O-N 3.02Å
141G63.9Low82Confident77 Ų7763 Ų6379%0.79438%0.377SS*.THydrogen-bonded Turntrans70.90.1-174.700000116L139L139-G141 PolarHBondContact O-N 2.94Å
142E61.4Low81.9Confident186 Ų18665.4 Ų65.487%0.86939%0.389SS*.THydrogen-bonded Turntrans-90.7-24.5-175.6-66-166.3156.600113.5L139 G140L139-E142 PolarHBondContact O-N 3.46Å; L139-E142 VanDerWaalsContact O-N 3.13Å; G140-E142 PolarHBondContact O-N 3.02Å
143S67.9Low81.9Confident74 Ų7462.2 Ų62.252%0.51737%0.374SS..SBendtrans-113.7132.5-178.5-61.60000110.9
144S71.6Confident81.9Confident106 Ų10660.8 Ų60.874%0.74137%0.365SS*.PPolyproline II helixtrans-69.6138.3172.3570000110.1
145P78.9Confident81.9Confident55 Ų5563 Ų6336%0.35738%0.383SS..PPolyproline II helixtrans-58139.817623.4-32.4000110.9D149P145-D149 HydrophobicContact CB-CB 3.88Å
146E81.9Confident82Confident126 Ų12664.4 Ų64.459%0.58939%0.389SS*.PPolyproline II helixtrans-70159.2174.7-65.5-167.2114.500110.3L148 D149 N150E146-L148 PolarHBondContact O-N 2.81Å; E146-L148 VanDerWaalsContact O-N 3.13Å; E146-D149 PolarHBondContact N-OD2 2.92Å; E146-D149 WeakPolarHBondContact O-CA 3.49Å; E146-D149 VanDerWaalsContact O-CB 3.31Å; E146-D149 WeakPolarHBondContact O-CB 3.45Å; E146-D149 PolarHBondContact O-N 3.29Å; E146-N150 PolarHBondContact O-N 3.4Å
147P80.9Confident82.1Confident94 Ų9464.8 Ų64.861%0.6139%0.387SS*.Hα-helixtrans-55.2-33.8176.4-26.334.9000113.3D149 N150 I151P147-D149 VanDerWaalsContact C-N 3.32Å; P147-N150 PolarHBondContact O-N 3.02Å; P147-I151 WeakPolarHBondContact O-CG1 3.33Å; P147-I151 PolarHBondContact O-N 3.39Å
148L83.8Confident82.1Confident91 Ų9168.1 Ų68.148%0.47640%0.4SS..Hα-helixtrans-65-36174.5-178.161.6000112.1E146 N150 I151 L152E146-L148 PolarHBondContact O-N 2.81Å; E146-L148 VanDerWaalsContact O-N 3.13Å; L148-N150 VanDerWaalsContact C-N 3.32Å; L148-N150 PolarHBondContact O-N 3.16Å; L148-I151 WeakPolarHBondContact O-CB 3.26Å; L148-I151 PolarHBondContact O-N 3.15Å; L148-L152 HydrophobicContact CG-CD1 4.24Å; L148-L152 HydrophobicContact CG-CG 4.48Å; L148-L152 WeakPolarHBondContact O-CG 3.42Å; L148-L152 PolarHBondContact O-N 3.17Å
149D87.6Confident82.2Confident10 Ų1070.1 Ų70.15%0.05341%0.412CS..Hα-helixtrans-64.8-40.3178-59.5-30.5000110.5W107 P145 E146 P147 I151 L152 M153W107-D149 VanDerWaalsContact NE1-CG 3.32Å; W107-D149 PolarHBondContact NE1-OD1 3.18Å; P145-D149 HydrophobicContact CB-CB 3.88Å; E146-D149 PolarHBondContact N-OD2 2.92Å; E146-D149 WeakPolarHBondContact O-CA 3.49Å; E146-D149 VanDerWaalsContact O-CB 3.31Å; E146-D149 WeakPolarHBondContact O-CB 3.45Å; E146-D149 PolarHBondContact O-N 3.29Å; P147-D149 VanDerWaalsContact C-N 3.32Å; D149-I151 VanDerWaalsContact C-N 3.32Å; D149-I151 PolarHBondContact O-N 3.26Å; D149-L152 PolarHBondContact O-N 3.49Å; D149-M153 WeakPolarHBondContact O-CB 3.49Å; D149-M153 VanDerWaalsContact O-CG 3.25Å; D149-M153 WeakPolarHBondContact O-CG 3.49Å; D149-M153 PolarHBondContact O-N 3.35Å
150N86.1Confident82.4Confident65 Ų6573.2 Ų73.235%0.34843%0.428SS..Hα-helixtrans-62.8-39.1175.3-63-30.3000111.9E146 P147 L148 A154E146-N150 PolarHBondContact O-N 3.4Å; P147-N150 PolarHBondContact O-N 3.02Å; L148-N150 VanDerWaalsContact C-N 3.32Å; L148-N150 PolarHBondContact O-N 3.16Å; N150-A154 WeakPolarHBondContact O-CB 3.11Å; N150-A154 PolarHBondContact O-N 2.9Å
151I87.9Confident82.8Confident33 Ų3377.6 Ų77.617%0.16943%0.433CS..Hα-helixtrans-63.4-46.6174.2-65.6163.8000110.4P147 L148 D149 A154 A155 V163 E166P147-I151 WeakPolarHBondContact O-CG1 3.33Å; P147-I151 PolarHBondContact O-N 3.39Å; L148-I151 WeakPolarHBondContact O-CB 3.26Å; L148-I151 PolarHBondContact O-N 3.15Å; D149-I151 VanDerWaalsContact C-N 3.32Å; D149-I151 PolarHBondContact O-N 3.26Å; I151-A154 PolarHBondContact O-N 3.1Å; I151-A155 WeakPolarHBondContact O-CB 3.25Å; I151-A155 PolarHBondContact O-N 2.93Å; I151-V163 HydrophobicContact CG2-CG1 4.16Å; I151-E166 HydrophobicContact CD1-CB 4.24Å; I151-E166 HydrophobicContact CG1-CB 3.44Å; I151-E166 VanDerWaalsContact CG1-CB 3.44Å; I151-E166 HydrophobicContact CG1-CG 4.47Å
152L90Very high83.8Confident49 Ų4976.8 Ų76.826%0.25741%0.409SS..Hα-helixtrans-64.1-41.9179.4-71.5173000111.7W107 Y108 L148 D149 A155 F156W107-L152 HydrophobicContact CZ2-CB 4.11Å; W107-L152 HydrophobicContact CZ2-CD1 4.13Å; Y108-L152 HydrophobicContact CD1-CD1 4.08Å; L148-L152 HydrophobicContact CG-CD1 4.24Å; L148-L152 HydrophobicContact CG-CG 4.48Å; L148-L152 WeakPolarHBondContact O-CG 3.42Å; L148-L152 PolarHBondContact O-N 3.17Å; D149-L152 PolarHBondContact O-N 3.49Å; L152-A155 WeakPolarHBondContact O-CB 3.43Å; L152-A155 PolarHBondContact O-N 2.77Å; L152-F156 HydrophobicContact CB-CE2 4.29Å; L152-F156 WeakPolarHBondContact O-CD2 3.45Å; L152-F156 WeakPolarHBondContact O-CG 3.06Å; L152-F156 PolarHBondContact O-N 3.29Å
153M90.5Very high85Confident19 Ų1969.1 Ų69.19%0.09438%0.375CS..Hα-helixtrans-60.6-47.7175.8-73.3-54.1-64.500111.5W107 H128 A131 Q132 L135 D149 A155 F156 E157W107-M153 HydrophobicContact CH2-SD 3.8Å; W107-M153 HydrophobicContact CZ2-SD 4.49Å; W107-M153 HydrophobicContact CZ3-SD 4.38Å; H128-M153 VanDerWaalsContact CE1-CE 3.49Å; H128-M153 WeakPolarHBondContact CE1-CE 3.42Å; A131-M153 HydrophobicContact CB-CE 4.42Å; A131-M153 HydrophobicContact CB-SD 4Å; Q132-M153 HydrophobicContact CB-CE 3.71Å; Q132-M153 HydrophobicContact CG-CE 4.26Å; L135-M153 HydrophobicContact CD2-CG 4.26Å; L135-M153 HydrophobicContact CD2-SD 4.26Å; D149-M153 WeakPolarHBondContact O-CB 3.49Å; D149-M153 VanDerWaalsContact O-CG 3.25Å; D149-M153 WeakPolarHBondContact O-CG 3.49Å; D149-M153 PolarHBondContact O-N 3.35Å; M153-A155 VanDerWaalsContact C-N 3.27Å; M153-A155 PolarHBondContact O-N 3.42Å; M153-F156 PolarHBondContact O-N 3.19Å; M153-F156 VanDerWaalsContact O-N 3.16Å; M153-E157 PolarHBondContact O-N 3.3Å
154A89.9Confident85.6Confident4 Ų468 Ų683%0.03336%0.363CS..Hα-helixtrans-60.5-37.4174.600000112.2N150 I151 E157 F158 D159 Q162 V163N150-A154 WeakPolarHBondContact O-CB 3.11Å; N150-A154 PolarHBondContact O-N 2.9Å; I151-A154 PolarHBondContact O-N 3.1Å; A154-E157 PolarHBondContact O-N 3.27Å; A154-F158 PolarHBondContact O-N 2.99Å; A154-D159 PolarHBondContact O-N 3.07Å; A154-Q162 HydrophobicContact CB-CB 3.9Å; A154-Q162 HydrophobicContact CB-CG 3.73Å; A154-V163 HydrophobicContact CB-CG2 3.7Å
155A91.2Very high85.9Confident47 Ų4768.4 Ų68.439%0.38835%0.351SS..Hα-helixtrans-66-39.8175.900000112.1I151 L152 M153 E157 F158 V163I151-A155 WeakPolarHBondContact O-CB 3.25Å; I151-A155 PolarHBondContact O-N 2.93Å; L152-A155 WeakPolarHBondContact O-CB 3.43Å; L152-A155 PolarHBondContact O-N 2.77Å; M153-A155 VanDerWaalsContact C-N 3.27Å; M153-A155 PolarHBondContact O-N 3.42Å; A155-E157 VanDerWaalsContact C-N 3.29Å; A155-E157 PolarHBondContact O-N 3.08Å; A155-F158 PolarHBondContact O-N 3.11Å; A155-F158 VanDerWaalsContact O-N 3.1Å; A155-V163 HydrophobicContact CB-CG2 3.91Å
156F90.5Very high85.9Confident47 Ų4768.7 Ų68.721%0.20635%0.347CS..Hα-helixtrans-68.2-27.3174.8-69-52.5000113.1W107 L111 L127 H128 A131 L152 M153 F158W107-F156 HydrophobicContact CH2-CD2 4.2Å; W107-F156 AromaticContact CH2-CE2 3.74Å; W107-F156 HydrophobicContact CH2-CE2 3.74Å; W107-F156 HydrophobicContact CZ3-CE2 4.33Å; L111-F156 HydrophobicContact CD2-CE1 4.36Å; L111-F156 HydrophobicContact CD2-CE2 3.87Å; L111-F156 HydrophobicContact CD2-CZ 3.7Å; L127-F156 HydrophobicContact CD2-CD1 3.47Å; L127-F156 VanDerWaalsContact CD2-CD1 3.47Å; L127-F156 HydrophobicContact CD2-CE1 3.78Å; L127-F156 HydrophobicContact CG-CD1 3.69Å; L127-F156 HydrophobicContact CG-CE1 4.14Å; L127-F156 HydrophobicContact CG-CG 4.47Å; H128-F156 HydrophobicContact CB-CB 4.42Å; A131-F156 HydrophobicContact CB-CB 4.26Å; A131-F156 HydrophobicContact CB-CD2 3.52Å; A131-F156 HydrophobicContact CB-CE2 4.01Å; A131-F156 HydrophobicContact CB-CG 3.96Å; L152-F156 HydrophobicContact CB-CE2 4.29Å; L152-F156 WeakPolarHBondContact O-CD2 3.45Å; L152-F156 WeakPolarHBondContact O-CG 3.06Å; L152-F156 PolarHBondContact O-N 3.29Å; M153-F156 PolarHBondContact O-N 3.19Å; M153-F156 VanDerWaalsContact O-N 3.16Å; F156-F158 PolarHBondContact O-N 2.76Å
157E89.7Confident85.7Confident104 Ų10465.6 Ų65.649%0.48634%0.339SS..THydrogen-bonded Turntrans-78.8-4.2171.2-70.4178.2-147.100113.6H128 M153 A154 A155 D159H128-E157 HydrophobicContact CB-CG 4.02Å; H128-E157 VanDerWaalsContact CE1-CD 3.47Å; H128-E157 VanDerWaalsContact CE1-CG 3.49Å; H128-E157 WeakPolarHBondContact CE1-CG 3.49Å; H128-E157 IonicContact CE1-OE1 3.55Å; H128-E157 PolarHBondContact CE1-OE1 3.31Å; H128-E157 VanDerWaalsContact CG-CG 3.4Å; H128-E157 WeakPolarHBondContact ND1-CG 3.32Å; H128-E157 IonicContact ND1-OE1 2.83Å; H128-E157 PolarHBondContact ND1-OE1 3.42Å; H128-E157 IonicContact NE2-OE1 3.23Å; M153-E157 PolarHBondContact O-N 3.3Å; A154-E157 PolarHBondContact O-N 3.27Å; A155-E157 VanDerWaalsContact C-N 3.29Å; A155-E157 PolarHBondContact O-N 3.08Å; E157-D159 HydrophobicContact CB-CB 4.49Å; E157-D159 PolarHBondContact O-N 3.3Å
158F87.4Confident85.2Confident134 Ų13461.5 Ų61.559%0.58831%0.313SS*.THydrogen-bonded Turntrans58.622.5-170.1-62.3-90.3000113.6P124 A154 A155 F156 I160P124-F158 HydrophobicContact CB-CE2 3.87Å; P124-F158 HydrophobicContact CB-CZ 3.61Å; P124-F158 WeakPolarHBondContact O-CE2 3.21Å; A154-F158 PolarHBondContact O-N 2.99Å; A155-F158 PolarHBondContact O-N 3.11Å; A155-F158 VanDerWaalsContact O-N 3.1Å; F156-F158 PolarHBondContact O-N 2.76Å; F158-I160 PolarHBondContact O-N 3.18Å; F158-I160 VanDerWaalsContact O-N 3.12Å
159D89Confident84.2Confident62 Ų6266.6 Ų66.633%0.33233%0.331SS..  trans-85.583.2174.4-168.8-16.6000110.5A154 E157 H161 Q162 V163A154-D159 PolarHBondContact O-N 3.07Å; E157-D159 HydrophobicContact CB-CB 4.49Å; E157-D159 PolarHBondContact O-N 3.3Å; D159-H161 PolarHBondContact O-N 3.24Å; D159-H161 WeakPolarHBondContact OD1-CA 3.38Å; D159-H161 WeakPolarHBondContact OD1-CB 3.45Å; D159-H161 PolarHBondContact OD1-N 2.86Å; D159-Q162 HydrophobicContact CB-CB 4.11Å; D159-Q162 PolarHBondContact O-N 3.36Å; D159-Q162 PolarHBondContact OD1-N 3.01Å; D159-V163 WeakPolarHBondContact O-CG2 3.37Å; D159-V163 PolarHBondContact O-N 3.29Å
160I86.3Confident82.7Confident101 Ų10169.5 Ų69.552%0.51836%0.364SS..Hα-helixtrans-60.6-27.8176.9-169.159.7000112.6F158 I164F158-I160 PolarHBondContact O-N 3.18Å; F158-I160 VanDerWaalsContact O-N 3.12Å; I160-I164 HydrophobicContact CD1-CD1 4.19Å; I160-I164 HydrophobicContact CD1-CG1 4.24Å; I160-I164 HydrophobicContact CG1-CD1 3.87Å; I160-I164 HydrophobicContact CG1-CG1 4.37Å; I160-I164 WeakPolarHBondContact O-CD1 3.31Å; I160-I164 WeakPolarHBondContact O-CG1 3.41Å; I160-I164 PolarHBondContact O-N 3.28Å; I160-I164 VanDerWaalsContact O-N 3.1Å
161H82.9Confident81.4Confident146 Ų14667 Ų6768%0.67635%0.351SS*.Hα-helixtrans-70.7-43.6-179.7-68.2-70.9000110.8D159 I164 K165D159-H161 PolarHBondContact O-N 3.24Å; D159-H161 WeakPolarHBondContact OD1-CA 3.38Å; D159-H161 WeakPolarHBondContact OD1-CB 3.45Å; D159-H161 PolarHBondContact OD1-N 2.86Å; H161-I164 PolarHBondContact O-N 2.92Å; H161-K165 WeakPolarHBondContact O-CB 3.48Å; H161-K165 PolarHBondContact O-N 3.05Å
162Q84.2Confident80.4Confident60 Ų6070.4 Ų70.428%0.2837%0.369SS..Hα-helixtrans-68.8-40.8176.6-174.960.417.600111.3A154 D159 I164 K165 E166A154-Q162 HydrophobicContact CB-CB 3.9Å; A154-Q162 HydrophobicContact CB-CG 3.73Å; D159-Q162 HydrophobicContact CB-CB 4.11Å; D159-Q162 PolarHBondContact O-N 3.36Å; D159-Q162 PolarHBondContact OD1-N 3.01Å; Q162-I164 VanDerWaalsContact C-N 3.33Å; Q162-I164 PolarHBondContact O-N 3.28Å; Q162-K165 PolarHBondContact O-N 3.5Å; Q162-E166 HydrophobicContact CG-CG 4.47Å; Q162-E166 PolarHBondContact NE2-OE1 3.36Å; Q162-E166 WeakPolarHBondContact O-CG 3.42Å; Q162-E166 PolarHBondContact O-N 2.97Å
163V86.4Confident79.3Confident24 Ų2470.4 Ų70.415%0.14537%0.369CS..Hα-helixtrans-53.9-49.2173168.40000111.4I151 A154 A155 D159 E166 C167I151-V163 HydrophobicContact CG2-CG1 4.16Å; A154-V163 HydrophobicContact CB-CG2 3.7Å; A155-V163 HydrophobicContact CB-CG2 3.91Å; D159-V163 WeakPolarHBondContact O-CG2 3.37Å; D159-V163 PolarHBondContact O-N 3.29Å; V163-E166 PolarHBondContact O-N 3.06Å; V163-C167 WeakPolarHBondContact O-CB 3.37Å; V163-C167 PolarHBondContact O-N 3.47Å; V163-C167 PolarHBondContact O-SG 3.01Å
164I80.8Confident78.7Confident52 Ų5276.4 Ų76.427%0.26739%0.391SS..Hα-helixtrans-70.8-37.5-176.3-57.8163.7000111.2I160 H161 Q162 C167 S168 M173I160-I164 HydrophobicContact CD1-CD1 4.19Å; I160-I164 HydrophobicContact CD1-CG1 4.24Å; I160-I164 HydrophobicContact CG1-CD1 3.87Å; I160-I164 HydrophobicContact CG1-CG1 4.37Å; I160-I164 WeakPolarHBondContact O-CD1 3.31Å; I160-I164 WeakPolarHBondContact O-CG1 3.41Å; I160-I164 PolarHBondContact O-N 3.28Å; I160-I164 VanDerWaalsContact O-N 3.1Å; H161-I164 PolarHBondContact O-N 2.92Å; Q162-I164 VanDerWaalsContact C-N 3.33Å; Q162-I164 PolarHBondContact O-N 3.28Å; I164-C167 CarbonylContact O-C 3.53Å; I164-C167 PolarHBondContact O-N 3.1Å; I164-S168 WeakPolarHBondContact O-CB 3.2Å; I164-S168 PolarHBondContact O-N 3.03Å; I164-S168 PolarHBondContact O-OG 3.23Å; I164-M173 HydrophobicContact CB-CE 3.95Å; I164-M173 HydrophobicContact CB-SD 4.16Å; I164-M173 HydrophobicContact CD1-CE 3.53Å; I164-M173 HydrophobicContact CG1-CE 4.26Å; I164-M173 HydrophobicContact CG2-CE 3.34Å; I164-M173 HydrophobicContact CG2-CG 4.3Å; I164-M173 HydrophobicContact CG2-SD 3.2Å; I164-M173 WeakPolarHBondContact CG2-SD 3.38Å
165K78.3Confident78.4Confident113 Ų11376.6 Ų76.649%0.49139%0.391SS..Hα-helixtrans-60.7-44.1176.6-179.4-172.1167.6-159.70112.4H161 Q162 C167 S168H161-K165 WeakPolarHBondContact O-CB 3.48Å; H161-K165 PolarHBondContact O-N 3.05Å; Q162-K165 PolarHBondContact O-N 3.5Å; K165-C167 VanDerWaalsContact C-N 3.34Å; K165-S168 PolarHBondContact O-N 3.29Å; K165-S168 PolarHBondContact O-OG 2.94Å
166E78.8Confident77.9Confident61 Ų6178.1 Ų78.129%0.28539%0.389SS..Hα-helixtrans-70.2-33.6178.2-65.5-58.1139.200111.3I151 Q162 V163 S168I151-E166 HydrophobicContact CD1-CB 4.24Å; I151-E166 HydrophobicContact CG1-CB 3.44Å; I151-E166 VanDerWaalsContact CG1-CB 3.44Å; I151-E166 HydrophobicContact CG1-CG 4.47Å; Q162-E166 HydrophobicContact CG-CG 4.47Å; Q162-E166 PolarHBondContact NE2-OE1 3.36Å; Q162-E166 WeakPolarHBondContact O-CG 3.42Å; Q162-E166 PolarHBondContact O-N 2.97Å; V163-E166 PolarHBondContact O-N 3.06Å; E166-S168 VanDerWaalsContact C-N 3.33Å; E166-S168 PolarHBondContact O-N 3.26Å
167C77.2Confident77.5Confident62 Ų6280.2 Ų80.242%0.41940%0.401SS..Hα-helixtrans-69.9-24.4171.9-73.10000113.8V163 I164 K165 F169V163-C167 WeakPolarHBondContact O-CB 3.37Å; V163-C167 PolarHBondContact O-N 3.47Å; V163-C167 PolarHBondContact O-SG 3.01Å; I164-C167 CarbonylContact O-C 3.53Å; I164-C167 PolarHBondContact O-N 3.1Å; K165-C167 VanDerWaalsContact C-N 3.34Å; C167-F169 VanDerWaalsContact O-CD2 3.25Å; C167-F169 WeakPolarHBondContact O-CD2 3.19Å; C167-F169 PolarHBondContact O-N 3.27Å
168S70.7Confident77.5Confident8 Ų876.9 Ų76.96%0.05639%0.387CS..THydrogen-bonded Turntrans-85.719-174.666.40000114.7I164 K165 E166 G170 S171I164-S168 WeakPolarHBondContact O-CB 3.2Å; I164-S168 PolarHBondContact O-N 3.03Å; I164-S168 PolarHBondContact O-OG 3.23Å; K165-S168 PolarHBondContact O-N 3.29Å; K165-S168 PolarHBondContact O-OG 2.94Å; E166-S168 VanDerWaalsContact C-N 3.33Å; E166-S168 PolarHBondContact O-N 3.26Å; S168-G170 VanDerWaalsContact C-N 3.28Å; S168-G170 PolarHBondContact O-N 3.25Å; S168-G170 VanDerWaalsContact O-N 3.11Å; S168-S171 PolarHBondContact O-N 3.3Å; S168-S171 VanDerWaalsContact O-N 3.08Å; S168-S171 PolarHBondContact O-OG 3.1Å; S168-S171 PolarHBondContact OG-O 3.26Å
169F62.1Low77.5Confident198 Ų19871.2 Ų71.287%0.86836%0.363SS*.THydrogen-bonded Turntrans42.548.1172.1-70.4-82.8000114.1C167 S171C167-F169 VanDerWaalsContact O-CD2 3.25Å; C167-F169 WeakPolarHBondContact O-CD2 3.19Å; C167-F169 PolarHBondContact O-N 3.27Å; F169-S171 PolarHBondContact O-N 3.49Å
170G56.7Low77.3Confident71 Ų7173.7 Ų73.773%0.73237%0.372SS*.THydrogen-bonded Turntrans84.8-2172.400000116.1S168S168-G170 VanDerWaalsContact C-N 3.28Å; S168-G170 PolarHBondContact O-N 3.25Å; S168-G170 VanDerWaalsContact O-N 3.11Å
171S58.8Low77.5Confident11 Ų1174.7 Ų74.78%0.07737%0.37CS..SBendtrans-84.9145.4168.862.90000110.9S168 F169 M173S168-S171 PolarHBondContact O-N 3.3Å; S168-S171 VanDerWaalsContact O-N 3.08Å; S168-S171 PolarHBondContact O-OG 3.1Å; S168-S171 PolarHBondContact OG-O 3.26Å; F169-S171 PolarHBondContact O-N 3.49Å; S171-M173 PolarHBondContact O-N 3.28Å
172N66.9Low77.8Confident105 Ų10567.7 Ų67.756%0.56134%0.338SS*.  trans-55.3126.7170.8-179.3-11.4000108.5R174 E175 F176N172-R174 CarbonylContact O-C 3.6Å; N172-R174 PolarHBondContact O-N 3.47Å; N172-R174 PolarHBondContact OD1-N 2.99Å; N172-R174 VanDerWaalsContact OD1-N 3.15Å; N172-E175 HydrophobicContact CB-CB 4.06Å; N172-E175 CarbonylContact O-C 3.47Å; N172-E175 WeakPolarHBondContact O-CA 3.36Å; N172-E175 WeakPolarHBondContact O-CB 3.41Å; N172-E175 PolarHBondContact O-N 2.96Å; N172-F176 PolarHBondContact O-N 3.41Å
173M68.1Low78Confident50 Ų5066.7 Ų66.725%0.24634%0.337CS..Hα-helixtrans-46-40.2178.2167.749.9164.800112.5I164 S171 F176 L177I164-M173 HydrophobicContact CB-CE 3.95Å; I164-M173 HydrophobicContact CB-SD 4.16Å; I164-M173 HydrophobicContact CD1-CE 3.53Å; I164-M173 HydrophobicContact CG1-CE 4.26Å; I164-M173 HydrophobicContact CG2-CE 3.34Å; I164-M173 HydrophobicContact CG2-CG 4.3Å; I164-M173 HydrophobicContact CG2-SD 3.2Å; I164-M173 WeakPolarHBondContact CG2-SD 3.38Å; S171-M173 PolarHBondContact O-N 3.28Å; M173-F176 PolarHBondContact O-N 3.01Å; M173-L177 HydrophobicContact CE-CD1 3.5Å; M173-L177 VanDerWaalsContact CE-CD1 3.5Å; M173-L177 HydrophobicContact CE-CD2 4.29Å; M173-L177 HydrophobicContact CE-CG 3.98Å; M173-L177 WeakPolarHBondContact O-CG 3.35Å; M173-L177 PolarHBondContact O-N 3.26Å; M173-L177 VanDerWaalsContact O-N 3.11Å; M173-L177 HydrophobicContact SD-CD1 3.81Å; M173-L177 HydrophobicContact SD-CD2 4.37Å; M173-L177 HydrophobicContact SD-CG 3.77Å
174R76.8Confident78.1Confident145 Ų14567.5 Ų67.555%0.54735%0.351SS..Hα-helixtrans-62.6-44.6175.2-177.5177.4178.4-166.1-3.9112.1N172 L178 Y201N172-R174 CarbonylContact O-C 3.6Å; N172-R174 PolarHBondContact O-N 3.47Å; N172-R174 PolarHBondContact OD1-N 2.99Å; N172-R174 VanDerWaalsContact OD1-N 3.15Å; R174-L178 HydrophobicContact CG-CD1 3.95Å; R174-L178 HydrophobicContact CG-CG 4.49Å; R174-L178 WeakPolarHBondContact O-CB 3.38Å; R174-L178 WeakPolarHBondContact O-CD1 3.44Å; R174-L178 WeakPolarHBondContact O-CG 3.43Å; R174-L178 PolarHBondContact O-N 3.32Å; R174-L178 VanDerWaalsContact O-N 3.08Å; R174-Y201 VanDerWaalsContact NH2-CE1 3.3Å; R174-Y201 PolarHBondContact NH2-OH 3.27Å; R174-Y201 VanDerWaalsContact NH2-OH 3.11Å
175E82.9Confident78.4Confident7 Ų765.5 Ų65.53%0.03334%0.341CS..Hα-helixtrans-65.3-46.4178.9-173.3171.2-172.700111.1N172 L177 L178 L179 C202 E204 L205N172-E175 HydrophobicContact CB-CB 4.06Å; N172-E175 CarbonylContact O-C 3.47Å; N172-E175 WeakPolarHBondContact O-CA 3.36Å; N172-E175 WeakPolarHBondContact O-CB 3.41Å; N172-E175 PolarHBondContact O-N 2.96Å; E175-L177 PolarHBondContact O-N 3.37Å; E175-L178 PolarHBondContact O-N 3.27Å; E175-L178 VanDerWaalsContact O-N 3.12Å; E175-L179 HydrophobicContact CG-CD1 4.12Å; E175-L179 HydrophobicContact CG-CG 4.33Å; E175-L179 VanDerWaalsContact O-CG 3.27Å; E175-L179 WeakPolarHBondContact O-CG 3.34Å; E175-L179 PolarHBondContact O-N 2.98Å; E175-C202 HydrophobicContact CG-CB 3.76Å; E175-E204 WeakPolarHBondContact OE1-CA 3.34Å; E175-E204 PolarHBondContact OE1-N 3.06Å; E175-L205 PolarHBondContact OE1-N 3.45Å
176F82.3Confident78.8Confident79 Ų7961 Ų6135%0.34632%0.321SS..Hα-helixtrans-52.7-52.1175.6177.5-99.1000112.4N172 M173 L178 L179 E180N172-F176 PolarHBondContact O-N 3.41Å; M173-F176 PolarHBondContact O-N 3.01Å; F176-L178 VanDerWaalsContact C-N 3.3Å; F176-L178 PolarHBondContact O-N 3.49Å; F176-L179 PolarHBondContact O-N 3.43Å; F176-E180 HydrophobicContact CE1-CG 4.11Å; F176-E180 HydrophobicContact CE2-CG 4.28Å; F176-E180 HydrophobicContact CZ-CG 3.92Å; F176-E180 PolarHBondContact O-N 3.06Å
177L82.4Confident78.9Confident91 Ų9162.4 Ų62.448%0.47634%0.343SS..Hα-helixtrans-63.1-36.9179.2-69.4179.3000112.7M173 E175 Y181M173-L177 HydrophobicContact CE-CD1 3.5Å; M173-L177 VanDerWaalsContact CE-CD1 3.5Å; M173-L177 HydrophobicContact CE-CD2 4.29Å; M173-L177 HydrophobicContact CE-CG 3.98Å; M173-L177 WeakPolarHBondContact O-CG 3.35Å; M173-L177 PolarHBondContact O-N 3.26Å; M173-L177 VanDerWaalsContact O-N 3.11Å; M173-L177 HydrophobicContact SD-CD1 3.81Å; M173-L177 HydrophobicContact SD-CD2 4.37Å; M173-L177 HydrophobicContact SD-CG 3.77Å; E175-L177 PolarHBondContact O-N 3.37Å; L177-Y181 VanDerWaalsContact O-CB 3.29Å; L177-Y181 WeakPolarHBondContact O-CB 3.38Å; L177-Y181 PolarHBondContact O-N 3.03Å
178L87.7Confident79.3Confident34 Ų3464.7 Ų64.718%0.17835%0.347CS..Hα-helixtrans-67.9-38.3176.9-71171.5000111.6R174 E175 F176 Y181 A182 Y198 Y201R174-L178 HydrophobicContact CG-CD1 3.95Å; R174-L178 HydrophobicContact CG-CG 4.49Å; R174-L178 WeakPolarHBondContact O-CB 3.38Å; R174-L178 WeakPolarHBondContact O-CD1 3.44Å; R174-L178 WeakPolarHBondContact O-CG 3.43Å; R174-L178 PolarHBondContact O-N 3.32Å; R174-L178 VanDerWaalsContact O-N 3.08Å; E175-L178 PolarHBondContact O-N 3.27Å; E175-L178 VanDerWaalsContact O-N 3.12Å; F176-L178 VanDerWaalsContact C-N 3.3Å; F176-L178 PolarHBondContact O-N 3.49Å; L178-Y181 PolarHBondContact O-N 3.37Å; L178-A182 WeakPolarHBondContact O-CB 3.42Å; L178-A182 PolarHBondContact O-N 3.31Å; L178-Y198 HydrophobicContact CD2-CD1 3.79Å; L178-Y198 HydrophobicContact CD2-CE1 3.86Å; L178-Y201 HydrophobicContact CD1-CD1 4Å; L178-Y201 HydrophobicContact CD1-CE1 4.44Å
179L87.8Confident79.7Confident15 Ų1571.7 Ų71.78%0.07938%0.379CS..Hα-helixtrans-64.6-45.6176.3-67.2170.9000111.7E175 F176 A182 S183 F199 C202 L205E175-L179 HydrophobicContact CG-CD1 4.12Å; E175-L179 HydrophobicContact CG-CG 4.33Å; E175-L179 VanDerWaalsContact O-CG 3.27Å; E175-L179 WeakPolarHBondContact O-CG 3.34Å; E175-L179 PolarHBondContact O-N 2.98Å; F176-L179 PolarHBondContact O-N 3.43Å; L179-A182 PolarHBondContact O-N 3.06Å; L179-S183 WeakPolarHBondContact O-CB 3.39Å; L179-S183 PolarHBondContact O-N 3.4Å; L179-F199 HydrophobicContact CD2-CD1 3.63Å; L179-F199 HydrophobicContact CD2-CE1 3.85Å; L179-C202 HydrophobicContact CD2-CB 3.85Å; L179-C202 HydrophobicContact CG-CB 4.44Å; L179-L205 HydrophobicContact CD1-CB 3.62Å; L179-L205 HydrophobicContact CD1-CD1 4.12Å
180E86.3Confident80.7Confident114 Ų11465.8 Ų65.853%0.53336%0.362SS..Hα-helixtrans-62.8-44176.5-74-60.1129.500111.4F176 S183 G184F176-E180 HydrophobicContact CE1-CG 4.11Å; F176-E180 HydrophobicContact CE2-CG 4.28Å; F176-E180 HydrophobicContact CZ-CG 3.92Å; F176-E180 PolarHBondContact O-N 3.06Å; E180-S183 WeakPolarHBondContact O-CB 3.49Å; E180-S183 PolarHBondContact O-N 3.21Å; E180-G184 PolarHBondContact O-N 3.45Å
181Y88.8Confident82.1Confident122 Ų12265.7 Ų65.748%0.47835%0.345SS..Hα-helixtrans-63.6-44.1175.9-176.1-114.4000112.1L177 L178 S183 G184 L185 Y198L177-Y181 VanDerWaalsContact O-CB 3.29Å; L177-Y181 WeakPolarHBondContact O-CB 3.38Å; L177-Y181 PolarHBondContact O-N 3.03Å; L178-Y181 PolarHBondContact O-N 3.37Å; Y181-S183 VanDerWaalsContact C-N 3.33Å; Y181-S183 PolarHBondContact O-N 3.13Å; Y181-G184 PolarHBondContact O-N 3.19Å; Y181-L185 HydrophobicContact CD1-CD1 3.92Å; Y181-L185 HydrophobicContact CD1-CG 4.41Å; Y181-L185 HydrophobicContact CE1-CD1 3.55Å; Y181-L185 HydrophobicContact CE1-CD2 4.44Å; Y181-L185 HydrophobicContact CE1-CG 4.1Å; Y181-L185 WeakPolarHBondContact O-CG 3.33Å; Y181-L185 PolarHBondContact O-N 3.04Å; Y181-Y198 HydrophobicContact CD1-CD1 4.48Å; Y181-Y198 HydrophobicContact CD1-CE1 4.26Å; Y181-Y198 HydrophobicContact CD1-CE2 4.34Å; Y181-Y198 HydrophobicContact CE1-CD2 4.47Å; Y181-Y198 HydrophobicContact CE1-CE1 4.35Å; Y181-Y198 AromaticContact CE1-CE2 3.91Å; Y181-Y198 HydrophobicContact CE1-CE2 3.91Å; Y181-Y198 AromaticContact CE1-CZ 3.84Å
182A90.8Very high83.5Confident0 Ų065.8 Ų65.80%034%0.343CS..Hα-helixtrans-61.4-40.8176.700000112L178 L179 L185 F186 F199L178-A182 WeakPolarHBondContact O-CB 3.42Å; L178-A182 PolarHBondContact O-N 3.31Å; L179-A182 PolarHBondContact O-N 3.06Å; A182-L185 PolarHBondContact O-N 2.78Å; A182-F186 WeakPolarHBondContact O-CB 3.24Å; A182-F186 PolarHBondContact O-N 3.18Å; A182-F199 HydrophobicContact CB-CD1 3.8Å; A182-F199 HydrophobicContact CB-CD2 4.16Å; A182-F199 HydrophobicContact CB-CE1 3.56Å; A182-F199 HydrophobicContact CB-CE2 3.98Å; A182-F199 HydrophobicContact CB-CG 4.08Å; A182-F199 HydrophobicContact CB-CZ 3.66Å
183S87.9Confident84.4Confident38 Ų3864.6 Ų64.627%0.26633%0.334SS..Hα-helixtrans-59.9-45.2173.6-179.10000111.7L179 E180 Y181 L185 F186 A187 H213L179-S183 WeakPolarHBondContact O-CB 3.39Å; L179-S183 PolarHBondContact O-N 3.4Å; E180-S183 WeakPolarHBondContact O-CB 3.49Å; E180-S183 PolarHBondContact O-N 3.21Å; Y181-S183 VanDerWaalsContact C-N 3.33Å; Y181-S183 PolarHBondContact O-N 3.13Å; S183-L185 PolarHBondContact O-N 3.4Å; S183-F186 WeakPolarHBondContact O-CB 3.26Å; S183-F186 PolarHBondContact O-N 3.15Å; S183-F186 VanDerWaalsContact O-N 3.14Å; S183-A187 PolarHBondContact O-N 3.06Å; S183-H213 PolarHBondContact OG-NE2 2.99Å; S183-H213 VanDerWaalsContact OG-NE2 3.16Å
184G87.4Confident85.4Confident41 Ų4165.6 Ų65.642%0.42334%0.34SS..Hα-helixtrans-59.8-42.9173.400000113.2E180 Y181 F186 A187E180-G184 PolarHBondContact O-N 3.45Å; Y181-G184 PolarHBondContact O-N 3.19Å; G184-F186 VanDerWaalsContact C-N 3.3Å; G184-F186 PolarHBondContact O-N 3.38Å; G184-A187 PolarHBondContact O-N 3.15Å
185L88.5Confident86Confident11 Ų1158.7 Ų58.76%0.05831%0.314CS..Hα-helixtrans-63.7-35.6174.5-68.3175.6000112.2Y181 A182 S183 A187 H188 L191 W192 L194 Y198Y181-L185 HydrophobicContact CD1-CD1 3.92Å; Y181-L185 HydrophobicContact CD1-CG 4.41Å; Y181-L185 HydrophobicContact CE1-CD1 3.55Å; Y181-L185 HydrophobicContact CE1-CD2 4.44Å; Y181-L185 HydrophobicContact CE1-CG 4.1Å; Y181-L185 WeakPolarHBondContact O-CG 3.33Å; Y181-L185 PolarHBondContact O-N 3.04Å; A182-L185 PolarHBondContact O-N 2.78Å; S183-L185 PolarHBondContact O-N 3.4Å; L185-A187 VanDerWaalsContact C-N 3.29Å; L185-A187 PolarHBondContact O-N 3.37Å; L185-H188 PolarHBondContact O-N 3.49Å; L185-H188 VanDerWaalsContact O-N 3.15Å; L185-L191 HydrophobicContact CB-CB 4.42Å; L185-L191 HydrophobicContact CD2-CB 4.09Å; L185-L191 HydrophobicContact CD2-CD1 3.87Å; L185-L191 CarbonylContact O-C 3.59Å; L185-W192 PolarHBondContact O-N 3.46Å; L185-L194 HydrophobicContact CD1-CD2 4.12Å; L185-L194 HydrophobicContact CD1-CG 4.14Å; L185-Y198 HydrophobicContact CD1-CD2 3.61Å; L185-Y198 HydrophobicContact CD1-CE2 3.81Å
186F85.1Confident86.3Confident19 Ų1958.4 Ų58.48%0.08331%0.313CS..Hα-helixtrans-64.4-31.2178.7-115.3-99.7000113.6A182 S183 G184 H188 W192 V196 F199 L210 H213 I217A182-F186 WeakPolarHBondContact O-CB 3.24Å; A182-F186 PolarHBondContact O-N 3.18Å; S183-F186 WeakPolarHBondContact O-CB 3.26Å; S183-F186 PolarHBondContact O-N 3.15Å; S183-F186 VanDerWaalsContact O-N 3.14Å; G184-F186 VanDerWaalsContact C-N 3.3Å; G184-F186 PolarHBondContact O-N 3.38Å; F186-H188 PolarHBondContact O-N 3.37Å; F186-W192 HydrophobicContact CD1-CB 4.48Å; F186-W192 WeakPolarHBondContact CE2-O 3.34Å; F186-W192 HydrophobicContact CG-CB 4.47Å; F186-V196 HydrophobicContact CE2-CB 4.38Å; F186-V196 HydrophobicContact CE2-CG2 3.62Å; F186-V196 HydrophobicContact CZ-CG2 3.55Å; F186-F199 AromaticContact CD2-CD2 3.91Å; F186-F199 HydrophobicContact CD2-CD2 3.91Å; F186-F199 AromaticContact CD2-CE2 3.38Å; F186-F199 HydrophobicContact CD2-CE2 3.38Å; F186-F199 HydrophobicContact CD2-CZ 4.45Å; F186-F199 AromaticContact CE2-CD2 3.51Å; F186-F199 HydrophobicContact CE2-CD2 3.51Å; F186-F199 AromaticContact CE2-CE2 3.43Å; F186-F199 HydrophobicContact CE2-CE2 3.43Å; F186-F199 VanDerWaalsContact CE2-CE2 3.43Å; F186-F199 HydrophobicContact CG-CE2 4.13Å; F186-F199 HydrophobicContact CZ-CD2 4.3Å; F186-F199 HydrophobicContact CZ-CE2 4.22Å; F186-L210 HydrophobicContact CE2-CD1 4.1Å; F186-L210 HydrophobicContact CZ-CD1 3.64Å; F186-H213 HydrophobicContact CD1-CB 3.73Å; F186-H213 HydrophobicContact CE1-CB 3.79Å; F186-H213 HydrophobicContact CG-CB 4.22Å; F186-H213 HydrophobicContact CZ-CB 4.38Å; F186-I217 HydrophobicContact CD1-CD1 4.33Å; F186-I217 HydrophobicContact CD1-CG1 4.16Å; F186-I217 HydrophobicContact CE1-CD1 3.64Å; F186-I217 HydrophobicContact CE1-CG1 3.86Å; F186-I217 HydrophobicContact CZ-CD1 4.4Å
187A82.4Confident86.6Confident90 Ų9059.1 Ų59.174%0.74432%0.32SS*.Hα-helixtrans-66.2-26175.200000112.6S183 G184 L185S183-A187 PolarHBondContact O-N 3.06Å; G184-A187 PolarHBondContact O-N 3.15Å; L185-A187 VanDerWaalsContact C-N 3.29Å; L185-A187 PolarHBondContact O-N 3.37Å
188H84.2Confident87Confident110 Ų11058.3 Ų58.351%0.50931%0.311SS..SBendtrans-84.8132.4-179.5-78.9-76.9000112.8L185 F186 S190 L191 W192L185-H188 PolarHBondContact O-N 3.49Å; L185-H188 VanDerWaalsContact O-N 3.15Å; F186-H188 PolarHBondContact O-N 3.37Å; H188-S190 VanDerWaalsContact C-N 3.27Å; H188-S190 PolarHBondContact O-N 3.43Å; H188-S190 VanDerWaalsContact O-N 3.14Å; H188-L191 HydrophobicContact CB-CB 4.02Å; H188-L191 HydrophobicContact CB-CD1 4.11Å; H188-L191 HydrophobicContact CB-CG 4.25Å; H188-L191 PolarHBondContact O-N 2.97Å; H188-W192 PolarHBondContact O-N 2.96Å
189H80.1Confident87.1Confident154 Ų15456.8 Ų56.871%0.71330%0.303SS*.THydrogen-bonded Turntrans-61.8-26-172.365.881.2000115.6W192H189-W192 VanDerWaalsContact O-CD1 3.25Å
190S83.6Confident87.1Confident74 Ų7459.8 Ų59.852%0.51732%0.32SS..THydrogen-bonded Turntrans-103-23.7-179.550.30000113.4H188H188-S190 VanDerWaalsContact C-N 3.27Å; H188-S190 PolarHBondContact O-N 3.43Å; H188-S190 VanDerWaalsContact O-N 3.14Å
191L86.3Confident87.2Confident70 Ų7061.4 Ų61.437%0.36632%0.322SS..THydrogen-bonded Turntrans-98.3-9.1-170.7-60.8175.7000113.8L185 H188 Q193 L194 G195L185-L191 HydrophobicContact CB-CB 4.42Å; L185-L191 HydrophobicContact CD2-CB 4.09Å; L185-L191 HydrophobicContact CD2-CD1 3.87Å; L185-L191 CarbonylContact O-C 3.59Å; H188-L191 HydrophobicContact CB-CB 4.02Å; H188-L191 HydrophobicContact CB-CD1 4.11Å; H188-L191 HydrophobicContact CB-CG 4.25Å; H188-L191 PolarHBondContact O-N 2.97Å; L191-Q193 PolarHBondContact O-N 3.39Å; L191-L194 WeakPolarHBondContact O-CA 3.33Å; L191-L194 WeakPolarHBondContact O-CB 3.38Å; L191-L194 PolarHBondContact O-N 2.77Å; L191-G195 PolarHBondContact O-N 2.9Å
192W86.5Confident87Confident12 Ų1256 Ų565%0.04530%0.302CS..Hα-helixtrans-53.7-31.2-179.871.5-85.8000113.8L185 F186 H188 H189 G195 V196 I217 K224 K227 V228 I231L185-W192 PolarHBondContact O-N 3.46Å; F186-W192 HydrophobicContact CD1-CB 4.48Å; F186-W192 WeakPolarHBondContact CE2-O 3.34Å; F186-W192 HydrophobicContact CG-CB 4.47Å; H188-W192 PolarHBondContact O-N 2.96Å; H189-W192 VanDerWaalsContact O-CD1 3.25Å; W192-G195 PolarHBondContact O-N 3.21Å; W192-V196 HydrophobicContact CE3-CG2 4.18Å; W192-V196 HydrophobicContact CZ3-CG2 4.34Å; W192-V196 WeakPolarHBondContact O-CG2 3.28Å; W192-V196 PolarHBondContact O-N 2.93Å; W192-V196 VanDerWaalsContact O-N 3.08Å; W192-I217 HydrophobicContact CD2-CD1 4.16Å; W192-I217 HydrophobicContact CE3-CD1 3.6Å; W192-I217 HydrophobicContact CZ3-CD1 3.97Å; W192-K224 HydrophobicContact CZ2-CG 4.32Å; W192-K227 HydrophobicContact CH2-CB 4.44Å; W192-V228 HydrophobicContact CH2-CG2 3.55Å; W192-V228 HydrophobicContact CZ2-CG2 4.21Å; W192-V228 HydrophobicContact CZ3-CG2 3.88Å; W192-I231 HydrophobicContact CH2-CD1 3.75Å; W192-I231 HydrophobicContact CZ3-CD1 3.61Å
193Q87.1Confident86.5Confident80 Ų8061.5 Ų61.537%0.37434%0.338SS..Hα-helixtrans-64.4-43.1176.1-63.8-169.9-2500111.8L191 G195 V196 D197L191-Q193 PolarHBondContact O-N 3.39Å; Q193-G195 VanDerWaalsContact C-N 3.28Å; Q193-G195 PolarHBondContact O-N 2.89Å; Q193-V196 WeakPolarHBondContact O-CB 3.48Å; Q193-V196 PolarHBondContact O-N 3.5Å; Q193-V196 VanDerWaalsContact O-N 3.14Å; Q193-D197 PolarHBondContact O-N 3.02Å
194L89.1Confident86.1Confident72 Ų7266 Ų6638%0.37736%0.355SS..Hα-helixtrans-64.7-37.7174.7-176.365.2000110.5L185 L191 V196 D197 Y198L185-L194 HydrophobicContact CD1-CD2 4.12Å; L185-L194 HydrophobicContact CD1-CG 4.14Å; L191-L194 WeakPolarHBondContact O-CA 3.33Å; L191-L194 WeakPolarHBondContact O-CB 3.38Å; L191-L194 PolarHBondContact O-N 2.77Å; L194-V196 PolarHBondContact O-N 3.23Å; L194-D197 PolarHBondContact O-N 2.99Å; L194-D197 VanDerWaalsContact O-N 3.14Å; L194-Y198 HydrophobicContact CD1-CD2 4.34Å; L194-Y198 HydrophobicContact CD1-CE2 3.99Å; L194-Y198 HydrophobicContact CD2-CE2 4.11Å; L194-Y198 HydrophobicContact CG-CD2 3.96Å; L194-Y198 HydrophobicContact CG-CE2 3.75Å; L194-Y198 VanDerWaalsContact O-CD2 3.28Å; L194-Y198 WeakPolarHBondContact O-CD2 3.5Å; L194-Y198 PolarHBondContact O-N 2.99Å; L194-Y198 VanDerWaalsContact O-N 3.08Å
195G88.9Confident85.9Confident0 Ų067.7 Ų67.70%035%0.353CS..Hα-helixtrans-57.9-35.317300000113.2L191 W192 Q193 Y198 F199L191-G195 PolarHBondContact O-N 2.9Å; W192-G195 PolarHBondContact O-N 3.21Å; Q193-G195 VanDerWaalsContact C-N 3.28Å; Q193-G195 PolarHBondContact O-N 2.89Å; G195-Y198 PolarHBondContact O-N 3.47Å; G195-F199 WeakPolarHBondContact O-CD2 3.2Å; G195-F199 PolarHBondContact O-N 3.26Å
196V89.6Confident85.8Confident1 Ų167.2 Ų67.21%0.00635%0.351CS..Hα-helixtrans-63.6-45.3174.91780000110.4F186 W192 Q193 L194 Y198 F199 D200 L210 I231F186-V196 HydrophobicContact CE2-CB 4.38Å; F186-V196 HydrophobicContact CE2-CG2 3.62Å; F186-V196 HydrophobicContact CZ-CG2 3.55Å; W192-V196 HydrophobicContact CE3-CG2 4.18Å; W192-V196 HydrophobicContact CZ3-CG2 4.34Å; W192-V196 WeakPolarHBondContact O-CG2 3.28Å; W192-V196 PolarHBondContact O-N 2.93Å; W192-V196 VanDerWaalsContact O-N 3.08Å; Q193-V196 WeakPolarHBondContact O-CB 3.48Å; Q193-V196 PolarHBondContact O-N 3.5Å; Q193-V196 VanDerWaalsContact O-N 3.14Å; L194-V196 PolarHBondContact O-N 3.23Å; V196-Y198 VanDerWaalsContact C-N 3.27Å; V196-Y198 PolarHBondContact O-N 2.75Å; V196-F199 PolarHBondContact O-N 2.95Å; V196-F199 VanDerWaalsContact O-N 3.13Å; V196-D200 PolarHBondContact O-N 3.47Å; V196-L210 HydrophobicContact CB-CD1 4.33Å; V196-L210 HydrophobicContact CG1-CD1 4.06Å; V196-L210 HydrophobicContact CG1-CD2 4.13Å; V196-L210 HydrophobicContact CG2-CD1 3.93Å; V196-I231 HydrophobicContact CG1-CG2 3.85Å; V196-I231 HydrophobicContact CG2-CG2 4.37Å
197D89Confident85.9Confident94 Ų9473.6 Ų73.650%0.50337%0.374SS..Hα-helixtrans-63.7-35-179.7-60.2-29.6000111.6Q193 L194 D200 Y201Q193-D197 PolarHBondContact O-N 3.02Å; L194-D197 PolarHBondContact O-N 2.99Å; L194-D197 VanDerWaalsContact O-N 3.14Å; D197-D200 PolarHBondContact O-N 2.89Å; D197-Y201 PolarHBondContact O-N 3.37Å
198Y89.9Confident86Confident73 Ų7373.2 Ų73.229%0.28636%0.362SS..Hα-helixtrans-67.9-39.1172.9-84.5-77.9000112.8L178 Y181 L185 L194 G195 V196 D200 Y201 C202L178-Y198 HydrophobicContact CD2-CD1 3.79Å; L178-Y198 HydrophobicContact CD2-CE1 3.86Å; Y181-Y198 HydrophobicContact CD1-CD1 4.48Å; Y181-Y198 HydrophobicContact CD1-CE1 4.26Å; Y181-Y198 HydrophobicContact CD1-CE2 4.34Å; Y181-Y198 HydrophobicContact CE1-CD2 4.47Å; Y181-Y198 HydrophobicContact CE1-CE1 4.35Å; Y181-Y198 AromaticContact CE1-CE2 3.91Å; Y181-Y198 HydrophobicContact CE1-CE2 3.91Å; Y181-Y198 AromaticContact CE1-CZ 3.84Å; L185-Y198 HydrophobicContact CD1-CD2 3.61Å; L185-Y198 HydrophobicContact CD1-CE2 3.81Å; L194-Y198 HydrophobicContact CD1-CD2 4.34Å; L194-Y198 HydrophobicContact CD1-CE2 3.99Å; L194-Y198 HydrophobicContact CD2-CE2 4.11Å; L194-Y198 HydrophobicContact CG-CD2 3.96Å; L194-Y198 HydrophobicContact CG-CE2 3.75Å; L194-Y198 VanDerWaalsContact O-CD2 3.28Å; L194-Y198 WeakPolarHBondContact O-CD2 3.5Å; L194-Y198 PolarHBondContact O-N 2.99Å; L194-Y198 VanDerWaalsContact O-N 3.08Å; G195-Y198 PolarHBondContact O-N 3.47Å; V196-Y198 VanDerWaalsContact C-N 3.27Å; V196-Y198 PolarHBondContact O-N 2.75Å; Y198-D200 VanDerWaalsContact C-N 3.34Å; Y198-Y201 PolarHBondContact O-N 3.47Å; Y198-C202 PolarHBondContact O-SG 3.26Å
199F89.3Confident86.1Confident2 Ų269.1 Ų69.11%0.00935%0.346CS..Hα-helixtrans-64.5-37.4174-74.5-51.3000112.3L179 A182 F186 G195 V196 Y201 C202 G206 L210 H213L179-F199 HydrophobicContact CD2-CD1 3.63Å; L179-F199 HydrophobicContact CD2-CE1 3.85Å; A182-F199 HydrophobicContact CB-CD1 3.8Å; A182-F199 HydrophobicContact CB-CD2 4.16Å; A182-F199 HydrophobicContact CB-CE1 3.56Å; A182-F199 HydrophobicContact CB-CE2 3.98Å; A182-F199 HydrophobicContact CB-CG 4.08Å; A182-F199 HydrophobicContact CB-CZ 3.66Å; F186-F199 AromaticContact CD2-CD2 3.91Å; F186-F199 HydrophobicContact CD2-CD2 3.91Å; F186-F199 AromaticContact CD2-CE2 3.38Å; F186-F199 HydrophobicContact CD2-CE2 3.38Å; F186-F199 HydrophobicContact CD2-CZ 4.45Å; F186-F199 AromaticContact CE2-CD2 3.51Å; F186-F199 HydrophobicContact CE2-CD2 3.51Å; F186-F199 AromaticContact CE2-CE2 3.43Å; F186-F199 HydrophobicContact CE2-CE2 3.43Å; F186-F199 VanDerWaalsContact CE2-CE2 3.43Å; F186-F199 HydrophobicContact CG-CE2 4.13Å; F186-F199 HydrophobicContact CZ-CD2 4.3Å; F186-F199 HydrophobicContact CZ-CE2 4.22Å; G195-F199 WeakPolarHBondContact O-CD2 3.2Å; G195-F199 PolarHBondContact O-N 3.26Å; V196-F199 PolarHBondContact O-N 2.95Å; V196-F199 VanDerWaalsContact O-N 3.13Å; F199-Y201 PolarHBondContact O-N 3.31Å; F199-C202 WeakPolarHBondContact O-CB 3.45Å; F199-C202 PolarHBondContact O-N 3.17Å; F199-C202 VanDerWaalsContact O-N 3.14Å; F199-G206 VanDerWaalsContact O-CA 3.24Å; F199-G206 WeakPolarHBondContact O-CA 3.27Å; F199-L210 HydrophobicContact CB-CB 4.03Å; F199-L210 HydrophobicContact CD2-CB 4.23Å; F199-L210 HydrophobicContact CD2-CD1 3.99Å; F199-L210 HydrophobicContact CG-CB 4.24Å; F199-H213 HydrophobicContact CE2-CB 4.3Å; F199-H213 AromaticContact CZ-ND1 3.95Å
200D88.3Confident86.6Confident79 Ų7962 Ų6242%0.42231%0.314SS..Hα-helixtrans-66.3-27.1176.5-70-25.7000113.1V196 D197 Y198 C202 R235V196-D200 PolarHBondContact O-N 3.47Å; D197-D200 PolarHBondContact O-N 2.89Å; Y198-D200 VanDerWaalsContact C-N 3.34Å; D200-C202 PolarHBondContact O-N 2.95Å; D200-R235 VanDerWaalsContact CG-NE 3.27Å; D200-R235 WeakPolarHBondContact OD1-CD 3.48Å; D200-R235 IonicContact OD1-CZ 3.96Å; D200-R235 IonicContact OD1-NE 2.93Å; D200-R235 PolarHBondContact OD1-NE 3.38Å; D200-R235 IonicContact OD2-CZ 3.09Å; D200-R235 IonicContact OD2-NE 2.8Å; D200-R235 PolarHBondContact OD2-NE 2.92Å; D200-R235 IonicContact OD2-NH2 2.62Å; D200-R235 PolarHBondContact OD2-NH2 2.92Å
201Y87.6Confident86.8Confident148 Ų14860.8 Ų60.858%0.5830%0.3SS*.THydrogen-bonded Turntrans-75.4-13176.8-163.2-95.2000112.8R174 L178 D197 Y198 F199R174-Y201 VanDerWaalsContact NH2-CE1 3.3Å; R174-Y201 PolarHBondContact NH2-OH 3.27Å; R174-Y201 VanDerWaalsContact NH2-OH 3.11Å; L178-Y201 HydrophobicContact CD1-CD1 4Å; L178-Y201 HydrophobicContact CD1-CE1 4.44Å; D197-Y201 PolarHBondContact O-N 3.37Å; Y198-Y201 PolarHBondContact O-N 3.47Å; F199-Y201 PolarHBondContact O-N 3.31Å
202C85.5Confident86.8Confident8 Ų862.3 Ų62.35%0.05431%0.307CS..  trans-91.6114.1-179.3-63.60000110.7E175 L179 Y198 F199 D200 G206E175-C202 HydrophobicContact CG-CB 3.76Å; L179-C202 HydrophobicContact CD2-CB 3.85Å; L179-C202 HydrophobicContact CG-CB 4.44Å; Y198-C202 PolarHBondContact O-SG 3.26Å; F199-C202 WeakPolarHBondContact O-CB 3.45Å; F199-C202 PolarHBondContact O-N 3.17Å; F199-C202 VanDerWaalsContact O-N 3.14Å; D200-C202 PolarHBondContact O-N 2.95Å; C202-G206 WeakPolarHBondContact O-CA 3.4Å
203P80.6Confident86.8Confident116 Ų11663.5 Ų63.575%0.75331%0.313SS*.SBendtrans-76-31.1-168.228.4-35.7000115.6
204E79.9Confident86.7Confident133 Ų13359.8 Ų59.862%0.62130%0.296SS*.SBendtrans-99.3-54.1-172.2-60-155153.500112.2E175E175-E204 WeakPolarHBondContact OE1-CA 3.34Å; E175-E204 PolarHBondContact OE1-N 3.06Å
205L83Confident86.3Confident76 Ų7661.1 Ų61.140%0.39830%0.301SS..SBendtrans-108.3-7.4-171.4-66.5174.4000113.1E175 L179 R207 V208 S209E175-L205 PolarHBondContact OE1-N 3.45Å; L179-L205 HydrophobicContact CD1-CB 3.62Å; L179-L205 HydrophobicContact CD1-CD1 4.12Å; L205-R207 PolarHBondContact O-N 3.22Å; L205-V208 PolarHBondContact O-N 3.12Å; L205-S209 VanDerWaalsContact O-CB 3.26Å; L205-S209 WeakPolarHBondContact O-CB 3.34Å; L205-S209 PolarHBondContact O-N 3.12Å; L205-S209 PolarHBondContact O-OG 2.92Å
206G86.1Confident85.9Confident0 Ų070.2 Ų70.20%034%0.335CS..Hα-helixtrans-54.3-49.2-177.600000113.7F199 C202 S209 L210F199-G206 VanDerWaalsContact O-CA 3.24Å; F199-G206 WeakPolarHBondContact O-CA 3.27Å; C202-G206 WeakPolarHBondContact O-CA 3.4Å; G206-S209 PolarHBondContact O-N 3.12Å; G206-L210 WeakPolarHBondContact O-CB 3.43Å; G206-L210 PolarHBondContact O-N 2.74Å
207R86.1Confident85.5Confident153 Ų15370.8 Ų70.858%0.57734%0.338SS*.Hα-helixtrans-63.6-51.6-178.6-177.2177.9176.3173.79.1112.6L205 S209 L210 E211L205-R207 PolarHBondContact O-N 3.22Å; R207-S209 VanDerWaalsContact C-N 3.26Å; R207-S209 PolarHBondContact O-N 2.95Å; R207-L210 PolarHBondContact O-N 2.88Å; R207-E211 IonicContact CZ-OE1 3.47Å; R207-E211 IonicContact NE-OE1 2.63Å; R207-E211 PolarHBondContact NE-OE1 3.37Å; R207-E211 IonicContact NH2-OE1 3.11Å; R207-E211 WeakPolarHBondContact O-CG 3.33Å; R207-E211 PolarHBondContact O-N 3.06Å
208V86.3Confident84.9Confident82 Ų8269.8 Ų69.850%0.49734%0.337SS..Hα-helixtrans-61.6-39.9-179.3-179.70000110.3L205 E211 L212L205-V208 PolarHBondContact O-N 3.12Å; V208-E211 PolarHBondContact O-N 3.37Å; V208-L212 HydrophobicContact CG1-CD1 4.47Å; V208-L212 WeakPolarHBondContact O-CG 3.34Å; V208-L212 PolarHBondContact O-N 3.11Å
209S86.4Confident84.4Confident25 Ų2567.5 Ų67.518%0.17533%0.329CS..Hα-helixtrans-64-44.9176.5-58.70000111.7L205 G206 R207 E211 L212 H213L205-S209 VanDerWaalsContact O-CB 3.26Å; L205-S209 WeakPolarHBondContact O-CB 3.34Å; L205-S209 PolarHBondContact O-N 3.12Å; L205-S209 PolarHBondContact O-OG 2.92Å; G206-S209 PolarHBondContact O-N 3.12Å; R207-S209 VanDerWaalsContact C-N 3.26Å; R207-S209 PolarHBondContact O-N 2.95Å; S209-E211 VanDerWaalsContact C-N 3.33Å; S209-E211 PolarHBondContact O-N 2.93Å; S209-L212 PolarHBondContact O-N 3.48Å; S209-H213 PolarHBondContact O-N 2.85Å; S209-H213 PolarHBondContact O-ND1 3.28Å
210L89.3Confident83.9Confident4 Ų473.4 Ų73.42%0.02136%0.361CS..Hα-helixtrans-60.3-43.1175.917861.6000111.7F186 V196 F199 G206 R207 L212 H213 I214 M237F186-L210 HydrophobicContact CE2-CD1 4.1Å; F186-L210 HydrophobicContact CZ-CD1 3.64Å; V196-L210 HydrophobicContact CB-CD1 4.33Å; V196-L210 HydrophobicContact CG1-CD1 4.06Å; V196-L210 HydrophobicContact CG1-CD2 4.13Å; V196-L210 HydrophobicContact CG2-CD1 3.93Å; F199-L210 HydrophobicContact CB-CB 4.03Å; F199-L210 HydrophobicContact CD2-CB 4.23Å; F199-L210 HydrophobicContact CD2-CD1 3.99Å; F199-L210 HydrophobicContact CG-CB 4.24Å; G206-L210 WeakPolarHBondContact O-CB 3.43Å; G206-L210 PolarHBondContact O-N 2.74Å; R207-L210 PolarHBondContact O-N 2.88Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 3.28Å; L210-H213 PolarHBondContact O-N 3.36Å; L210-I214 HydrophobicContact CD1-CD1 4.33Å; L210-I214 WeakPolarHBondContact O-CB 3.48Å; L210-I214 PolarHBondContact O-N 3.45Å; L210-M237 HydrophobicContact CD2-CE 4.22Å; L210-M237 HydrophobicContact CD2-SD 3.99Å; L210-M237 HydrophobicContact CG-CE 3.94Å; L210-M237 HydrophobicContact CG-SD 4.34Å
211E87.9Confident83.5Confident49 Ų4973.4 Ų73.423%0.22936%0.364CS..Hα-helixtrans-58.1-39.8177.6-73.1-178.9-166.500112.3R207 V208 S209 M237 Q240R207-E211 IonicContact CZ-OE1 3.47Å; R207-E211 IonicContact NE-OE1 2.63Å; R207-E211 PolarHBondContact NE-OE1 3.37Å; R207-E211 IonicContact NH2-OE1 3.11Å; R207-E211 WeakPolarHBondContact O-CG 3.33Å; R207-E211 PolarHBondContact O-N 3.06Å; V208-E211 PolarHBondContact O-N 3.37Å; S209-E211 VanDerWaalsContact C-N 3.33Å; S209-E211 PolarHBondContact O-N 2.93Å; E211-M237 HydrophobicContact CB-CE 4.11Å; E211-M237 HydrophobicContact CG-CE 3.36Å; E211-Q240 HydrophobicContact CB-CG 4.5Å; E211-Q240 VanDerWaalsContact CD-NE2 3.31Å; E211-Q240 HydrophobicContact CG-CG 4.44Å; E211-Q240 PolarHBondContact OE2-NE2 3.15Å; E211-Q240 VanDerWaalsContact OE2-NE2 3.15Å
212L85.9Confident83.1Confident101 Ų10171.3 Ų71.353%0.52936%0.359SS..Hα-helixtrans-73.4-37.1177.4-69168.9000113.2V208 S209 L210V208-L212 HydrophobicContact CG1-CD1 4.47Å; V208-L212 WeakPolarHBondContact O-CG 3.34Å; V208-L212 PolarHBondContact O-N 3.11Å; S209-L212 PolarHBondContact O-N 3.48Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 3.28Å
213H86.6Confident83Confident37 Ų3778 Ų7817%0.17139%0.389CS..Hα-helixtrans-81.3-31.3-175.4-72.682.7000112.7S183 F186 F199 S209 L210 E215 R216S183-H213 PolarHBondContact OG-NE2 2.99Å; S183-H213 VanDerWaalsContact OG-NE2 3.16Å; F186-H213 HydrophobicContact CD1-CB 3.73Å; F186-H213 HydrophobicContact CE1-CB 3.79Å; F186-H213 HydrophobicContact CG-CB 4.22Å; F186-H213 HydrophobicContact CZ-CB 4.38Å; F199-H213 HydrophobicContact CE2-CB 4.3Å; F199-H213 AromaticContact CZ-ND1 3.95Å; S209-H213 PolarHBondContact O-N 2.85Å; S209-H213 PolarHBondContact O-ND1 3.28Å; L210-H213 PolarHBondContact O-N 3.36Å; H213-E215 VanDerWaalsContact C-N 3.3Å; H213-E215 PolarHBondContact O-N 3.37Å; H213-R216 PolarHBondContact O-N 3.11Å; H213-R216 VanDerWaalsContact O-N 3.11Å
214I85.5Confident83.1Confident2 Ų274.1 Ų74.11%0.0136%0.361CS..Hα-helixtrans-66.2-32.5-176.2-156.7145.3000112.7L210 R216 I217 V228 I231 C232 M237 Q240L210-I214 HydrophobicContact CD1-CD1 4.33Å; L210-I214 WeakPolarHBondContact O-CB 3.48Å; L210-I214 PolarHBondContact O-N 3.45Å; I214-R216 PolarHBondContact O-N 3.36Å; I214-I217 HydrophobicContact CG1-CD1 4.1Å; I214-I217 PolarHBondContact O-N 3.36Å; I214-V228 HydrophobicContact CD1-CG1 4.01Å; I214-V228 HydrophobicContact CG1-CG1 3.63Å; I214-I231 HydrophobicContact CD1-CG2 4.18Å; I214-C232 WeakPolarHBondContact CD1-SG 3.18Å; I214-M237 HydrophobicContact CG2-CE 4.05Å; I214-Q240 HydrophobicContact CG2-CB 4.2Å; I214-Q240 HydrophobicContact CG2-CG 4Å
215E79.9Confident83.3Confident101 Ų10167.8 Ų67.847%0.47233%0.332SS..THydrogen-bonded Turntrans-69.2-22.7176.5-64.2-162.2143.900112.9H213 S243H213-E215 VanDerWaalsContact C-N 3.3Å; H213-E215 PolarHBondContact O-N 3.37Å; E215-S243 WeakPolarHBondContact OE1-CB 3.43Å; E215-S243 PolarHBondContact OE1-OG 3.47Å
216R81.6Confident83.3Confident191 Ų19167.7 Ų67.772%0.72133%0.331SS*.THydrogen-bonded Turntrans-86.6-8.3-178.5-63.1178.8176.9177-1113.3H213 I214 P218H213-R216 PolarHBondContact O-N 3.11Å; H213-R216 VanDerWaalsContact O-N 3.11Å; I214-R216 PolarHBondContact O-N 3.36Å; R216-P218 WeakPolarHBondContact O-CD 3.32Å
217I80.9Confident83.4Confident12 Ų1273 Ų736%0.06235%0.354CS..SBendtrans-65.6126.1-177.9-60.7178.3000109.8F186 W192 I214 L219 K224 V228F186-I217 HydrophobicContact CD1-CD1 4.33Å; F186-I217 HydrophobicContact CD1-CG1 4.16Å; F186-I217 HydrophobicContact CE1-CD1 3.64Å; F186-I217 HydrophobicContact CE1-CG1 3.86Å; F186-I217 HydrophobicContact CZ-CD1 4.4Å; W192-I217 HydrophobicContact CD2-CD1 4.16Å; W192-I217 HydrophobicContact CE3-CD1 3.6Å; W192-I217 HydrophobicContact CZ3-CD1 3.97Å; I214-I217 HydrophobicContact CG1-CD1 4.1Å; I214-I217 PolarHBondContact O-N 3.36Å; I217-L219 PolarHBondContact O-N 3.41Å; I217-L219 VanDerWaalsContact O-N 3.07Å; I217-K224 VanDerWaalsContact CG2-CE 3.44Å; I217-V228 HydrophobicContact CD1-CG2 4.1Å; I217-V228 HydrophobicContact CG2-CG2 4.46Å
218P77.3Confident83.4Confident74 Ų7465.7 Ų65.748%0.48133%0.327SS..  trans-67.4113.4175.124.5-31.5000110.8R216 N220 K224R216-P218 WeakPolarHBondContact O-CD 3.32Å; P218-N220 VanDerWaalsContact C-N 3.34Å; P218-N220 PolarHBondContact O-N 3.16Å; P218-K224 PolarHBondContact O-NZ 3.03Å
219L79.3Confident83.4Confident25 Ų2562 Ų6213%0.13130%0.304CS..  trans-8767.5179.2-57.9177.5000111.1I217 A225 V228 I244 L248 K251I217-L219 PolarHBondContact O-N 3.41Å; I217-L219 VanDerWaalsContact O-N 3.07Å; L219-A225 HydrophobicContact CD2-CB 4.42Å; L219-V228 HydrophobicContact CD2-CG2 4.18Å; L219-I244 HydrophobicContact CD1-CG2 3.85Å; L219-L248 HydrophobicContact CB-CD2 4.31Å; L219-L248 HydrophobicContact CD1-CD2 4Å; L219-L248 HydrophobicContact CD1-CG 4.2Å; L219-K251 PolarHBondContact O-NZ 3.29Å
220N77.3Confident83.5Confident126 Ų12668.8 Ų68.867%0.67433%0.326SS*.  trans-76.6-33.5-176-65.5-11.4000112.8P218P218-N220 VanDerWaalsContact C-N 3.34Å; P218-N220 PolarHBondContact O-N 3.16Å
221T81.4Confident83.3Confident78 Ų7869.7 Ų69.748%0.47933%0.33SS..SBendtrans-122.6148.8-177.6650000111.6Q223 K224 A225T221-Q223 VanDerWaalsContact C-N 3.29Å; T221-Q223 PolarHBondContact O-N 3.46Å; T221-K224 PolarHBondContact O-N 3.37Å; T221-K224 VanDerWaalsContact OG1-CB 3.29Å; T221-K224 WeakPolarHBondContact OG1-CB 3.48Å; T221-K224 PolarHBondContact OG1-N 2.99Å; T221-A225 PolarHBondContact O-N 3.35Å; T221-A225 VanDerWaalsContact O-N 3.09Å
222E79.1Confident83.3Confident105 Ų10567.3 Ų67.349%0.49132%0.319SS..Hα-helixtrans-62.7-36.4177.9-173.1166.2-161.800112.2K224 A225 L226 W264E222-K224 VanDerWaalsContact C-N 3.35Å; E222-K224 PolarHBondContact O-N 2.88Å; E222-A225 WeakPolarHBondContact O-CB 3.38Å; E222-A225 PolarHBondContact O-N 3.32Å; E222-L226 WeakPolarHBondContact O-CG 3.4Å; E222-L226 PolarHBondContact O-N 3.33Å; E222-W264 HydrophobicContact CG-CZ2 4.09Å
223Q81.9Confident83.3Confident147 Ų14767.8 Ų67.869%0.68732%0.319SS*.Hα-helixtrans-62.6-40.1174.5-67.3179.5-11.600112.3T221 K227T221-Q223 VanDerWaalsContact C-N 3.29Å; T221-Q223 PolarHBondContact O-N 3.46Å; Q223-K227 WeakPolarHBondContact O-CG 3.44Å; Q223-K227 PolarHBondContact O-N 3.37Å; Q223-K227 VanDerWaalsContact O-N 3.1Å
224K82.6Confident83.4Confident35 Ų3571.9 Ų71.915%0.15234%0.338CS..Hα-helixtrans-67.6-41.2177.1-169178.2-179-167.70110.6W192 I217 P218 T221 E222 K227 V228W192-K224 HydrophobicContact CZ2-CG 4.32Å; I217-K224 VanDerWaalsContact CG2-CE 3.44Å; P218-K224 PolarHBondContact O-NZ 3.03Å; T221-K224 PolarHBondContact O-N 3.37Å; T221-K224 VanDerWaalsContact OG1-CB 3.29Å; T221-K224 WeakPolarHBondContact OG1-CB 3.48Å; T221-K224 PolarHBondContact OG1-N 2.99Å; E222-K224 VanDerWaalsContact C-N 3.35Å; E222-K224 PolarHBondContact O-N 2.88Å; K224-K227 PolarHBondContact O-N 2.91Å; K224-V228 WeakPolarHBondContact O-CG2 3.26Å; K224-V228 PolarHBondContact O-N 3.13Å
225A84.1Confident83.4Confident1 Ų174.6 Ų74.61%0.00835%0.348CS..Hα-helixtrans-59.2-46.9174.500000113L219 T221 E222 K227 V228 L229 L248L219-A225 HydrophobicContact CD2-CB 4.42Å; T221-A225 PolarHBondContact O-N 3.35Å; T221-A225 VanDerWaalsContact O-N 3.09Å; E222-A225 WeakPolarHBondContact O-CB 3.38Å; E222-A225 PolarHBondContact O-N 3.32Å; A225-K227 VanDerWaalsContact C-N 3.3Å; A225-K227 PolarHBondContact O-N 3.4Å; A225-V228 PolarHBondContact O-N 3.01Å; A225-L229 WeakPolarHBondContact O-CG 3.37Å; A225-L229 PolarHBondContact O-N 3.38Å; A225-L248 HydrophobicContact CB-CD1 3.67Å; A225-L248 HydrophobicContact CB-CD2 3.91Å; A225-L248 HydrophobicContact CB-CG 4.45Å
226L84.8Confident83.7Confident73 Ų7377.3 Ų77.338%0.38236%0.361SS..Hα-helixtrans-61-38.3175.7-74.4169.5000112.5E222 R230 W264E222-L226 WeakPolarHBondContact O-CG 3.4Å; E222-L226 PolarHBondContact O-N 3.33Å; L226-R230 WeakPolarHBondContact O-CB 3.34Å; L226-R230 PolarHBondContact O-N 3.25Å; L226-W264 HydrophobicContact CD2-CH2 3.5Å; L226-W264 HydrophobicContact CD2-CZ3 4.09Å; L226-W264 HydrophobicContact CG-CH2 3.9Å
227K86.8Confident83.9Confident112 Ų11268.4 Ų68.449%0.48733%0.327SS..Hα-helixtrans-65.9-44.9176.4-74.3179-179.4-173.10112.1W192 Q223 K224 A225 R230 I231W192-K227 HydrophobicContact CH2-CB 4.44Å; Q223-K227 WeakPolarHBondContact O-CG 3.44Å; Q223-K227 PolarHBondContact O-N 3.37Å; Q223-K227 VanDerWaalsContact O-N 3.1Å; K224-K227 PolarHBondContact O-N 2.91Å; A225-K227 VanDerWaalsContact C-N 3.3Å; A225-K227 PolarHBondContact O-N 3.4Å; K227-R230 PolarHBondContact O-N 3.41Å; K227-I231 WeakPolarHBondContact O-CG1 3.43Å; K227-I231 PolarHBondContact O-N 3.35Å; K227-I231 VanDerWaalsContact O-N 3.09Å
228V86.7Confident84.1Confident0 Ų072 Ų720%035%0.35CS..Hα-helixtrans-61.3-46.2176.8175.30000110.2W192 I214 I217 L219 K224 A225 R230 I231 C232 I244W192-V228 HydrophobicContact CH2-CG2 3.55Å; W192-V228 HydrophobicContact CZ2-CG2 4.21Å; W192-V228 HydrophobicContact CZ3-CG2 3.88Å; I214-V228 HydrophobicContact CD1-CG1 4.01Å; I214-V228 HydrophobicContact CG1-CG1 3.63Å; I217-V228 HydrophobicContact CD1-CG2 4.1Å; I217-V228 HydrophobicContact CG2-CG2 4.46Å; L219-V228 HydrophobicContact CD2-CG2 4.18Å; K224-V228 WeakPolarHBondContact O-CG2 3.26Å; K224-V228 PolarHBondContact O-N 3.13Å; A225-V228 PolarHBondContact O-N 3.01Å; V228-R230 PolarHBondContact O-N 2.88Å; V228-I231 WeakPolarHBondContact O-CB 3.44Å; V228-I231 PolarHBondContact O-N 3.07Å; V228-I231 VanDerWaalsContact O-N 3.15Å; V228-C232 PolarHBondContact O-N 3.46Å; V228-C232 PolarHBondContact O-SG 3.36Å; V228-I244 HydrophobicContact CG1-CD1 3.71Å
229L85.9Confident84.5Confident3 Ų373.5 Ų73.52%0.01635%0.35CS..Hα-helixtrans-60.8-43178-73170.9000112.6A225 I231 C232 E233 V241 I244 L248 W264A225-L229 WeakPolarHBondContact O-CG 3.37Å; A225-L229 PolarHBondContact O-N 3.38Å; L229-I231 VanDerWaalsContact C-N 3.29Å; L229-I231 PolarHBondContact O-N 3.14Å; L229-C232 PolarHBondContact O-N 3.15Å; L229-E233 WeakPolarHBondContact O-CB 3.49Å; L229-E233 WeakPolarHBondContact O-CG 3.14Å; L229-E233 PolarHBondContact O-N 3.19Å; L229-V241 HydrophobicContact CD2-CB 4.44Å; L229-V241 HydrophobicContact CD2-CG1 4.14Å; L229-V241 HydrophobicContact CD2-CG2 4.41Å; L229-I244 HydrophobicContact CD2-CB 4.04Å; L229-I244 HydrophobicContact CD2-CG2 3.74Å; L229-I244 HydrophobicContact CG-CG2 4.1Å; L229-L248 HydrophobicContact CD1-CD1 4.25Å; L229-W264 HydrophobicContact CD1-CE3 3.99Å; L229-W264 HydrophobicContact CD1-CH2 4.07Å; L229-W264 HydrophobicContact CD1-CZ3 3.28Å
230R87.7Confident84.8Confident169 Ų16973.2 Ų73.264%0.63835%0.348SS*.Hα-helixtrans-59.1-41.3175.3-177.3178.1177.9172.52112L226 K227 V228 E233 Q234L226-R230 WeakPolarHBondContact O-CB 3.34Å; L226-R230 PolarHBondContact O-N 3.25Å; K227-R230 PolarHBondContact O-N 3.41Å; V228-R230 PolarHBondContact O-N 2.88Å; R230-E233 PolarHBondContact O-N 3.24Å; R230-Q234 WeakPolarHBondContact O-CB 3.17Å; R230-Q234 VanDerWaalsContact O-CG 3.23Å; R230-Q234 WeakPolarHBondContact O-CG 3.44Å; R230-Q234 PolarHBondContact O-N 2.87Å
231I86.9Confident85.2Confident22 Ų2268 Ų6811%0.11332%0.321CS..Hα-helixtrans-63.4-44.8177.2-76.4168.8000110.8W192 V196 I214 K227 V228 L229 R235W192-I231 HydrophobicContact CH2-CD1 3.75Å; W192-I231 HydrophobicContact CZ3-CD1 3.61Å; V196-I231 HydrophobicContact CG1-CG2 3.85Å; V196-I231 HydrophobicContact CG2-CG2 4.37Å; I214-I231 HydrophobicContact CD1-CG2 4.18Å; K227-I231 WeakPolarHBondContact O-CG1 3.43Å; K227-I231 PolarHBondContact O-N 3.35Å; K227-I231 VanDerWaalsContact O-N 3.09Å; V228-I231 WeakPolarHBondContact O-CB 3.44Å; V228-I231 PolarHBondContact O-N 3.07Å; V228-I231 VanDerWaalsContact O-N 3.15Å; L229-I231 VanDerWaalsContact C-N 3.29Å; L229-I231 PolarHBondContact O-N 3.14Å; I231-R235 PolarHBondContact O-N 3.02Å; I231-R235 PolarHBondContact O-NH1 2.94Å
232C87.7Confident85.5Confident0 Ų068.6 Ų68.60%032%0.317CS..Hα-helixtrans-64.9-42176.9-62.20000112.3I214 V228 L229 R235 Q236 M237 V241I214-C232 WeakPolarHBondContact CD1-SG 3.18Å; V228-C232 PolarHBondContact O-N 3.46Å; V228-C232 PolarHBondContact O-SG 3.36Å; L229-C232 PolarHBondContact O-N 3.15Å; C232-R235 CarbonylContact O-C 2.94Å; C232-R235 PolarHBondContact O-N 3Å; C232-Q236 PolarHBondContact O-N 3.2Å; C232-Q236 VanDerWaalsContact O-N 3.09Å; C232-M237 HydrophobicContact CB-CB 4.04Å; C232-M237 HydrophobicContact CB-SD 4.49Å; C232-M237 PolarHBondContact O-N 3.23Å; C232-V241 HydrophobicContact CB-CG2 3.48Å; C232-V241 VanDerWaalsContact CB-CG2 3.48Å
233E86.3Confident85.8Confident111 Ų11165.4 Ų65.452%0.51931%0.306SS..Hα-helixtrans-64.3-42.9178.1-75.7173.1177.600111.7L229 R230 R235 Q236 V241L229-E233 WeakPolarHBondContact O-CB 3.49Å; L229-E233 WeakPolarHBondContact O-CG 3.14Å; L229-E233 PolarHBondContact O-N 3.19Å; R230-E233 PolarHBondContact O-N 3.24Å; E233-R235 PolarHBondContact O-N 3.3Å; E233-Q236 PolarHBondContact O-N 3.09Å; E233-V241 HydrophobicContact CG-CG2 4.09Å
234Q87.7Confident86Confident123 Ų12358.6 Ų58.658%0.57527%0.274SS*.Hα-helixtrans-59.7-30.9175.2-77.2174.8-18.200112.7R230R230-Q234 WeakPolarHBondContact O-CB 3.17Å; R230-Q234 VanDerWaalsContact O-CG 3.23Å; R230-Q234 WeakPolarHBondContact O-CG 3.44Å; R230-Q234 PolarHBondContact O-N 2.87Å
235R85.8Confident86.2Confident59 Ų5957 Ų5722%0.22327%0.268CS..THydrogen-bonded Turntrans-10110.9-177.9-68.9169.6-175.368.5-1.1113.5D200 I231 C232 E233 M237D200-R235 VanDerWaalsContact CG-NE 3.27Å; D200-R235 WeakPolarHBondContact OD1-CD 3.48Å; D200-R235 IonicContact OD1-CZ 3.96Å; D200-R235 IonicContact OD1-NE 2.93Å; D200-R235 PolarHBondContact OD1-NE 3.38Å; D200-R235 IonicContact OD2-CZ 3.09Å; D200-R235 IonicContact OD2-NE 2.8Å; D200-R235 PolarHBondContact OD2-NE 2.92Å; D200-R235 IonicContact OD2-NH2 2.62Å; D200-R235 PolarHBondContact OD2-NH2 2.92Å; I231-R235 PolarHBondContact O-N 3.02Å; I231-R235 PolarHBondContact O-NH1 2.94Å; C232-R235 CarbonylContact O-C 2.94Å; C232-R235 PolarHBondContact O-N 3Å; E233-R235 PolarHBondContact O-N 3.3Å; R235-M237 HydrophobicContact CB-CG 4.01Å; R235-M237 HydrophobicContact CB-SD 3.99Å; R235-M237 PolarHBondContact O-N 3.14Å
236Q86.4Confident86.3Confident158 Ų15862 Ų6274%0.73829%0.289SS*.THydrogen-bonded Turntrans55.732.1179-54.8-179.90.600114.2C232 E233 T238C232-Q236 PolarHBondContact O-N 3.2Å; C232-Q236 VanDerWaalsContact O-N 3.09Å; E233-Q236 PolarHBondContact O-N 3.09Å; Q236-T238 VanDerWaalsContact C-N 3.29Å; Q236-T238 PolarHBondContact O-N 3.22Å
237M85.8Confident86.3Confident3 Ų362.7 Ų62.72%0.01529%0.292CS..  trans-8368.3179.2-64.6169.882.300110.6L210 E211 I214 C232 R235 E239 Q240 V241L210-M237 HydrophobicContact CD2-CE 4.22Å; L210-M237 HydrophobicContact CD2-SD 3.99Å; L210-M237 HydrophobicContact CG-CE 3.94Å; L210-M237 HydrophobicContact CG-SD 4.34Å; E211-M237 HydrophobicContact CB-CE 4.11Å; E211-M237 HydrophobicContact CG-CE 3.36Å; I214-M237 HydrophobicContact CG2-CE 4.05Å; C232-M237 HydrophobicContact CB-CB 4.04Å; C232-M237 HydrophobicContact CB-SD 4.49Å; C232-M237 PolarHBondContact O-N 3.23Å; R235-M237 HydrophobicContact CB-CG 4.01Å; R235-M237 HydrophobicContact CB-SD 3.99Å; R235-M237 PolarHBondContact O-N 3.14Å; M237-E239 VanDerWaalsContact C-N 3.35Å; M237-E239 PolarHBondContact O-N 2.98Å; M237-Q240 HydrophobicContact CB-CB 4.25Å; M237-Q240 HydrophobicContact CE-CG 4.07Å; M237-Q240 PolarHBondContact O-N 3.26Å; M237-Q240 PolarHBondContact O-OE1 2.92Å; M237-V241 WeakPolarHBondContact O-CG2 3.48Å; M237-V241 PolarHBondContact O-N 3.44Å
238T84.9Confident86.2Confident88 Ų8858.1 Ų58.154%0.5427%0.273SS..Hα-helixtrans-64.3-35.9-169.452.80000113.6Q236 K242Q236-T238 VanDerWaalsContact C-N 3.29Å; Q236-T238 PolarHBondContact O-N 3.22Å; T238-K242 WeakPolarHBondContact O-CG 3.47Å; T238-K242 PolarHBondContact O-N 3.46Å; T238-K242 VanDerWaalsContact O-N 3.15Å
239E85.3Confident86.2Confident105 Ų10558.5 Ų58.549%0.49128%0.277SS..Hα-helixtrans-70.7-39.8-179.4-63.7-50.411600111.6M237 K242 S243M237-E239 VanDerWaalsContact C-N 3.35Å; M237-E239 PolarHBondContact O-N 2.98Å; E239-K242 PolarHBondContact O-N 2.99Å; E239-K242 IonicContact OE1-NZ 3.04Å; E239-K242 PolarHBondContact OE1-NZ 3.35Å; E239-K242 IonicContact OE2-NZ 3.62Å; E239-S243 WeakPolarHBondContact O-CB 3.29Å; E239-S243 PolarHBondContact O-N 3.05Å
240Q86.6Confident86.1Confident19 Ų1963 Ų639%0.08930%0.299CS..Hα-helixtrans-68.2-38176.8-64.57513.900111E211 I214 M237 K242 S243 I244E211-Q240 HydrophobicContact CB-CG 4.5Å; E211-Q240 VanDerWaalsContact CD-NE2 3.31Å; E211-Q240 HydrophobicContact CG-CG 4.44Å; E211-Q240 PolarHBondContact OE2-NE2 3.15Å; E211-Q240 VanDerWaalsContact OE2-NE2 3.15Å; I214-Q240 HydrophobicContact CG2-CB 4.2Å; I214-Q240 HydrophobicContact CG2-CG 4Å; M237-Q240 HydrophobicContact CB-CB 4.25Å; M237-Q240 HydrophobicContact CE-CG 4.07Å; M237-Q240 PolarHBondContact O-N 3.26Å; M237-Q240 PolarHBondContact O-OE1 2.92Å; Q240-K242 VanDerWaalsContact C-N 3.35Å; Q240-K242 PolarHBondContact O-N 3.21Å; Q240-S243 PolarHBondContact O-N 3.13Å; Q240-I244 WeakPolarHBondContact O-CB 3.38Å; Q240-I244 WeakPolarHBondContact O-CD1 3.47Å; Q240-I244 WeakPolarHBondContact O-CG1 3.36Å; Q240-I244 PolarHBondContact O-N 3.08Å
241V85.6Confident86Confident17 Ų1759.2 Ų59.210%0.10329%0.287CS..Hα-helixtrans-58.7-45.7172.5169.10000111.2L229 C232 E233 M237 C245L229-V241 HydrophobicContact CD2-CB 4.44Å; L229-V241 HydrophobicContact CD2-CG1 4.14Å; L229-V241 HydrophobicContact CD2-CG2 4.41Å; C232-V241 HydrophobicContact CB-CG2 3.48Å; C232-V241 VanDerWaalsContact CB-CG2 3.48Å; E233-V241 HydrophobicContact CG-CG2 4.09Å; M237-V241 WeakPolarHBondContact O-CG2 3.48Å; M237-V241 PolarHBondContact O-N 3.44Å; V241-C245 VanDerWaalsContact O-CB 3.28Å; V241-C245 WeakPolarHBondContact O-CB 3.29Å; V241-C245 PolarHBondContact O-N 3.19Å; V241-C245 PolarHBondContact O-SG 3.29Å
242K86.1Confident85.8Confident91 Ų9158.7 Ų58.740%0.39629%0.285SS..Hα-helixtrans-62.5-49.4177-69.1171.5-175166.40111.4T238 E239 Q240 I244 C245 K246T238-K242 WeakPolarHBondContact O-CG 3.47Å; T238-K242 PolarHBondContact O-N 3.46Å; T238-K242 VanDerWaalsContact O-N 3.15Å; E239-K242 PolarHBondContact O-N 2.99Å; E239-K242 IonicContact OE1-NZ 3.04Å; E239-K242 PolarHBondContact OE1-NZ 3.35Å; E239-K242 IonicContact OE2-NZ 3.62Å; Q240-K242 VanDerWaalsContact C-N 3.35Å; Q240-K242 PolarHBondContact O-N 3.21Å; K242-I244 PolarHBondContact O-N 3.27Å; K242-C245 PolarHBondContact O-N 3.15Å; K242-K246 VanDerWaalsContact O-CB 3.31Å; K242-K246 WeakPolarHBondContact O-CB 3.33Å; K242-K246 PolarHBondContact O-N 3.41Å
243S86.5Confident85.7Confident38 Ų3862.2 Ų62.227%0.26631%0.307SS..Hα-helixtrans-55-51.6178.9-177.10000111.3E215 E239 Q240 K246 I247E215-S243 WeakPolarHBondContact OE1-CB 3.43Å; E215-S243 PolarHBondContact OE1-OG 3.47Å; E239-S243 WeakPolarHBondContact O-CB 3.29Å; E239-S243 PolarHBondContact O-N 3.05Å; Q240-S243 PolarHBondContact O-N 3.13Å; S243-K246 PolarHBondContact O-N 2.81Å; S243-I247 WeakPolarHBondContact O-CG1 3.44Å; S243-I247 PolarHBondContact O-N 3.39Å
244I86.2Confident85.6Confident3 Ų367 Ų672%0.01532%0.32CS..Hα-helixtrans-64.5-47.3179.9-67.6166.6000111.4L219 V228 L229 Q240 K242 K246 I247 L248L219-I244 HydrophobicContact CD1-CG2 3.85Å; V228-I244 HydrophobicContact CG1-CD1 3.71Å; L229-I244 HydrophobicContact CD2-CB 4.04Å; L229-I244 HydrophobicContact CD2-CG2 3.74Å; L229-I244 HydrophobicContact CG-CG2 4.1Å; Q240-I244 WeakPolarHBondContact O-CB 3.38Å; Q240-I244 WeakPolarHBondContact O-CD1 3.47Å; Q240-I244 WeakPolarHBondContact O-CG1 3.36Å; Q240-I244 PolarHBondContact O-N 3.08Å; K242-I244 PolarHBondContact O-N 3.27Å; I244-K246 VanDerWaalsContact C-N 3.28Å; I244-K246 PolarHBondContact O-N 3.41Å; I244-I247 PolarHBondContact O-N 3.08Å; I244-L248 HydrophobicContact CG2-CD1 3.84Å; I244-L248 HydrophobicContact CG2-CG 4.41Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 3.14Å
245C86.2Confident85.5Confident1 Ų165.8 Ų65.81%0.00732%0.318CS..Hα-helixtrans-60.8-38.4178.6-720000111.7V241 K242 L248 A249 A268V241-C245 VanDerWaalsContact O-CB 3.28Å; V241-C245 WeakPolarHBondContact O-CB 3.29Å; V241-C245 PolarHBondContact O-N 3.19Å; V241-C245 PolarHBondContact O-SG 3.29Å; K242-C245 PolarHBondContact O-N 3.15Å; C245-L248 PolarHBondContact O-N 3.13Å; C245-A249 WeakPolarHBondContact O-CB 3.42Å; C245-A249 PolarHBondContact O-N 3.33Å; C245-A268 HydrophobicContact CB-CB 3.59Å
246K86.3Confident85.3Confident106 Ų10670 Ų7046%0.46134%0.344SS..Hα-helixtrans-64.4-43.9176.5-169.6179.9-177.8170.80112.1K242 S243 I244 L248 A249 M250K242-K246 VanDerWaalsContact O-CB 3.31Å; K242-K246 WeakPolarHBondContact O-CB 3.33Å; K242-K246 PolarHBondContact O-N 3.41Å; S243-K246 PolarHBondContact O-N 2.81Å; I244-K246 VanDerWaalsContact C-N 3.28Å; I244-K246 PolarHBondContact O-N 3.41Å; K246-L248 VanDerWaalsContact C-N 3.35Å; K246-L248 PolarHBondContact O-N 3.03Å; K246-A249 PolarHBondContact O-N 2.96Å; K246-M250 HydrophobicContact CD-CE 4.04Å; K246-M250 HydrophobicContact CG-CE 3.64Å; K246-M250 WeakPolarHBondContact O-CG 3.43Å; K246-M250 PolarHBondContact O-N 3.3Å
247I85.5Confident85.2Confident88 Ų8869.8 Ų69.845%0.45134%0.337SS..Hα-helixtrans-61.3-44.1175.4-66.6165.1000110.7S243 I244 M250 K251S243-I247 WeakPolarHBondContact O-CG1 3.44Å; S243-I247 PolarHBondContact O-N 3.39Å; I244-I247 PolarHBondContact O-N 3.08Å; I247-M250 PolarHBondContact O-N 3.23Å; I247-K251 WeakPolarHBondContact O-CB 3.44Å; I247-K251 PolarHBondContact O-N 2.94Å
248L85Confident84.9Confident17 Ų1775.6 Ų75.69%0.08937%0.368CS..Hα-helixtrans-66.9-40.7178.8-69169.8000112.4L219 A225 L229 I244 C245 K246 K251 A252 W264L219-L248 HydrophobicContact CB-CD2 4.31Å; L219-L248 HydrophobicContact CD1-CD2 4Å; L219-L248 HydrophobicContact CD1-CG 4.2Å; A225-L248 HydrophobicContact CB-CD1 3.67Å; A225-L248 HydrophobicContact CB-CD2 3.91Å; A225-L248 HydrophobicContact CB-CG 4.45Å; L229-L248 HydrophobicContact CD1-CD1 4.25Å; I244-L248 HydrophobicContact CG2-CD1 3.84Å; I244-L248 HydrophobicContact CG2-CG 4.41Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 3.14Å; C245-L248 PolarHBondContact O-N 3.13Å; K246-L248 VanDerWaalsContact C-N 3.35Å; K246-L248 PolarHBondContact O-N 3.03Å; L248-K251 PolarHBondContact O-N 3.21Å; L248-A252 WeakPolarHBondContact O-CB 3.37Å; L248-A252 PolarHBondContact O-N 3.18Å; L248-W264 HydrophobicContact CB-CD2 4.23Å; L248-W264 HydrophobicContact CB-CG 4.1Å; L248-W264 HydrophobicContact CD1-CD2 4.3Å; L248-W264 HydrophobicContact CD1-CE3 4.18Å; L248-W264 HydrophobicContact CD1-CH2 4.4Å; L248-W264 HydrophobicContact CD1-CZ3 4.25Å
249A85Confident84.7Confident8 Ų874.4 Ų74.47%0.06637%0.372CS..Hα-helixtrans-59.9-49.3174.600000110.7C245 K246 K251 A252 V253 W264C245-A249 WeakPolarHBondContact O-CB 3.42Å; C245-A249 PolarHBondContact O-N 3.33Å; K246-A249 PolarHBondContact O-N 2.96Å; A249-K251 VanDerWaalsContact C-N 3.32Å; A249-K251 PolarHBondContact O-N 3.09Å; A249-A252 PolarHBondContact O-N 3.41Å; A249-A252 VanDerWaalsContact O-N 3.13Å; A249-V253 WeakPolarHBondContact O-CG2 3.46Å; A249-V253 PolarHBondContact O-N 3Å; A249-W264 HydrophobicContact CB-CB 4.01Å
250M84.9Confident84.4Confident97 Ų9771.2 Ų71.248%0.47836%0.362SS..Hα-helixtrans-59.7-41.1176.2-70.9-166.3-13200112.5K246 I247 A252 V253 R254K246-M250 HydrophobicContact CD-CE 4.04Å; K246-M250 HydrophobicContact CG-CE 3.64Å; K246-M250 WeakPolarHBondContact O-CG 3.43Å; K246-M250 PolarHBondContact O-N 3.3Å; I247-M250 PolarHBondContact O-N 3.23Å; M250-A252 VanDerWaalsContact C-N 3.34Å; M250-V253 PolarHBondContact O-N 2.91Å; M250-R254 WeakPolarHBondContact O-CG 3.44Å; M250-R254 PolarHBondContact O-N 3.26Å
251K84.6Confident84.1Confident90 Ų9070.6 Ų70.639%0.39136%0.36SS..Hα-helixtrans-64-38.8175.9-172.7174.8178.5175.50111.9L219 I247 L248 A249 N255L219-K251 PolarHBondContact O-NZ 3.29Å; I247-K251 WeakPolarHBondContact O-CB 3.44Å; I247-K251 PolarHBondContact O-N 2.94Å; L248-K251 PolarHBondContact O-N 3.21Å; A249-K251 VanDerWaalsContact C-N 3.32Å; A249-K251 PolarHBondContact O-N 3.09Å; K251-N255 PolarHBondContact O-N 3.3Å; K251-N255 PolarHBondContact O-ND2 3.43Å
252A84.3Confident83.8Confident10 Ų1074.2 Ų74.28%0.08338%0.378CS..Hα-helixtrans-69.8-38.7177.300000112.6L248 A249 M250 N255 N256 R257 A261L248-A252 WeakPolarHBondContact O-CB 3.37Å; L248-A252 PolarHBondContact O-N 3.18Å; A249-A252 PolarHBondContact O-N 3.41Å; A249-A252 VanDerWaalsContact O-N 3.13Å; M250-A252 VanDerWaalsContact C-N 3.34Å; A252-N255 CarbonylContact O-C 3.51Å; A252-N255 PolarHBondContact O-N 3.14Å; A252-N256 PolarHBondContact O-N 3.15Å; A252-R257 PolarHBondContact O-N 3.18Å; A252-A261 HydrophobicContact CB-CB 3.86Å
253V85.3Confident83.6Confident75 Ų7572.4 Ų72.446%0.45538%0.377SS..Hα-helixtrans-60.2-47.3172.9172.20000110.7A249 M250 N255 N256 A261A249-V253 WeakPolarHBondContact O-CG2 3.46Å; A249-V253 PolarHBondContact O-N 3Å; M250-V253 PolarHBondContact O-N 2.91Å; V253-N255 PolarHBondContact O-N 3.29Å; V253-N256 PolarHBondContact O-N 3.38Å; V253-A261 HydrophobicContact CG2-CB 3.66Å
254R84.1Confident83.4Confident212 Ų21271.3 Ų71.380%0.837%0.367SS*.Hα-helixtrans-59-30.1176.3-73.2179.6-179.5-1781.3113.2M250 N256M250-R254 WeakPolarHBondContact O-CG 3.44Å; M250-R254 PolarHBondContact O-N 3.26Å; R254-N256 VanDerWaalsContact C-N 3.33Å
255N84.3Confident83Confident97 Ų9771.8 Ų71.852%0.51937%0.371SS..THydrogen-bonded Turntrans-90.612.8179-68.6-21.1000113.6K251 A252 V253 R257K251-N255 PolarHBondContact O-N 3.3Å; K251-N255 PolarHBondContact O-ND2 3.43Å; A252-N255 CarbonylContact O-C 3.51Å; A252-N255 PolarHBondContact O-N 3.14Å; V253-N255 PolarHBondContact O-N 3.29Å; N255-R257 PolarHBondContact O-N 3Å; N255-R257 VanDerWaalsContact O-N 3.15Å
256N83.4Confident82.7Confident146 Ų14677.4 Ų77.478%0.78140%0.4SS*.THydrogen-bonded Turntrans56.722.2-176.9-71.4-42.5000115.1A252 V253 R254 L258A252-N256 PolarHBondContact O-N 3.15Å; V253-N256 PolarHBondContact O-N 3.38Å; R254-N256 VanDerWaalsContact C-N 3.33Å; N256-L258 PolarHBondContact O-N 3.28Å
257R83.3Confident82Confident155 Ų15578.1 Ų78.159%0.58540%0.399SS*.  trans-98.174.6177.3-64.9-175-170.5170.42110.7A252 N255 G259 S260 A261A252-R257 PolarHBondContact O-N 3.18Å; N255-R257 PolarHBondContact O-N 3Å; N255-R257 VanDerWaalsContact O-N 3.15Å; R257-G259 VanDerWaalsContact C-N 3.34Å; R257-G259 PolarHBondContact O-N 3.26Å; R257-S260 PolarHBondContact O-N 3.48Å; R257-A261 PolarHBondContact O-N 2.85Å
258L79.9Confident81.2Confident125 Ų12574.2 Ų74.265%0.65438%0.38SS*.Hα-helixtrans-61.9-36.6-175.3-62.1174.9000113.3N256 A261 L262N256-L258 PolarHBondContact O-N 3.28Å; L258-A261 PolarHBondContact O-N 2.62Å; L258-L262 WeakPolarHBondContact O-CB 3.28Å; L258-L262 PolarHBondContact O-N 3.28Å
259G79.5Confident80.3Confident62 Ų6282.3 Ų82.364%0.63942%0.415SS*.Hα-helixtrans-64.9-42.4177.900000113.4R257 S263R257-G259 VanDerWaalsContact C-N 3.34Å; R257-G259 PolarHBondContact O-N 3.26Å; G259-S263 PolarHBondContact O-N 3.09Å; G259-S263 VanDerWaalsContact O-N 3.13Å
260S79.9Confident78.7Confident39 Ų3985 Ų8527%0.27343%0.428SS..Hα-helixtrans-67.4-41.4173.8-56.50000111.1R257 L262 S263 W264R257-S260 PolarHBondContact O-N 3.48Å; S260-L262 PolarHBondContact O-N 3.11Å; S260-S263 WeakPolarHBondContact O-CB 3.35Å; S260-S263 PolarHBondContact O-N 3.38Å; S260-W264 PolarHBondContact O-N 2.8Å
261A79.8Confident76.9Confident6 Ų684.4 Ų84.45%0.0544%0.438CS..Hα-helixtrans-57.9-46.6176.600000112A252 V253 R257 L258 S263 W264 S265A252-A261 HydrophobicContact CB-CB 3.86Å; V253-A261 HydrophobicContact CG2-CB 3.66Å; R257-A261 PolarHBondContact O-N 2.85Å; L258-A261 PolarHBondContact O-N 2.62Å; A261-S263 PolarHBondContact O-N 2.93Å; A261-W264 PolarHBondContact O-N 3.26Å; A261-S265 PolarHBondContact O-N 3.18Å; A261-S265 PolarHBondContact O-OG 3.08Å; A261-S265 VanDerWaalsContact O-OG 3.12Å
262L79.4Confident75.1Confident93 Ų9384 Ų8449%0.48745%0.451SS..Hα-helixtrans-62-43.2177.4-175.264.1000111.9L258 S260 W264 S265 I266L258-L262 WeakPolarHBondContact O-CB 3.28Å; L258-L262 PolarHBondContact O-N 3.28Å; S260-L262 PolarHBondContact O-N 3.11Å; L262-W264 VanDerWaalsContact C-N 3.33Å; L262-W264 PolarHBondContact O-N 3.37Å; L262-S265 PolarHBondContact O-N 3.36Å; L262-I266 HydrophobicContact CD1-CD1 4.22Å; L262-I266 HydrophobicContact CD1-CG1 4.38Å; L262-I266 HydrophobicContact CG-CD1 3.88Å; L262-I266 HydrophobicContact CG-CG1 4.46Å; L262-I266 VanDerWaalsContact O-CG1 3.26Å; L262-I266 WeakPolarHBondContact O-CG1 3.35Å; L262-I266 PolarHBondContact O-N 3.39Å
263S82.1Confident73.2Confident53 Ų5390.8 Ų90.837%0.37148%0.479SS..Hα-helixtrans-58.2-43.3176-176.10000112.3G259 S260 A261 R267G259-S263 PolarHBondContact O-N 3.09Å; G259-S263 VanDerWaalsContact O-N 3.13Å; S260-S263 WeakPolarHBondContact O-CB 3.35Å; S260-S263 PolarHBondContact O-N 3.38Å; A261-S263 PolarHBondContact O-N 2.93Å; S263-R267 WeakPolarHBondContact O-CG 3.23Å; S263-R267 PolarHBondContact O-N 2.93Å
264W82.5Confident70.9Confident14 Ų1494.5 Ų94.55%0.05352%0.518CS..Hα-helixtrans-69.5-39.1176.9-65.1120.8000112.8E222 L226 L229 L248 A249 S260 A261 L262 R267 A268E222-W264 HydrophobicContact CG-CZ2 4.09Å; L226-W264 HydrophobicContact CD2-CH2 3.5Å; L226-W264 HydrophobicContact CD2-CZ3 4.09Å; L226-W264 HydrophobicContact CG-CH2 3.9Å; L229-W264 HydrophobicContact CD1-CE3 3.99Å; L229-W264 HydrophobicContact CD1-CH2 4.07Å; L229-W264 HydrophobicContact CD1-CZ3 3.28Å; L248-W264 HydrophobicContact CB-CD2 4.23Å; L248-W264 HydrophobicContact CB-CG 4.1Å; L248-W264 HydrophobicContact CD1-CD2 4.3Å; L248-W264 HydrophobicContact CD1-CE3 4.18Å; L248-W264 HydrophobicContact CD1-CH2 4.4Å; L248-W264 HydrophobicContact CD1-CZ3 4.25Å; A249-W264 HydrophobicContact CB-CB 4.01Å; S260-W264 PolarHBondContact O-N 2.8Å; A261-W264 PolarHBondContact O-N 3.26Å; L262-W264 VanDerWaalsContact C-N 3.33Å; L262-W264 PolarHBondContact O-N 3.37Å; W264-R267 PolarHBondContact O-N 3Å; W264-A268 PolarHBondContact O-N 2.98Å
265S78.2Confident70.2Confident14 Ų1488.6 Ų88.610%0.09850%0.503CS..Hα-helixtrans-66.2-39.5176.6-62.50000112.7A261 L262 R267 A268 K269 D270A261-S265 PolarHBondContact O-N 3.18Å; A261-S265 PolarHBondContact O-OG 3.08Å; A261-S265 VanDerWaalsContact O-OG 3.12Å; L262-S265 PolarHBondContact O-N 3.36Å; S265-R267 VanDerWaalsContact C-N 3.31Å; S265-R267 PolarHBondContact O-N 3.14Å; S265-A268 WeakPolarHBondContact O-CB 3.49Å; S265-A268 PolarHBondContact O-N 3.37Å; S265-K269 PolarHBondContact O-N 3.24Å; S265-D270 PolarHBondContact O-N 3.47Å
266I78.9Confident69.5Low119 Ų11988.2 Ų88.261%0.6150%0.503SS*.Hα-helixtrans-62.2-42.1174.4-69.1166.6000110.2L262 K269L262-I266 HydrophobicContact CD1-CD1 4.22Å; L262-I266 HydrophobicContact CD1-CG1 4.38Å; L262-I266 HydrophobicContact CG-CD1 3.88Å; L262-I266 HydrophobicContact CG-CG1 4.46Å; L262-I266 VanDerWaalsContact O-CG1 3.26Å; L262-I266 WeakPolarHBondContact O-CG1 3.35Å; L262-I266 PolarHBondContact O-N 3.39Å; I266-K269 PolarHBondContact O-N 3.1Å; I266-K269 VanDerWaalsContact O-N 3.13Å
267R72.9Confident68.7Low121 Ų12184.9 Ų84.946%0.45749%0.487SS..Hα-helixtrans-66.9-33.5176.5-74.4178.3179.3-150.30.3113.4S263 W264 S265 K269S263-R267 WeakPolarHBondContact O-CG 3.23Å; S263-R267 PolarHBondContact O-N 2.93Å; W264-R267 PolarHBondContact O-N 3Å; S265-R267 VanDerWaalsContact C-N 3.31Å; S265-R267 PolarHBondContact O-N 3.14Å; R267-K269 PolarHBondContact O-N 2.92Å
268A67.4Low67.9Low5 Ų580.8 Ų80.84%0.04148%0.481CS..THydrogen-bonded Turntrans-66.8-11.4173.500000113.2C245 W264 S265 D270C245-A268 HydrophobicContact CB-CB 3.59Å; W264-A268 PolarHBondContact O-N 2.98Å; S265-A268 WeakPolarHBondContact O-CB 3.49Å; S265-A268 PolarHBondContact O-N 3.37Å; A268-D270 HydrophobicContact CB-CB 4.06Å; A268-D270 PolarHBondContact O-N 3.04Å
269K67.1Low67.1Low188 Ų18878.1 Ų78.182%0.81747%0.471SS*.THydrogen-bonded Turntrans50.133.4-167.2-59.4-178178.51800111.7S265 I266 R267 A271S265-K269 PolarHBondContact O-N 3.24Å; I266-K269 PolarHBondContact O-N 3.1Å; I266-K269 VanDerWaalsContact O-N 3.13Å; R267-K269 PolarHBondContact O-N 2.92Å; K269-A271 PolarHBondContact O-N 3.06Å
270D51.6Low66.3Low65 Ų6579.1 Ų79.135%0.34846%0.459SS..  trans-76.9112.1-176.2-138.6-16.8000108.1S265 A268 A272S265-D270 PolarHBondContact O-N 3.47Å; A268-D270 HydrophobicContact CB-CB 4.06Å; A268-D270 PolarHBondContact O-N 3.04Å; D270-A272 PolarHBondContact O-N 3.31Å; D270-A272 VanDerWaalsContact O-N 3.07Å
271A46Very low65.3Low83 Ų8382 Ų8269%0.68647%0.473SS*.G310 helixtrans-67.8-4.2-177.100000113.3K269 F273K269-A271 PolarHBondContact O-N 3.06Å; A271-F273 PolarHBondContact O-N 3.45Å
272A46.3Very low64.2Low81 Ų8187.8 Ų87.867%0.66951%0.505SS*.G310 helixtrans-74.3-5.8-179.400000114.6D270D270-A272 PolarHBondContact O-N 3.31Å; D270-A272 VanDerWaalsContact O-N 3.07Å
273F44.6Very low62.9Low154 Ų15487.4 Ų87.468%0.67551%0.507SS*.G310 helixtrans-12513.2178.3-84.9-82.8000113.7A271A271-F273 PolarHBondContact O-N 3.45Å
274A37.5Very low61.2Low152 Ų15290.5 Ų90.5100%1.25652%0.519SS*.  trans-99.70171.500000110.9

Retrieved 274 of 274 residues in 55 ms (Link to these results)

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