A0A096NNE9_PAPAN Loading...

Ankyrin repeat and SOCS box protein 7

Probable substrate-recognition component of a SCF-like ECS (Elongin-Cullin-SOCS-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Plays a role in spindle dynamics and genome integrity by targeting the mitotic progression protein PSRC1 for proteasomal degradation in a cell cycle-dependent manner. Also participates in meiosis by mediating the proper attachment between kinetochores and microtubules.

AlphaFold DB (A0A6P3EMJ1), UniProt , Accession A0A096NNE9, Species PAPAN (Papio anubis, Olive baboon), Gene ASB7, Length 318 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
1M38.4Very low50Low236 Ų236150.4 Ų150.4100%1.16373%0.73SS**  0530-63.7177.6-162.100111.8
2L36.4Very low52.5Low161 Ų161145 Ų14584%0.84371%0.707SS**  trans-126.2-0.1177-80.5158.8000113
3H34.8Very low54.9Low187 Ų187144.8 Ų144.887%0.86670%0.704SS**SBendtrans-95.52.2-178.4-88-70.2000115.2
4H39Very low57.1Low142 Ų142141.6 Ų141.666%0.65769%0.687SS**SBendtrans-101.111.2-176.4-93-61000115
5H39.8Very low59Low101 Ų101135.9 Ų135.947%0.46866%0.658SS.*SBendtrans-117.210.1-170.5-84-20.2000113.9R8H5-R8 PolarHBondContact CD2-NH2 3.34Å; H5-R8 PolarHBondContact CE1-NH2 2.97Å; H5-R8 VanDerWaalsContact CG-NE 3.29Å; H5-R8 VanDerWaalsContact ND1-CZ 3.28Å; H5-R8 PolarHBondContact ND1-NE 2.94Å; H5-R8 PolarHBondContact ND1-NH2 3.38Å; H5-R8 VanDerWaalsContact ND1-NH2 3.12Å; H5-R8 PolarHBondContact NE2-NH2 3.47Å; H5-R8 WeakPolarHBondContact O-CB 3.34Å; H5-R8 WeakPolarHBondContact O-CD 3.29Å; H5-R8 WeakPolarHBondContact O-CG 3.48Å; H5-R8 PolarHBondContact O-NE 3.21Å
6C39.9Very low60.9Low133 Ų133134.3 Ų134.390%0.89965%0.653SS**SBendtrans-115.116.4164.2-77.10000113.3R8C6-R8 PolarHBondContact O-N 3.2Å
7R47.7Very low62.8Low215 Ų215132.5 Ų132.581%0.81164%0.643SS**SBendtrans-85.321.9156.5-75.4-173.2174.2179.4-2.2110.9
8R55.5Low64.5Low156 Ų156125.1 Ų125.159%0.58961%0.608SS**  trans-98.5124.2-161.4-82.8-169.4-174.5158.7-21.5110.5H5 C6H5-R8 PolarHBondContact CD2-NH2 3.34Å; H5-R8 PolarHBondContact CE1-NH2 2.97Å; H5-R8 VanDerWaalsContact CG-NE 3.29Å; H5-R8 VanDerWaalsContact ND1-CZ 3.28Å; H5-R8 PolarHBondContact ND1-NE 2.94Å; H5-R8 PolarHBondContact ND1-NH2 3.38Å; H5-R8 VanDerWaalsContact ND1-NH2 3.12Å; H5-R8 PolarHBondContact NE2-NH2 3.47Å; H5-R8 WeakPolarHBondContact O-CB 3.34Å; H5-R8 WeakPolarHBondContact O-CD 3.29Å; H5-R8 WeakPolarHBondContact O-CG 3.48Å; H5-R8 PolarHBondContact O-NE 3.21Å; C6-R8 PolarHBondContact O-N 3.2Å
9N66.4Low66Low83 Ų83121.4 Ų121.444%0.44459%0.589SS.*  trans78.193.7165.9-138.7-3.8000116.5E11 L12 Q13N9-E11 PolarHBondContact O-N 3.46Å; N9-L12 HydrophobicContact CB-CB 4.23Å; N9-L12 HydrophobicContact CB-CD1 3.69Å; N9-L12 WeakPolarHBondContact O-CB 3.23Å; N9-L12 PolarHBondContact O-N 3.44Å; N9-L12 VanDerWaalsContact O-N 3.16Å; N9-Q13 PolarHBondContact O-N 3Å
10P75.5Confident67.4Low95 Ų95118.4 Ų118.462%0.61759%0.585SS**Hα-helixtrans-54.3-37.5179.1-24.933.7000113.8L12 Q13 E14P10-L12 PolarHBondContact O-N 3.14Å; P10-Q13 WeakPolarHBondContact O-CB 3.38Å; P10-Q13 PolarHBondContact O-N 3.36Å; P10-Q13 VanDerWaalsContact O-N 3.11Å; P10-E14 PolarHBondContact O-N 3.33Å
11E77Confident68.8Low145 Ų145113 Ų11368%0.67856%0.559SS**Hα-helixtrans-61.9-41.2179-64.1175.6176.600112.2N9 Q13 E14 E15N9-E11 PolarHBondContact O-N 3.46Å; E11-Q13 VanDerWaalsContact C-N 3.29Å; E11-Q13 PolarHBondContact O-N 3.2Å; E11-E14 PolarHBondContact O-N 3.1Å; E11-E15 WeakPolarHBondContact O-CB 3.39Å; E11-E15 PolarHBondContact O-N 3.25Å
12L79.8Confident71.5Confident86 Ų86101.8 Ų101.845%0.4550%0.504SS..Hα-helixtrans-65.3-35.5175.1-97.4136.9000111.6N9 P10 L16N9-L12 HydrophobicContact CB-CB 4.23Å; N9-L12 HydrophobicContact CB-CD1 3.69Å; N9-L12 WeakPolarHBondContact O-CB 3.23Å; N9-L12 PolarHBondContact O-N 3.44Å; N9-L12 VanDerWaalsContact O-N 3.16Å; P10-L12 PolarHBondContact O-N 3.14Å; L12-L16 WeakPolarHBondContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CD1 3.44Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.39Å
13Q83.3Confident74.3Confident142 Ų14295.6 Ų95.666%0.66448%0.476SS*.Hα-helixtrans-70.9-39.6179-167.7167.8-10.700111.5N9 P10 E11 Q17N9-Q13 PolarHBondContact O-N 3Å; P10-Q13 WeakPolarHBondContact O-CB 3.38Å; P10-Q13 PolarHBondContact O-N 3.36Å; P10-Q13 VanDerWaalsContact O-N 3.11Å; E11-Q13 VanDerWaalsContact C-N 3.29Å; E11-Q13 PolarHBondContact O-N 3.2Å; Q13-Q17 VanDerWaalsContact O-CB 3.32Å; Q13-Q17 WeakPolarHBondContact O-CB 3.03Å; Q13-Q17 PolarHBondContact O-N 3.32Å
14E85.7Confident77.1Confident100 Ų10090.3 Ų90.347%0.46747%0.465SS..Hα-helixtrans-64.3-42.9172.1-72.6-178.8-179.100111.9P10 E11 Q17 I18 M33 Y38P10-E14 PolarHBondContact O-N 3.33Å; E11-E14 PolarHBondContact O-N 3.1Å; E14-Q17 PolarHBondContact O-N 3.03Å; E14-I18 PolarHBondContact O-N 3.1Å; E14-M33 HydrophobicContact CB-CE 4.42Å; E14-M33 WeakPolarHBondContact O-CE 3.38Å; E14-Y38 HydrophobicContact CB-CE2 4.45Å
15E86.7Confident79.8Confident56 Ų5684.9 Ų84.926%0.26245%0.447SS..Hα-helixtrans-60.8-48.5176-172.5-177.2-179.800111.8E11 Q17 I18 Q19E11-E15 WeakPolarHBondContact O-CB 3.39Å; E11-E15 PolarHBondContact O-N 3.25Å; E15-Q17 VanDerWaalsContact C-N 3.28Å; E15-Q17 PolarHBondContact O-N 3.1Å; E15-I18 WeakPolarHBondContact O-CG2 3.39Å; E15-I18 PolarHBondContact O-N 2.91Å; E15-Q19 HydrophobicContact CG-CG 4.5Å; E15-Q19 WeakPolarHBondContact O-CB 3.45Å; E15-Q19 VanDerWaalsContact O-CG 3.26Å; E15-Q19 WeakPolarHBondContact O-CG 3.31Å; E15-Q19 PolarHBondContact O-N 3.2Å; E15-Q19 PolarHBondContact OE1-NE2 3.36Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.14Å
16L89.2Confident82.5Confident110 Ų11083.1 Ų83.158%0.57644%0.441SS*.Hα-helixtrans-59.8-40.1175.9-79.7158.1000111.7L12 A20L12-L16 WeakPolarHBondContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CD1 3.44Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.39Å; L16-A20 VanDerWaalsContact O-CB 3.28Å; L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 3.28Å
17Q93.3Very high85.2Confident104 Ų10478.3 Ų78.349%0.48641%0.408SS..Hα-helixtrans-65.2-48.6179.3-177.5177.70.600111.9Q13 E14 E15 A20 A21 M33Q13-Q17 VanDerWaalsContact O-CB 3.32Å; Q13-Q17 WeakPolarHBondContact O-CB 3.03Å; Q13-Q17 PolarHBondContact O-N 3.32Å; E14-Q17 PolarHBondContact O-N 3.03Å; E15-Q17 VanDerWaalsContact C-N 3.28Å; E15-Q17 PolarHBondContact O-N 3.1Å; Q17-A20 PolarHBondContact O-N 3.41Å; Q17-A21 PolarHBondContact O-N 3.36Å; Q17-M33 HydrophobicContact CB-CE 4.27Å; Q17-M33 HydrophobicContact CG-CE 4.27Å; Q17-M33 HydrophobicContact CG-SD 4.08Å
18I93.6Very high87.5Confident0 Ų074.9 Ų74.90%040%0.4CS..Hα-helixtrans-68.5-38.4-179.9-163.3162.8000111.3E14 E15 A20 A21 V22 M33 Y38 L50E14-I18 PolarHBondContact O-N 3.1Å; E15-I18 WeakPolarHBondContact O-CG2 3.39Å; E15-I18 PolarHBondContact O-N 2.91Å; I18-A20 VanDerWaalsContact C-N 3.33Å; I18-A20 PolarHBondContact O-N 3.09Å; I18-A21 PolarHBondContact O-N 3.28Å; I18-V22 WeakPolarHBondContact O-CG2 3.32Å; I18-V22 PolarHBondContact O-N 2.9Å; I18-M33 HydrophobicContact CB-CE 3.76Å; I18-M33 HydrophobicContact CB-SD 3.74Å; I18-M33 HydrophobicContact CD1-CB 4.08Å; I18-M33 HydrophobicContact CD1-SD 4.35Å; I18-M33 HydrophobicContact CG1-SD 4.07Å; I18-Y38 HydrophobicContact CD1-CD1 3.54Å; I18-Y38 HydrophobicContact CD1-CE1 3.76Å; I18-Y38 HydrophobicContact CD1-CG 4.02Å; I18-Y38 HydrophobicContact CG2-CE1 4Å; I18-Y38 HydrophobicContact CG2-CE2 4.06Å; I18-L50 HydrophobicContact CD1-CD1 3.58Å; I18-L50 HydrophobicContact CG1-CD1 3.89Å; I18-L50 HydrophobicContact CG2-CD1 4.05Å; I18-L50 HydrophobicContact CG2-CD2 4.16Å
19Q92.6Very high89.5Confident55 Ų5569 Ų6926%0.25738%0.382SS..Hα-helixtrans-62.2-41.2175-73-178.76.900111.5E15 V22 A23 L50E15-Q19 HydrophobicContact CG-CG 4.5Å; E15-Q19 WeakPolarHBondContact O-CB 3.45Å; E15-Q19 VanDerWaalsContact O-CG 3.26Å; E15-Q19 WeakPolarHBondContact O-CG 3.31Å; E15-Q19 PolarHBondContact O-N 3.2Å; E15-Q19 PolarHBondContact OE1-NE2 3.36Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.14Å; Q19-V22 PolarHBondContact O-N 3.42Å; Q19-A23 VanDerWaalsContact O-CB 3.3Å; Q19-A23 WeakPolarHBondContact O-CB 3.38Å; Q19-A23 PolarHBondContact O-N 2.97Å; Q19-L50 HydrophobicContact CG-CD2 4.11Å
20A94.3Very high90.9Very high60 Ų6065 Ų6550%0.49636%0.361SS..Hα-helixtrans-63.9-42.8174.300000111.9L16 Q17 I18 V22 A23 A24L16-A20 VanDerWaalsContact O-CB 3.28Å; L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 3.28Å; Q17-A20 PolarHBondContact O-N 3.41Å; I18-A20 VanDerWaalsContact C-N 3.33Å; I18-A20 PolarHBondContact O-N 3.09Å; A20-V22 PolarHBondContact O-N 3.35Å; A20-A23 WeakPolarHBondContact O-CB 3.39Å; A20-A23 PolarHBondContact O-N 3.28Å; A20-A24 WeakPolarHBondContact O-CB 3.2Å; A20-A24 PolarHBondContact O-N 3.47Å
21A96.3Very high92Very high7 Ų764.4 Ų64.46%0.05835%0.346CS..Hα-helixtrans-60.5-45.5175.400000111.6Q17 I18 A23 A24 G25 D26 T29 V30Q17-A21 PolarHBondContact O-N 3.36Å; I18-A21 PolarHBondContact O-N 3.28Å; A21-A23 PolarHBondContact O-N 2.93Å; A21-A24 PolarHBondContact O-N 2.88Å; A21-G25 PolarHBondContact O-N 3.18Å; A21-D26 HydrophobicContact CB-CB 4.36Å; A21-D26 PolarHBondContact O-N 3.17Å; A21-T29 HydrophobicContact CB-CG2 3.81Å; A21-V30 HydrophobicContact CB-CG2 3.97Å
22V95.4Very high92.9Very high0 Ų062.6 Ų62.60%034%0.336CS..Hα-helixtrans-63-43174.6177.90000111.1I18 Q19 A20 A24 G25 V30 L50 F53 K59 C62 F66I18-V22 WeakPolarHBondContact O-CG2 3.32Å; I18-V22 PolarHBondContact O-N 2.9Å; Q19-V22 PolarHBondContact O-N 3.42Å; A20-V22 PolarHBondContact O-N 3.35Å; V22-A24 VanDerWaalsContact C-N 3.29Å; V22-A24 PolarHBondContact O-N 2.79Å; V22-G25 PolarHBondContact O-N 3.37Å; V22-V30 HydrophobicContact CG2-CG2 3.7Å; V22-L50 HydrophobicContact CG2-CD2 4.4Å; V22-F53 HydrophobicContact CB-CD1 4.08Å; V22-F53 HydrophobicContact CB-CE1 4.14Å; V22-F53 HydrophobicContact CG1-CD1 3.61Å; V22-F53 HydrophobicContact CG1-CE1 3.98Å; V22-K59 HydrophobicContact CG1-CB 4.38Å; V22-K59 HydrophobicContact CG1-CG 4.32Å; V22-K59 WeakPolarHBondContact O-CD 3.32Å; V22-K59 WeakPolarHBondContact O-CE 3.26Å; V22-K59 VanDerWaalsContact O-CG 3.31Å; V22-K59 WeakPolarHBondContact O-CG 3.21Å; V22-C62 HydrophobicContact CG1-CB 4.29Å; V22-F66 HydrophobicContact CG1-CE2 4.49Å; V22-F66 HydrophobicContact CG2-CE2 3.73Å; V22-F66 HydrophobicContact CG2-CZ 3.46Å; V22-F66 VanDerWaalsContact CG2-CZ 3.46Å
23A93.9Very high93.7Very high30 Ų3059.2 Ų59.225%0.24832%0.318CS..Hα-helixtrans-60.8-38.1177.800000112.3Q19 A20 A21 G25 F53 K59Q19-A23 VanDerWaalsContact O-CB 3.3Å; Q19-A23 WeakPolarHBondContact O-CB 3.38Å; Q19-A23 PolarHBondContact O-N 2.97Å; A20-A23 WeakPolarHBondContact O-CB 3.39Å; A20-A23 PolarHBondContact O-N 3.28Å; A21-A23 PolarHBondContact O-N 2.93Å; A23-G25 VanDerWaalsContact C-N 3.33Å; A23-F53 HydrophobicContact CB-CE1 4.06Å; A23-F53 HydrophobicContact CB-CZ 4.12Å; A23-K59 WeakPolarHBondContact O-CE 3.44Å; A23-K59 PolarHBondContact O-NZ 2.69Å
24A95.5Very high94.2Very high77 Ų7753.1 Ų53.164%0.63629%0.29SS*.Hα-helixtrans-72.7-26.6171.800000112.3A20 A21 V22 D26A20-A24 WeakPolarHBondContact O-CB 3.2Å; A20-A24 PolarHBondContact O-N 3.47Å; A21-A24 PolarHBondContact O-N 2.88Å; V22-A24 VanDerWaalsContact C-N 3.29Å; V22-A24 PolarHBondContact O-N 2.79Å; A24-D26 HydrophobicContact CB-CB 4.48Å
25G94Very high94.7Very high28 Ų2854.7 Ų54.729%0.28930%0.297SS..THydrogen-bonded Turntrans79.523.8-169.800000112.5A21 V22 A23 V27A21-G25 PolarHBondContact O-N 3.18Å; V22-G25 PolarHBondContact O-N 3.37Å; A23-G25 VanDerWaalsContact C-N 3.33Å; G25-V27 PolarHBondContact O-N 3.3Å
26D96.7Very high95Very high63 Ų6358.7 Ų58.734%0.33732%0.316SS..  trans-75.887.4176.1-178.40.3000110.2A21 A24 H28 T29 V30A21-D26 HydrophobicContact CB-CB 4.36Å; A21-D26 PolarHBondContact O-N 3.17Å; A24-D26 HydrophobicContact CB-CB 4.48Å; D26-H28 PolarHBondContact O-N 3.01Å; D26-H28 WeakPolarHBondContact OD1-CB 3.35Å; D26-H28 PolarHBondContact OD1-N 3.29Å; D26-H28 VanDerWaalsContact OD1-N 3.1Å; D26-T29 PolarHBondContact OD1-N 3.37Å; D26-T29 VanDerWaalsContact OD1-N 3.09Å; D26-T29 WeakPolarHBondContact OD2-CB 3.37Å; D26-T29 PolarHBondContact OD2-OG1 3.13Å; D26-V30 VanDerWaalsContact O-CG2 3.31Å; D26-V30 WeakPolarHBondContact O-CG2 3.33Å; D26-V30 PolarHBondContact O-N 3.48Å; D26-V30 VanDerWaalsContact O-N 3.14Å
27V96.8Very high95.2Very high33 Ų3356.6 Ų56.620%0.232%0.321CS..Hα-helixtrans-64.3-29.1179.8-1750000111.9G25 R31 R61 V65G25-V27 PolarHBondContact O-N 3.3Å; V27-R31 VanDerWaalsContact O-CB 3.31Å; V27-R31 WeakPolarHBondContact O-CB 3.04Å; V27-R31 PolarHBondContact O-N 3.49Å; V27-R61 HydrophobicContact CG2-CB 3.5Å; V27-R61 VanDerWaalsContact CG2-CB 3.5Å; V27-V65 HydrophobicContact CG1-CG2 3.49Å; V27-V65 VanDerWaalsContact CG1-CG2 3.49Å
28H96.8Very high95.1Very high142 Ų14254 Ų5466%0.65731%0.307SS*.Hα-helixtrans-68.7-49.8-178.3179.372.1000110.5D26 V30 R31 K32D26-H28 PolarHBondContact O-N 3.01Å; D26-H28 WeakPolarHBondContact OD1-CB 3.35Å; D26-H28 PolarHBondContact OD1-N 3.29Å; D26-H28 VanDerWaalsContact OD1-N 3.1Å; H28-V30 PolarHBondContact O-N 3.22Å; H28-R31 PolarHBondContact O-N 2.96Å; H28-K32 WeakPolarHBondContact O-CB 3.41Å; H28-K32 PolarHBondContact O-N 2.84Å
29T96.4Very high95.1Very high33 Ų3357.1 Ų57.120%0.20233%0.329CS..Hα-helixtrans-62.7-42.7175.7-62.30000111.4A21 D26 R31 K32 M33A21-T29 HydrophobicContact CB-CG2 3.81Å; D26-T29 PolarHBondContact OD1-N 3.37Å; D26-T29 VanDerWaalsContact OD1-N 3.09Å; D26-T29 WeakPolarHBondContact OD2-CB 3.37Å; D26-T29 PolarHBondContact OD2-OG1 3.13Å; T29-R31 PolarHBondContact O-N 3.06Å; T29-K32 PolarHBondContact O-N 2.62Å; T29-M33 HydrophobicContact CG2-CG 4.42Å; T29-M33 HydrophobicContact CG2-SD 4.02Å; T29-M33 VanDerWaalsContact O-CG 3.32Å; T29-M33 WeakPolarHBondContact O-CG 3.37Å; T29-M33 PolarHBondContact O-N 3.2Å
30V97.1Very high95.1Very high0 Ų055.2 Ų55.20%032%0.321CS..Hα-helixtrans-57.6-50.6176169.60000111.4A21 V22 D26 H28 K32 M33 L34 V65 F66A21-V30 HydrophobicContact CB-CG2 3.97Å; V22-V30 HydrophobicContact CG2-CG2 3.7Å; D26-V30 VanDerWaalsContact O-CG2 3.31Å; D26-V30 WeakPolarHBondContact O-CG2 3.33Å; D26-V30 PolarHBondContact O-N 3.48Å; D26-V30 VanDerWaalsContact O-N 3.14Å; H28-V30 PolarHBondContact O-N 3.22Å; V30-K32 PolarHBondContact O-N 3.47Å; V30-M33 PolarHBondContact O-N 3.4Å; V30-L34 HydrophobicContact CG1-CD1 4.09Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 2.63Å; V30-L34 VanDerWaalsContact O-N 3.13Å; V30-V65 HydrophobicContact CG1-CG1 4.21Å; V30-F66 HydrophobicContact CG1-CD1 4.31Å; V30-F66 HydrophobicContact CG1-CE1 3.5Å; V30-F66 HydrophobicContact CG1-CE2 4.42Å; V30-F66 HydrophobicContact CG1-CZ 3.56Å; V30-F66 HydrophobicContact CG2-CZ 4.47Å
31R97.1Very high95.1Very high82 Ų8255 Ų5531%0.30931%0.312SS..Hα-helixtrans-60.4-46.9179.9-177.2179.6-63.1-80.7-1.1111.4V27 H28 T29 M33 L34 E35 V65 E68V27-R31 VanDerWaalsContact O-CB 3.31Å; V27-R31 WeakPolarHBondContact O-CB 3.04Å; V27-R31 PolarHBondContact O-N 3.49Å; H28-R31 PolarHBondContact O-N 2.96Å; T29-R31 PolarHBondContact O-N 3.06Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 3.44Å; R31-L34 PolarHBondContact O-N 3.2Å; R31-E35 WeakPolarHBondContact CD-OE1 3.3Å; R31-E35 HydrophobicContact CG-CG 4.38Å; R31-E35 VanDerWaalsContact CG-OE1 3.29Å; R31-E35 WeakPolarHBondContact CG-OE1 3.32Å; R31-E35 WeakPolarHBondContact O-CG 3.43Å; R31-E35 PolarHBondContact O-N 3.16Å; R31-V65 HydrophobicContact CB-CG1 4.27Å; R31-V65 VanDerWaalsContact NH2-CG2 3.35Å; R31-E68 IonicContact CZ-OE2 3.81Å; R31-E68 IonicContact NH1-OE2 2.94Å; R31-E68 IonicContact NH2-OE2 3.21Å; R31-E68 PolarHBondContact NH2-OE2 3Å
32K96.6Very high94.9Very high106 Ų10656.1 Ų56.146%0.46133%0.325SS..Hα-helixtrans-57.2-43.1178.4-177-178.6177.5-177.30112.1H28 T29 V30 E35 Q36H28-K32 WeakPolarHBondContact O-CB 3.41Å; H28-K32 PolarHBondContact O-N 2.84Å; T29-K32 PolarHBondContact O-N 2.62Å; V30-K32 PolarHBondContact O-N 3.47Å; K32-E35 PolarHBondContact O-N 3.37Å; K32-Q36 WeakPolarHBondContact O-CB 3.22Å; K32-Q36 VanDerWaalsContact O-CG 3.23Å; K32-Q36 WeakPolarHBondContact O-CG 3.47Å; K32-Q36 PolarHBondContact O-N 2.84Å
33M95.6Very high94.9Very high15 Ų1563 Ų637%0.07435%0.351CS..Hα-helixtrans-67.6-38.8179.7-68.8-178.877.600112.2E14 Q17 I18 T29 V30 R31 Q36 G37 Y38E14-M33 HydrophobicContact CB-CE 4.42Å; E14-M33 WeakPolarHBondContact O-CE 3.38Å; Q17-M33 HydrophobicContact CB-CE 4.27Å; Q17-M33 HydrophobicContact CG-CE 4.27Å; Q17-M33 HydrophobicContact CG-SD 4.08Å; I18-M33 HydrophobicContact CB-CE 3.76Å; I18-M33 HydrophobicContact CB-SD 3.74Å; I18-M33 HydrophobicContact CD1-CB 4.08Å; I18-M33 HydrophobicContact CD1-SD 4.35Å; I18-M33 HydrophobicContact CG1-SD 4.07Å; T29-M33 HydrophobicContact CG2-CG 4.42Å; T29-M33 HydrophobicContact CG2-SD 4.02Å; T29-M33 VanDerWaalsContact O-CG 3.32Å; T29-M33 WeakPolarHBondContact O-CG 3.37Å; T29-M33 PolarHBondContact O-N 3.2Å; V30-M33 PolarHBondContact O-N 3.4Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 3.44Å; M33-Q36 PolarHBondContact O-N 3.33Å; M33-G37 PolarHBondContact O-N 2.78Å; M33-Y38 WeakPolarHBondContact O-CB 3.1Å; M33-Y38 PolarHBondContact O-N 2.99Å
34L95.4Very high94.8Very high14 Ų1463.8 Ų63.87%0.07335%0.35CS..Hα-helixtrans-65.4-42.2174.9-64.1171.3000111.7V30 R31 Q36 G37 Y38 P40 V65 F66 H69V30-L34 HydrophobicContact CG1-CD1 4.09Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 2.63Å; V30-L34 VanDerWaalsContact O-N 3.13Å; R31-L34 PolarHBondContact O-N 3.2Å; L34-Q36 PolarHBondContact O-N 3.4Å; L34-G37 PolarHBondContact O-N 3.2Å; L34-Y38 HydrophobicContact CD2-CD1 4.36Å; L34-Y38 WeakPolarHBondContact CD2-O 3.16Å; L34-P40 HydrophobicContact CD2-CB 3.88Å; L34-P40 HydrophobicContact CD2-CG 4.43Å; L34-V65 HydrophobicContact CD1-CG1 3.75Å; L34-F66 HydrophobicContact CD1-CD1 3.82Å; L34-F66 HydrophobicContact CD1-CE1 4.01Å; L34-F66 HydrophobicContact CD2-CD1 4.31Å; L34-F66 HydrophobicContact CD2-CE1 4.27Å; L34-F66 HydrophobicContact CG-CE1 4.49Å; L34-H69 HydrophobicContact CD1-CB 4.05Å
35E95.3Very high94.6Very high133 Ų13364.7 Ų64.762%0.62136%0.358SS*.Hα-helixtrans-62.9-28.7174.3-71.8169.217900112.4R31 K32 G37R31-E35 WeakPolarHBondContact CD-OE1 3.3Å; R31-E35 HydrophobicContact CG-CG 4.38Å; R31-E35 VanDerWaalsContact CG-OE1 3.29Å; R31-E35 WeakPolarHBondContact CG-OE1 3.32Å; R31-E35 WeakPolarHBondContact O-CG 3.43Å; R31-E35 PolarHBondContact O-N 3.16Å; K32-E35 PolarHBondContact O-N 3.37Å; E35-G37 PolarHBondContact O-N 3.12Å
36Q94.4Very high94.6Very high140 Ų14067.1 Ų67.165%0.65436%0.364SS*.THydrogen-bonded Turntrans-79.63.3173.9-72.2175.7-24.900113.6K32 M33 L34K32-Q36 WeakPolarHBondContact O-CB 3.22Å; K32-Q36 VanDerWaalsContact O-CG 3.23Å; K32-Q36 WeakPolarHBondContact O-CG 3.47Å; K32-Q36 PolarHBondContact O-N 2.84Å; M33-Q36 PolarHBondContact O-N 3.33Å; L34-Q36 PolarHBondContact O-N 3.4Å
37G91.5Very high94.6Very high66 Ų6664.1 Ų64.168%0.6835%0.349SS*.THydrogen-bonded Turntrans977.9174.800000115M33 L34 E35 S39M33-G37 PolarHBondContact O-N 2.78Å; L34-G37 PolarHBondContact O-N 3.2Å; E35-G37 PolarHBondContact O-N 3.12Å; G37-S39 PolarHBondContact O-N 3.03Å
38Y93.1Very high94.6Very high49 Ų4965.2 Ų65.219%0.19235%0.349CS..  trans-62.3127.3173-171.1-82.7000110.1E14 I18 M33 L34 P40 L50E14-Y38 HydrophobicContact CB-CE2 4.45Å; I18-Y38 HydrophobicContact CD1-CD1 3.54Å; I18-Y38 HydrophobicContact CD1-CE1 3.76Å; I18-Y38 HydrophobicContact CD1-CG 4.02Å; I18-Y38 HydrophobicContact CG2-CE1 4Å; I18-Y38 HydrophobicContact CG2-CE2 4.06Å; M33-Y38 WeakPolarHBondContact O-CB 3.1Å; M33-Y38 PolarHBondContact O-N 2.99Å; L34-Y38 HydrophobicContact CD2-CD1 4.36Å; L34-Y38 WeakPolarHBondContact CD2-O 3.16Å; Y38-P40 WeakPolarHBondContact O-CD 3.36Å; Y38-L50 HydrophobicContact CD1-CD1 4.41Å; Y38-L50 HydrophobicContact CE1-CD1 3.73Å
39S93.4Very high94.6Very high66 Ų6658.7 Ų58.746%0.46232%0.319SS..  trans-73.8122.3-179178.70000111.5G37 N41 G42G37-S39 PolarHBondContact O-N 3.03Å; S39-N41 PolarHBondContact O-N 2.92Å; S39-N41 PolarHBondContact OG-N 3.46Å; S39-G42 PolarHBondContact O-N 3.38Å
40P92.2Very high94.6Very high15 Ų1557.5 Ų57.510%0.09731%0.312CS..THydrogen-bonded Turntrans-70.4-12.217729.4-34.6000113.5L34 Y38 F66 H69 A71L34-P40 HydrophobicContact CD2-CB 3.88Å; L34-P40 HydrophobicContact CD2-CG 4.43Å; Y38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-F66 HydrophobicContact CB-CD1 4.27Å; P40-H69 WeakPolarHBondContact CG-O 3.43Å; P40-A71 HydrophobicContact CB-CB 3.89Å; P40-A71 HydrophobicContact CG-CB 4.41Å
41N94.3Very high94.6Very high55 Ų5557.6 Ų57.629%0.29431%0.312SS..THydrogen-bonded Turntrans-101.46.2-177.5-66.4-42.7000113.4S39 G70 A71 D72S39-N41 PolarHBondContact O-N 2.92Å; S39-N41 PolarHBondContact OG-N 3.46Å; N41-G70 PolarHBondContact ND2-O 3.04Å; N41-A71 WeakPolarHBondContact OD1-CA 3.43Å; N41-D72 PolarHBondContact OD1-N 3.45Å
42G92.5Very high94.6Very high32 Ų3253.7 Ų53.733%0.3330%0.298SS..  trans-53.2141.6170.200000111.1S39 T49S39-G42 PolarHBondContact O-N 3.38Å; G42-T49 WeakPolarHBondContact O-CA 3.46Å
43R93.7Very high94.6Very high145 Ų14550.2 Ų50.255%0.54728%0.282SS..  trans-120.6134.5-177.7-61.9-176.5-169.7-174.41.4109.8W48 T49 V75R43-W48 WeakPolarHBondContact CA-O 3.34Å; R43-T49 HydrophobicContact CG-CG2 3.97Å; R43-V75 VanDerWaalsContact CZ-CG1 3.42Å
44D92.3Very high94.7Very high45 Ų4549.5 Ų49.524%0.24128%0.279CS..  trans-75.1-177.5169.978.41.3000111.6N46 G47 W48D44-N46 PolarHBondContact O-N 3.11Å; D44-N46 VanDerWaalsContact O-N 3.11Å; D44-N46 WeakPolarHBondContact OD1-CA 3.49Å; D44-N46 WeakPolarHBondContact OD1-CB 3.05Å; D44-N46 PolarHBondContact OD1-N 3.36Å; D44-G47 PolarHBondContact O-N 3.14Å; D44-G47 PolarHBondContact OD1-N 3.39Å; D44-G47 VanDerWaalsContact OD1-N 3.12Å; D44-W48 PolarHBondContact N-O 3.33Å; D44-W48 WeakPolarHBondContact OD1-CB 3.27Å; D44-W48 PolarHBondContact OD1-N 3.06Å
45A92.4Very high94.8Very high97 Ų9748.8 Ų48.880%0.80228%0.275SS*.THydrogen-bonded Turntrans-60-21.1179.600000114.5
46N94Very high94.9Very high78 Ų7843 Ų4342%0.41725%0.25SS..THydrogen-bonded Turntrans-96.44.1177-61-45.7000112.2D44 W48 L78 I79D44-N46 PolarHBondContact O-N 3.11Å; D44-N46 VanDerWaalsContact O-N 3.11Å; D44-N46 WeakPolarHBondContact OD1-CA 3.49Å; D44-N46 WeakPolarHBondContact OD1-CB 3.05Å; D44-N46 PolarHBondContact OD1-N 3.36Å; N46-W48 VanDerWaalsContact C-N 3.31Å; N46-L78 PolarHBondContact O-N 3.3Å; N46-I79 HydrophobicContact CB-CD1 3.84Å; N46-I79 HydrophobicContact CB-CG1 4.25Å
47G95.6Very high95Very high1 Ų142.9 Ų42.91%0.0124%0.244CC..  trans799.3-175.100000114.2D44D44-G47 PolarHBondContact O-N 3.14Å; D44-G47 PolarHBondContact OD1-N 3.39Å; D44-G47 VanDerWaalsContact OD1-N 3.12Å
48W96.4Very high95.3Very high56 Ų5641 Ų4121%0.21223%0.225CC..  trans-74.8131.9179.7-80.834.6000111.1R43 D44 N46 H52 F53 A56 Y87R43-W48 WeakPolarHBondContact CA-O 3.34Å; D44-W48 PolarHBondContact N-O 3.33Å; D44-W48 WeakPolarHBondContact OD1-CB 3.27Å; D44-W48 PolarHBondContact OD1-N 3.06Å; N46-W48 VanDerWaalsContact C-N 3.31Å; W48-H52 HydrophobicContact CB-CB 4.2Å; W48-H52 HydrophobicContact CD2-CB 3.96Å; W48-H52 HydrophobicContact CE3-CB 4.03Å; W48-H52 HydrophobicContact CG-CB 4.06Å; W48-F53 HydrophobicContact CE3-CB 4.26Å; W48-F53 HydrophobicContact CE3-CD2 4.41Å; W48-F53 HydrophobicContact CZ3-CB 4.5Å; W48-F53 HydrophobicContact CZ3-CD2 4.23Å; W48-A56 HydrophobicContact CH2-CB 4.39Å; W48-A56 HydrophobicContact CZ3-CB 4.48Å; W48-Y87 AromaticContact CE2-CZ 3.72Å; W48-Y87 HydrophobicContact CH2-CD1 4.41Å; W48-Y87 HydrophobicContact CH2-CE1 4.01Å; W48-Y87 HydrophobicContact CZ2-CD1 4.26Å; W48-Y87 AromaticContact CZ2-CE1 3.48Å; W48-Y87 HydrophobicContact CZ2-CE1 3.48Å; W48-Y87 VanDerWaalsContact CZ2-CE1 3.48Å; W48-Y87 HydrophobicContact CZ2-CE2 4.08Å; W48-Y87 AromaticContact CZ2-CZ 3.34Å; W48-Y87 VanDerWaalsContact CZ2-OH 3.26Å; W48-Y87 WeakPolarHBondContact CZ2-OH 3.47Å; W48-Y87 AromaticContact NE1-CZ 3.8Å; W48-Y87 PolarHBondContact NE1-OH 2.89Å
49T96.6Very high95.5Very high4 Ų441.2 Ų41.23%0.02523%0.227CC..  trans-93.1168.9166.367.90000111G42 R43 L51 H52 F53 V75G42-T49 WeakPolarHBondContact O-CA 3.46Å; R43-T49 HydrophobicContact CG-CG2 3.97Å; T49-L51 PolarHBondContact O-N 3.48Å; T49-L51 PolarHBondContact OG1-N 3.1Å; T49-H52 PolarHBondContact N-ND1 3.26Å; T49-H52 VanDerWaalsContact N-ND1 3.2Å; T49-H52 WeakPolarHBondContact O-CB 3.36Å; T49-H52 PolarHBondContact O-N 3.06Å; T49-H52 PolarHBondContact OG1-ND1 3.01Å; T49-F53 PolarHBondContact O-N 3.14Å; T49-V75 HydrophobicContact CG2-CB 4.04Å; T49-V75 HydrophobicContact CG2-CG1 3.67Å; T49-V75 HydrophobicContact CG2-CG2 4.26Å
50L96.4Very high95.7Very high9 Ų940.7 Ų40.75%0.04722%0.217CC..Hα-helixtrans-61.8-24.2173-65.7174.2000112.9I18 Q19 V22 Y38 S54 F66I18-L50 HydrophobicContact CD1-CD1 3.58Å; I18-L50 HydrophobicContact CG1-CD1 3.89Å; I18-L50 HydrophobicContact CG2-CD1 4.05Å; I18-L50 HydrophobicContact CG2-CD2 4.16Å; Q19-L50 HydrophobicContact CG-CD2 4.11Å; V22-L50 HydrophobicContact CG2-CD2 4.4Å; Y38-L50 HydrophobicContact CD1-CD1 4.41Å; Y38-L50 HydrophobicContact CE1-CD1 3.73Å; L50-S54 VanDerWaalsContact O-CB 3.24Å; L50-S54 WeakPolarHBondContact O-CB 3.17Å; L50-S54 PolarHBondContact O-N 3.19Å; L50-S54 PolarHBondContact O-OG 2.93Å; L50-F66 HydrophobicContact CB-CD1 4.42Å; L50-F66 HydrophobicContact CB-CD2 4.2Å; L50-F66 HydrophobicContact CB-CE1 3.96Å; L50-F66 HydrophobicContact CB-CE2 3.69Å; L50-F66 HydrophobicContact CB-CZ 3.58Å; L50-F66 HydrophobicContact CD1-CE1 3.59Å; L50-F66 HydrophobicContact CD1-CZ 3.66Å; L50-F66 HydrophobicContact CG-CE1 4.42Å; L50-F66 HydrophobicContact CG-CZ 4.15Å
51L97.4Very high95.9Very high1 Ų149.2 Ų49.21%0.00525%0.247CC..Hα-helixtrans-65.7-42.8169.8-78.2179.9000112.3T49 S54 A55 V63 F66 L67 A71 P73 A84T49-L51 PolarHBondContact O-N 3.48Å; T49-L51 PolarHBondContact OG1-N 3.1Å; L51-S54 WeakPolarHBondContact CA-OG 3.47Å; L51-S54 PolarHBondContact O-OG 3.22Å; L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 2.67Å; L51-V63 HydrophobicContact CD2-CG1 4.08Å; L51-F66 HydrophobicContact CD2-CB 3.73Å; L51-F66 HydrophobicContact CD2-CD2 4.41Å; L51-F66 HydrophobicContact CG-CB 4.23Å; L51-L67 HydrophobicContact CD1-CD2 4.07Å; L51-L67 HydrophobicContact CD2-CD2 4.29Å; L51-L67 HydrophobicContact CD2-CG 4.3Å; L51-A71 HydrophobicContact CD1-CB 3.49Å; L51-A71 VanDerWaalsContact CD1-CB 3.49Å; L51-A71 HydrophobicContact CD2-CB 4.27Å; L51-A71 HydrophobicContact CG-CB 3.73Å; L51-P73 HydrophobicContact CD1-CB 4.07Å; L51-A84 HydrophobicContact CB-CB 3.95Å
52H98.1Very high96.1Very high1 Ų146.6 Ų46.61%0.00523%0.234CC..Hα-helixtrans-59.1-50.7175-6782.4000110.7W48 T49 S54 A55 A56 V75 F82 A84 Y87W48-H52 HydrophobicContact CB-CB 4.2Å; W48-H52 HydrophobicContact CD2-CB 3.96Å; W48-H52 HydrophobicContact CE3-CB 4.03Å; W48-H52 HydrophobicContact CG-CB 4.06Å; T49-H52 PolarHBondContact N-ND1 3.26Å; T49-H52 VanDerWaalsContact N-ND1 3.2Å; T49-H52 WeakPolarHBondContact O-CB 3.36Å; T49-H52 PolarHBondContact O-N 3.06Å; T49-H52 PolarHBondContact OG1-ND1 3.01Å; H52-S54 PolarHBondContact O-N 2.91Å; H52-A55 PolarHBondContact O-N 2.68Å; H52-A56 WeakPolarHBondContact O-CB 2.92Å; H52-A56 PolarHBondContact O-N 3.29Å; H52-V75 PolarHBondContact CE1-O 3.27Å; H52-V75 PolarHBondContact NE2-O 3.14Å; H52-V75 VanDerWaalsContact NE2-O 3.16Å; H52-F82 PolarHBondContact NE2-O 3.02Å; H52-A84 PolarHBondContact NE2-N 2.99Å; H52-Y87 HydrophobicContact CB-CD2 4.47Å; H52-Y87 AromaticContact CD2-CD2 3.7Å; H52-Y87 AromaticContact CD2-CE2 3.69Å
53F96.8Very high96.3Very high32 Ų3245.1 Ų45.114%0.1422%0.218CC..Hα-helixtrans-62.1-47.1-178.1-173.5-102.4000112.5V22 A23 W48 T49 A56 R57V22-F53 HydrophobicContact CB-CD1 4.08Å; V22-F53 HydrophobicContact CB-CE1 4.14Å; V22-F53 HydrophobicContact CG1-CD1 3.61Å; V22-F53 HydrophobicContact CG1-CE1 3.98Å; A23-F53 HydrophobicContact CB-CE1 4.06Å; A23-F53 HydrophobicContact CB-CZ 4.12Å; W48-F53 HydrophobicContact CE3-CB 4.26Å; W48-F53 HydrophobicContact CE3-CD2 4.41Å; W48-F53 HydrophobicContact CZ3-CB 4.5Å; W48-F53 HydrophobicContact CZ3-CD2 4.23Å; T49-F53 PolarHBondContact O-N 3.14Å; F53-A56 PolarHBondContact O-N 2.87Å; F53-R57 VanDerWaalsContact CZ-CZ 3.4Å; F53-R57 WeakPolarHBondContact O-CB 3.44Å; F53-R57 WeakPolarHBondContact O-CG 3.49Å; F53-R57 PolarHBondContact O-N 2.58Å
54S97.4Very high96.5Very high0 Ų043.7 Ų43.70%021%0.212CC..Hα-helixtrans-68.3-37.3179.157.40000112.6L50 L51 H52 R57 G58 K59 V63L50-S54 VanDerWaalsContact O-CB 3.24Å; L50-S54 WeakPolarHBondContact O-CB 3.17Å; L50-S54 PolarHBondContact O-N 3.19Å; L50-S54 PolarHBondContact O-OG 2.93Å; L51-S54 WeakPolarHBondContact CA-OG 3.47Å; L51-S54 PolarHBondContact O-OG 3.22Å; H52-S54 PolarHBondContact O-N 2.91Å; S54-R57 PolarHBondContact O-N 3.2Å; S54-G58 PolarHBondContact O-N 2.82Å; S54-K59 PolarHBondContact O-N 3.12Å; S54-V63 VanDerWaalsContact OG-CG2 3.26Å; S54-V63 WeakPolarHBondContact OG-CG2 3.32Å
55A97.8Very high96.8Very high0 Ų041.7 Ų41.70%020%0.202CC..Hα-helixtrans-63.7-47.3174.200000111.9L51 H52 R57 G58 A84 A88 R93 I96 M100L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 2.67Å; H52-A55 PolarHBondContact O-N 2.68Å; A55-R57 PolarHBondContact O-N 3.43Å; A55-G58 PolarHBondContact O-N 3.22Å; A55-A84 HydrophobicContact CB-CB 4.15Å; A55-A84 WeakPolarHBondContact CB-O 3.21Å; A55-A88 HydrophobicContact CB-CB 4.33Å; A55-R93 WeakPolarHBondContact O-CG 3.28Å; A55-I96 HydrophobicContact CB-CG2 4.09Å; A55-M100 HydrophobicContact CB-CE 4.34Å
56A97.1Very high97Very high12 Ų1237.1 Ų37.110%0.09916%0.164CC..Hα-helixtrans-60.7-45.2176.900000111.8W48 H52 F53 G58 Y87W48-A56 HydrophobicContact CH2-CB 4.39Å; W48-A56 HydrophobicContact CZ3-CB 4.48Å; H52-A56 WeakPolarHBondContact O-CB 2.92Å; H52-A56 PolarHBondContact O-N 3.29Å; F53-A56 PolarHBondContact O-N 2.87Å; A56-G58 VanDerWaalsContact C-N 3.31Å; A56-G58 PolarHBondContact O-N 3.47Å; A56-Y87 HydrophobicContact CB-CD1 4.37Å
57R96.1Very high97.1Very high136 Ų13635.1 Ų35.151%0.51315%0.153SC..Hα-helixtrans-80.7-2.5-178.5-67.1-158.1175-1622.9115.1F53 S54 A55 K59F53-R57 VanDerWaalsContact CZ-CZ 3.4Å; F53-R57 WeakPolarHBondContact O-CB 3.44Å; F53-R57 WeakPolarHBondContact O-CG 3.49Å; F53-R57 PolarHBondContact O-N 2.58Å; S54-R57 PolarHBondContact O-N 3.2Å; A55-R57 PolarHBondContact O-N 3.43Å; R57-K59 HydrophobicContact CB-CG 3.96Å
58G96.9Very high97.1Very high28 Ų2840.3 Ų40.329%0.28918%0.177SC..THydrogen-bonded Turntrans72.528.3177.900000114S54 A55 A56 E60S54-G58 PolarHBondContact O-N 2.82Å; A55-G58 PolarHBondContact O-N 3.22Å; A56-G58 VanDerWaalsContact C-N 3.31Å; A56-G58 PolarHBondContact O-N 3.47Å; G58-E60 VanDerWaalsContact C-N 3.32Å; G58-E60 PolarHBondContact O-N 3.21Å; G58-E60 VanDerWaalsContact O-N 3.1Å
59K97.7Very high97.1Very high53 Ų5340.7 Ų40.723%0.2318%0.181CC..  trans-8869.3-176.9-57.8-64.4-173.81730111.2V22 A23 S54 R57 R61 C62 V63V22-K59 HydrophobicContact CG1-CB 4.38Å; V22-K59 HydrophobicContact CG1-CG 4.32Å; V22-K59 WeakPolarHBondContact O-CD 3.32Å; V22-K59 WeakPolarHBondContact O-CE 3.26Å; V22-K59 VanDerWaalsContact O-CG 3.31Å; V22-K59 WeakPolarHBondContact O-CG 3.21Å; A23-K59 WeakPolarHBondContact O-CE 3.44Å; A23-K59 PolarHBondContact O-NZ 2.69Å; S54-K59 PolarHBondContact O-N 3.12Å; R57-K59 HydrophobicContact CB-CG 3.96Å; K59-R61 VanDerWaalsContact C-N 3.34Å; K59-R61 PolarHBondContact O-N 3.45Å; K59-C62 HydrophobicContact CB-CB 4.01Å; K59-C62 WeakPolarHBondContact O-CB 3.47Å; K59-C62 PolarHBondContact O-N 3.44Å; K59-V63 PolarHBondContact O-N 3.29Å
60E97.3Very high97Very high55 Ų5542.4 Ų42.426%0.25720%0.199SC..Hα-helixtrans-52.2-45.6-173.4-173.3-170.5140.100113.9G58 C62 V63 R64 R95 I96 L99G58-E60 VanDerWaalsContact C-N 3.32Å; G58-E60 PolarHBondContact O-N 3.21Å; G58-E60 VanDerWaalsContact O-N 3.1Å; E60-C62 PolarHBondContact O-N 3.49Å; E60-V63 PolarHBondContact O-N 2.88Å; E60-R64 PolarHBondContact O-N 3.23Å; E60-R95 HydrophobicContact CG-CB 4.35Å; E60-R95 VanDerWaalsContact OE2-CB 3.27Å; E60-R95 WeakPolarHBondContact OE2-CB 3.33Å; E60-R95 WeakPolarHBondContact OE2-CD 3.47Å; E60-I96 HydrophobicContact CB-CD1 4.47Å; E60-I96 HydrophobicContact CB-CG1 3.97Å; E60-I96 HydrophobicContact CG-CG1 4.23Å; E60-L99 HydrophobicContact CG-CD1 3.7Å
61R97.8Very high97Very high193 Ų19342 Ų4273%0.72820%0.197SC*.Hα-helixtrans-66.9-36.6179.8-63.4-177179.6168-1.4112.5V27 K59 R64 V65V27-R61 HydrophobicContact CG2-CB 3.5Å; V27-R61 VanDerWaalsContact CG2-CB 3.5Å; K59-R61 VanDerWaalsContact C-N 3.34Å; K59-R61 PolarHBondContact O-N 3.45Å; R61-R64 PolarHBondContact O-N 2.93Å; R61-V65 WeakPolarHBondContact O-CG2 3.28Å; R61-V65 PolarHBondContact O-N 3.34Å; R61-V65 VanDerWaalsContact O-N 3.1Å
62C97.6Very high97Very high1 Ų144 Ų441%0.00721%0.208CC..Hα-helixtrans-66.3-43.6175.1-60.50000110.8V22 K59 E60 R64 V65 F66V22-C62 HydrophobicContact CG1-CB 4.29Å; K59-C62 HydrophobicContact CB-CB 4.01Å; K59-C62 WeakPolarHBondContact O-CB 3.47Å; K59-C62 PolarHBondContact O-N 3.44Å; E60-C62 PolarHBondContact O-N 3.49Å; C62-R64 VanDerWaalsContact C-N 3.28Å; C62-R64 PolarHBondContact O-N 3.38Å; C62-V65 PolarHBondContact O-N 3.4Å; C62-V65 VanDerWaalsContact O-N 3.17Å; C62-F66 HydrophobicContact CB-CD2 4.31Å; C62-F66 HydrophobicContact CB-CE2 3.89Å; C62-F66 WeakPolarHBondContact O-CD2 3.42Å; C62-F66 WeakPolarHBondContact O-CG 3.39Å; C62-F66 PolarHBondContact O-N 2.97Å
63V97.8Very high97Very high0 Ų044 Ų440%021%0.208CC..Hα-helixtrans-54-47.5174.3172.10000110.7L51 S54 K59 E60 V65 F66 L67 I96L51-V63 HydrophobicContact CD2-CG1 4.08Å; S54-V63 VanDerWaalsContact OG-CG2 3.26Å; S54-V63 WeakPolarHBondContact OG-CG2 3.32Å; K59-V63 PolarHBondContact O-N 3.29Å; E60-V63 PolarHBondContact O-N 2.88Å; V63-V65 PolarHBondContact O-N 3.4Å; V63-F66 PolarHBondContact O-N 3.11Å; V63-L67 HydrophobicContact CG1-CD1 3.92Å; V63-L67 HydrophobicContact CG1-CG 4.37Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.2Å; V63-I96 HydrophobicContact CG1-CG2 4.31Å; V63-I96 HydrophobicContact CG2-CD1 4.08Å; V63-I96 HydrophobicContact CG2-CG1 4.18Å; V63-I96 HydrophobicContact CG2-CG2 4.03Å
64R97.3Very high97Very high115 Ų11544.8 Ų44.843%0.43422%0.215SC..Hα-helixtrans-57.1-50.3177.3-172.6-172.6-60.4-105.8-1.6111.8E60 R61 C62 F66 L67 E68 L99E60-R64 PolarHBondContact O-N 3.23Å; R61-R64 PolarHBondContact O-N 2.93Å; C62-R64 VanDerWaalsContact C-N 3.28Å; C62-R64 PolarHBondContact O-N 3.38Å; R64-F66 VanDerWaalsContact C-N 3.32Å; R64-F66 PolarHBondContact O-N 2.95Å; R64-L67 PolarHBondContact O-N 3.4Å; R64-E68 WeakPolarHBondContact CG-OE1 3.32Å; R64-E68 WeakPolarHBondContact O-CG 3.48Å; R64-E68 PolarHBondContact O-N 3.26Å; R64-L99 HydrophobicContact CB-CD1 4.24Å
65V97.6Very high97Very high4 Ų445 Ų452%0.02422%0.217CC..Hα-helixtrans-61.9-40.1179.3173.60000111.8V27 V30 R31 L34 R61 C62 V63 E68 H69V27-V65 HydrophobicContact CG1-CG2 3.49Å; V27-V65 VanDerWaalsContact CG1-CG2 3.49Å; V30-V65 HydrophobicContact CG1-CG1 4.21Å; R31-V65 HydrophobicContact CB-CG1 4.27Å; R31-V65 VanDerWaalsContact NH2-CG2 3.35Å; L34-V65 HydrophobicContact CD1-CG1 3.75Å; R61-V65 WeakPolarHBondContact O-CG2 3.28Å; R61-V65 PolarHBondContact O-N 3.34Å; R61-V65 VanDerWaalsContact O-N 3.1Å; C62-V65 PolarHBondContact O-N 3.4Å; C62-V65 VanDerWaalsContact O-N 3.17Å; V63-V65 PolarHBondContact O-N 3.4Å; V65-E68 PolarHBondContact O-N 2.93Å; V65-H69 PolarHBondContact O-N 3.44Å; V65-H69 PolarHBondContact O-ND1 3.4Å
66F97.3Very high97.1Very high0 Ų049.2 Ų49.20%024%0.235CC..Hα-helixtrans-62.5-46.8176.2-69.6-47.1000111.9V22 V30 L34 P40 L50 L51 C62 V63 R64 E68 H69 G70 A71V22-F66 HydrophobicContact CG1-CE2 4.49Å; V22-F66 HydrophobicContact CG2-CE2 3.73Å; V22-F66 HydrophobicContact CG2-CZ 3.46Å; V22-F66 VanDerWaalsContact CG2-CZ 3.46Å; V30-F66 HydrophobicContact CG1-CD1 4.31Å; V30-F66 HydrophobicContact CG1-CE1 3.5Å; V30-F66 HydrophobicContact CG1-CE2 4.42Å; V30-F66 HydrophobicContact CG1-CZ 3.56Å; V30-F66 HydrophobicContact CG2-CZ 4.47Å; L34-F66 HydrophobicContact CD1-CD1 3.82Å; L34-F66 HydrophobicContact CD1-CE1 4.01Å; L34-F66 HydrophobicContact CD2-CD1 4.31Å; L34-F66 HydrophobicContact CD2-CE1 4.27Å; L34-F66 HydrophobicContact CG-CE1 4.49Å; P40-F66 HydrophobicContact CB-CD1 4.27Å; L50-F66 HydrophobicContact CB-CD1 4.42Å; L50-F66 HydrophobicContact CB-CD2 4.2Å; L50-F66 HydrophobicContact CB-CE1 3.96Å; L50-F66 HydrophobicContact CB-CE2 3.69Å; L50-F66 HydrophobicContact CB-CZ 3.58Å; L50-F66 HydrophobicContact CD1-CE1 3.59Å; L50-F66 HydrophobicContact CD1-CZ 3.66Å; L50-F66 HydrophobicContact CG-CE1 4.42Å; L50-F66 HydrophobicContact CG-CZ 4.15Å; L51-F66 HydrophobicContact CD2-CB 3.73Å; L51-F66 HydrophobicContact CD2-CD2 4.41Å; L51-F66 HydrophobicContact CG-CB 4.23Å; C62-F66 HydrophobicContact CB-CD2 4.31Å; C62-F66 HydrophobicContact CB-CE2 3.89Å; C62-F66 WeakPolarHBondContact O-CD2 3.42Å; C62-F66 WeakPolarHBondContact O-CG 3.39Å; C62-F66 PolarHBondContact O-N 2.97Å; V63-F66 PolarHBondContact O-N 3.11Å; R64-F66 VanDerWaalsContact C-N 3.32Å; R64-F66 PolarHBondContact O-N 2.95Å; F66-E68 VanDerWaalsContact C-N 3.34Å; F66-E68 PolarHBondContact O-N 3.37Å; F66-H69 CarbonylContact O-C 3.2Å; F66-H69 PolarHBondContact O-N 3.26Å; F66-H69 VanDerWaalsContact O-N 3.1Å; F66-G70 PolarHBondContact O-N 2.73Å; F66-A71 VanDerWaalsContact C-CB 3.42Å; F66-A71 HydrophobicContact CB-CB 3.7Å; F66-A71 WeakPolarHBondContact O-CB 3.48Å; F66-A71 PolarHBondContact O-N 3.11Å
67L96.4Very high97.1Very high37 Ų3749 Ų4919%0.19423%0.232CC..Hα-helixtrans-61.9-41176.5-66.1172.8000111.8L51 V63 R64 H69 G70 P73 L99 M100L51-L67 HydrophobicContact CD1-CD2 4.07Å; L51-L67 HydrophobicContact CD2-CD2 4.29Å; L51-L67 HydrophobicContact CD2-CG 4.3Å; V63-L67 HydrophobicContact CG1-CD1 3.92Å; V63-L67 HydrophobicContact CG1-CG 4.37Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.2Å; R64-L67 PolarHBondContact O-N 3.4Å; L67-H69 PolarHBondContact O-N 3.45Å; L67-G70 PolarHBondContact O-N 2.85Å; L67-G70 VanDerWaalsContact O-N 3.14Å; L67-P73 HydrophobicContact CD2-CB 4.45Å; L67-P73 HydrophobicContact CD2-CG 4.35Å; L67-L99 HydrophobicContact CD1-CB 4.41Å; L67-M100 HydrophobicContact CD1-CG 4.26Å
68E95.6Very high97.2Very high110 Ų11048.4 Ų48.451%0.51424%0.239SC..Hα-helixtrans-58.9-26.6174.5-74.8168.9-172.100113.2R31 R64 V65 F66R31-E68 IonicContact CZ-OE2 3.81Å; R31-E68 IonicContact NH1-OE2 2.94Å; R31-E68 IonicContact NH2-OE2 3.21Å; R31-E68 PolarHBondContact NH2-OE2 3Å; R64-E68 WeakPolarHBondContact CG-OE1 3.32Å; R64-E68 WeakPolarHBondContact O-CG 3.48Å; R64-E68 PolarHBondContact O-N 3.26Å; V65-E68 PolarHBondContact O-N 2.93Å; F66-E68 VanDerWaalsContact C-N 3.34Å; F66-E68 PolarHBondContact O-N 3.37Å
69H96.3Very high97.2Very high64 Ų6452.6 Ų52.630%0.29625%0.253SS..THydrogen-bonded Turntrans-103.720.4179.9-65.372.9000112.8L34 P40 V65 F66 L67L34-H69 HydrophobicContact CD1-CB 4.05Å; P40-H69 WeakPolarHBondContact CG-O 3.43Å; V65-H69 PolarHBondContact O-N 3.44Å; V65-H69 PolarHBondContact O-ND1 3.4Å; F66-H69 CarbonylContact O-C 3.2Å; F66-H69 PolarHBondContact O-N 3.26Å; F66-H69 VanDerWaalsContact O-N 3.1Å; L67-H69 PolarHBondContact O-N 3.45Å
70G94.8Very high97.1Very high39 Ų3950.7 Ų50.740%0.40225%0.249SC..THydrogen-bonded Turntrans79.427.1173.200000114.7N41 F66 L67 D72N41-G70 PolarHBondContact ND2-O 3.04Å; F66-G70 PolarHBondContact O-N 2.73Å; L67-G70 PolarHBondContact O-N 2.85Å; L67-G70 VanDerWaalsContact O-N 3.14Å; G70-D72 PolarHBondContact O-N 3.21Å
71A96.6Very high97.2Very high0 Ų048.1 Ų48.10%024%0.237CC..  trans-65.9130.5168.200000110.7P40 N41 L51 F66 P73P40-A71 HydrophobicContact CB-CB 3.89Å; P40-A71 HydrophobicContact CG-CB 4.41Å; N41-A71 WeakPolarHBondContact OD1-CA 3.43Å; L51-A71 HydrophobicContact CD1-CB 3.49Å; L51-A71 VanDerWaalsContact CD1-CB 3.49Å; L51-A71 HydrophobicContact CD2-CB 4.27Å; L51-A71 HydrophobicContact CG-CB 3.73Å; F66-A71 VanDerWaalsContact C-CB 3.42Å; F66-A71 HydrophobicContact CB-CB 3.7Å; F66-A71 WeakPolarHBondContact O-CB 3.48Å; F66-A71 PolarHBondContact O-N 3.11Å; A71-P73 VanDerWaalsContact O-CD 3.32Å; A71-P73 WeakPolarHBondContact O-CD 3.26Å
72D97Very high97.2Very high44 Ų4440.6 Ų40.624%0.23521%0.21CC..  trans-89.2110-178.3177.54.2000110.3N41 G70 T74 V75N41-D72 PolarHBondContact OD1-N 3.45Å; G70-D72 PolarHBondContact O-N 3.21Å; D72-T74 VanDerWaalsContact CG-OG1 3.23Å; D72-T74 PolarHBondContact O-N 3.3Å; D72-T74 WeakPolarHBondContact OD1-CA 3.36Å; D72-T74 VanDerWaalsContact OD1-CB 3.22Å; D72-T74 WeakPolarHBondContact OD1-CB 3.48Å; D72-T74 VanDerWaalsContact OD1-CG2 3.3Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.41Å; D72-T74 PolarHBondContact OD1-N 3.18Å; D72-T74 PolarHBondContact OD1-OG1 3.18Å; D72-T74 PolarHBondContact OD2-OG1 2.87Å; D72-T74 VanDerWaalsContact OD2-OG1 3.12Å; D72-V75 HydrophobicContact CB-CG2 4.05Å; D72-V75 WeakPolarHBondContact O-CG2 3.43Å
73P97.3Very high97.3Very high1 Ų140.6 Ų40.61%0.00621%0.21CC..THydrogen-bonded Turntrans-78.6-4.7178.935.1-36.7000113.3L51 L67 A71 V75 M100 Y105 I109L51-P73 HydrophobicContact CD1-CB 4.07Å; L67-P73 HydrophobicContact CD2-CB 4.45Å; L67-P73 HydrophobicContact CD2-CG 4.35Å; A71-P73 VanDerWaalsContact O-CD 3.32Å; A71-P73 WeakPolarHBondContact O-CD 3.26Å; P73-V75 VanDerWaalsContact C-N 3.32Å; P73-M100 HydrophobicContact CB-CG 4.49Å; P73-M100 HydrophobicContact CB-SD 4.16Å; P73-Y105 VanDerWaalsContact CG-CB 3.43Å; P73-Y105 HydrophobicContact CG-CD1 4.14Å; P73-Y105 HydrophobicContact CG-CD2 3.41Å; P73-Y105 VanDerWaalsContact CG-CD2 3.41Å; P73-Y105 HydrophobicContact CG-CE2 4.16Å; P73-Y105 HydrophobicContact CG-CG 3.39Å; P73-I109 HydrophobicContact CB-CD1 4.5Å; P73-I109 HydrophobicContact CB-CG2 4.31Å; P73-I109 HydrophobicContact CG-CG2 4.26Å
74T98.1Very high97.3Very high48 Ų4840.6 Ų40.629%0.29421%0.21SC..THydrogen-bonded Turntrans-81.2-15.6179.2770000112.7D72 K76 Y105 D108 I109D72-T74 VanDerWaalsContact CG-OG1 3.23Å; D72-T74 PolarHBondContact O-N 3.3Å; D72-T74 WeakPolarHBondContact OD1-CA 3.36Å; D72-T74 VanDerWaalsContact OD1-CB 3.22Å; D72-T74 WeakPolarHBondContact OD1-CB 3.48Å; D72-T74 VanDerWaalsContact OD1-CG2 3.3Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.41Å; D72-T74 PolarHBondContact OD1-N 3.18Å; D72-T74 PolarHBondContact OD1-OG1 3.18Å; D72-T74 PolarHBondContact OD2-OG1 2.87Å; D72-T74 VanDerWaalsContact OD2-OG1 3.12Å; T74-K76 PolarHBondContact O-N 3.42Å; T74-Y105 HydrophobicContact CG2-CD1 3.8Å; T74-Y105 HydrophobicContact CG2-CG 4.45Å; T74-D108 HydrophobicContact CG2-CB 3.63Å; T74-I109 HydrophobicContact CG2-CG2 3.97Å
75V98Very high97.4Very high6 Ų635.1 Ų35.14%0.03619%0.189CC..  trans-55.9133177.6178.40000110.3R43 T49 H52 D72 P73 T83R43-V75 VanDerWaalsContact CZ-CG1 3.42Å; T49-V75 HydrophobicContact CG2-CB 4.04Å; T49-V75 HydrophobicContact CG2-CG1 3.67Å; T49-V75 HydrophobicContact CG2-CG2 4.26Å; H52-V75 PolarHBondContact CE1-O 3.27Å; H52-V75 PolarHBondContact NE2-O 3.14Å; H52-V75 VanDerWaalsContact NE2-O 3.16Å; D72-V75 HydrophobicContact CB-CG2 4.05Å; D72-V75 WeakPolarHBondContact O-CG2 3.43Å; P73-V75 VanDerWaalsContact C-N 3.32Å; V75-T83 WeakPolarHBondContact O-CA 3.24Å
76K98.3Very high97.4Very high88 Ų8835 Ų3538%0.38319%0.188SC..BIsolated β-bridgetrans-104.2142.9173.6-67.4177.7170.7-177.40110.4T74 G81 F82 T83 K113T74-K76 PolarHBondContact O-N 3.42Å; K76-G81 WeakPolarHBondContact CD-O 3Å; K76-G81 WeakPolarHBondContact CG-O 3.33Å; K76-F82 WeakPolarHBondContact CA-O 3.48Å; K76-T83 HydrophobicContact CG-CG2 3.78Å; K76-K113 WeakPolarHBondContact CE-O 3.43Å; K76-K113 PolarHBondContact NZ-O 3.42Å
77D97.9Very high97.5Very high6 Ų636.1 Ų36.13%0.03219%0.193CC..  trans-64.6165.8166.775.539.6000112I79 G80 G81 F82 Y87D77-I79 PolarHBondContact OD1-N 3.2Å; D77-G80 PolarHBondContact OD1-N 2.98Å; D77-G81 WeakPolarHBondContact O-CA 3.49Å; D77-G81 PolarHBondContact OD1-N 3.08Å; D77-F82 PolarHBondContact N-O 2.96Å; D77-F82 PolarHBondContact OD1-N 3.24Å; D77-F82 WeakPolarHBondContact OD2-CB 3.31Å; D77-Y87 WeakPolarHBondContact OD2-CE2 3.24Å; D77-Y87 PolarHBondContact OD2-OH 3.46Å
78L98.1Very high97.6Very high124 Ų12434.4 Ų34.465%0.64918%0.184SC*.SBendtrans-88.9-8.3179.9-65.4174.9000113.6N46N46-L78 PolarHBondContact O-N 3.3Å
79I96.7Very high97.8Very high116 Ų11629.1 Ų29.160%0.59516%0.159SC*.SBendtrans-91.5-65-173.3-57.5175.7000109.8N46 D77N46-I79 HydrophobicContact CB-CD1 3.84Å; N46-I79 HydrophobicContact CB-CG1 4.25Å; D77-I79 PolarHBondContact OD1-N 3.2Å
80G96.6Very high97.9Very high14 Ų1427.7 Ų27.714%0.14415%0.153CC..SBendtrans-106.6-6.2-177.500000113.3D77 F82 S114 N115D77-G80 PolarHBondContact OD1-N 2.98Å; G80-F82 VanDerWaalsContact C-N 3.26Å; G80-S114 VanDerWaalsContact O-CB 3.28Å; G80-S114 WeakPolarHBondContact O-CB 3.28Å; G80-N115 WeakPolarHBondContact O-CB 2.85Å; G80-N115 PolarHBondContact O-N 3.35Å
81G98.3Very high98Very high1 Ų129.4 Ų29.41%0.0115%0.15CC..  trans70.524.1-172.200000112.5K76 D77 S114 N115K76-G81 WeakPolarHBondContact CD-O 3Å; K76-G81 WeakPolarHBondContact CG-O 3.33Å; D77-G81 WeakPolarHBondContact O-CA 3.49Å; D77-G81 PolarHBondContact OD1-N 3.08Å; G81-S114 WeakPolarHBondContact O-CA 3.41Å; G81-N115 WeakPolarHBondContact CA-OD1 3.49Å; G81-N115 PolarHBondContact N-ND2 2.93Å
82F98.6Very high98.1Very high35 Ų3530.8 Ų30.815%0.15417%0.165CC..  trans-81.5140.4-178.8-69.7-51.9000111.4H52 K76 D77 G80 H86 Y87 S114 V123H52-F82 PolarHBondContact NE2-O 3.02Å; K76-F82 WeakPolarHBondContact CA-O 3.48Å; D77-F82 PolarHBondContact N-O 2.96Å; D77-F82 PolarHBondContact OD1-N 3.24Å; D77-F82 WeakPolarHBondContact OD2-CB 3.31Å; G80-F82 VanDerWaalsContact C-N 3.26Å; F82-H86 HydrophobicContact CB-CB 3.82Å; F82-H86 HydrophobicContact CD1-CB 3.61Å; F82-H86 AromaticContact CD1-CD2 3.5Å; F82-H86 VanDerWaalsContact CD1-CD2 3.5Å; F82-H86 WeakPolarHBondContact CD1-CD2 3.36Å; F82-H86 AromaticContact CD1-CG 3.57Å; F82-H86 HydrophobicContact CE1-CB 4.5Å; F82-H86 AromaticContact CE1-CD2 3.95Å; F82-H86 HydrophobicContact CG-CB 3.99Å; F82-Y87 HydrophobicContact CB-CD2 4.21Å; F82-Y87 HydrophobicContact CB-CE2 3.68Å; F82-S114 VanDerWaalsContact CD1-CB 3.46Å; F82-V123 HydrophobicContact CE1-CG2 4.04Å
83T98.6Very high98.2Very high1 Ų133.4 Ų33.41%0.00617%0.171CC..BIsolated β-bridgetrans-88.7169.4169.567.90000111.3V75 K76 L85 H86 Y87 A112V75-T83 WeakPolarHBondContact O-CA 3.24Å; K76-T83 HydrophobicContact CG-CG2 3.78Å; T83-L85 PolarHBondContact O-N 2.75Å; T83-L85 VanDerWaalsContact O-N 3.14Å; T83-L85 PolarHBondContact OG1-N 2.96Å; T83-H86 PolarHBondContact N-ND1 3.02Å; T83-H86 VanDerWaalsContact N-ND1 3.19Å; T83-H86 WeakPolarHBondContact O-CB 3.24Å; T83-H86 PolarHBondContact O-N 2.87Å; T83-H86 PolarHBondContact OG1-ND1 3.33Å; T83-Y87 WeakPolarHBondContact O-CD2 3.12Å; T83-Y87 PolarHBondContact O-N 3.38Å; T83-A112 HydrophobicContact CG2-CB 4.17Å
84A98.4Very high98.1Very high0 Ų034.7 Ų34.70%018%0.182CC..Hα-helixtrans-54.3-33.6173.100000113.1L51 H52 A55 H86 Y87 A88 M100L51-A84 HydrophobicContact CB-CB 3.95Å; H52-A84 PolarHBondContact NE2-N 2.99Å; A55-A84 HydrophobicContact CB-CB 4.15Å; A55-A84 WeakPolarHBondContact CB-O 3.21Å; A84-H86 PolarHBondContact O-N 3.38Å; A84-Y87 PolarHBondContact O-N 2.88Å; A84-A88 PolarHBondContact O-N 3.39Å; A84-M100 HydrophobicContact CB-CE 4.35Å; A84-M100 HydrophobicContact CB-SD 3.92Å
85L98.8Very high98.1Very high0 Ų041.1 Ų41.10%020%0.201CC..Hα-helixtrans-67.9-32.8177.5-172.963.3000112.6T83 A88 A89 A97 M100 L101 I109 P120 F132 L136T83-L85 PolarHBondContact O-N 2.75Å; T83-L85 VanDerWaalsContact O-N 3.14Å; T83-L85 PolarHBondContact OG1-N 2.96Å; L85-A88 PolarHBondContact O-N 2.9Å; L85-A89 WeakPolarHBondContact O-CB 3.48Å; L85-A89 PolarHBondContact O-N 3.49Å; L85-A97 HydrophobicContact CD1-CB 3.56Å; L85-M100 HydrophobicContact CB-CE 4.37Å; L85-M100 HydrophobicContact CB-SD 4.35Å; L85-M100 HydrophobicContact CD1-CE 4.15Å; L85-L101 HydrophobicContact CD2-CD2 3.86Å; L85-L101 HydrophobicContact CD2-CG 4.4Å; L85-I109 HydrophobicContact CD2-CB 4.21Å; L85-I109 HydrophobicContact CD2-CD1 4.11Å; L85-I109 HydrophobicContact CD2-CG1 3.88Å; L85-P120 HydrophobicContact CB-CG 4.43Å; L85-P120 HydrophobicContact CD2-CB 4.24Å; L85-P120 HydrophobicContact CD2-CG 3.88Å; L85-P120 HydrophobicContact CG-CB 4.1Å; L85-P120 HydrophobicContact CG-CG 3.99Å; L85-F132 HydrophobicContact CD1-CE1 4.43Å; L85-F132 HydrophobicContact CD1-CZ 3.85Å; L85-L136 HydrophobicContact CD2-CD2 4.42Å
86H98.8Very high98.1Very high1 Ų141 Ų411%0.00520%0.2CC..Hα-helixtrans-65-42.6173.3-69.287.8000111.6F82 T83 A84 A89 M90 A112 W118 P120F82-H86 HydrophobicContact CB-CB 3.82Å; F82-H86 HydrophobicContact CD1-CB 3.61Å; F82-H86 AromaticContact CD1-CD2 3.5Å; F82-H86 VanDerWaalsContact CD1-CD2 3.5Å; F82-H86 WeakPolarHBondContact CD1-CD2 3.36Å; F82-H86 AromaticContact CD1-CG 3.57Å; F82-H86 HydrophobicContact CE1-CB 4.5Å; F82-H86 AromaticContact CE1-CD2 3.95Å; F82-H86 HydrophobicContact CG-CB 3.99Å; T83-H86 PolarHBondContact N-ND1 3.02Å; T83-H86 VanDerWaalsContact N-ND1 3.19Å; T83-H86 WeakPolarHBondContact O-CB 3.24Å; T83-H86 PolarHBondContact O-N 2.87Å; T83-H86 PolarHBondContact OG1-ND1 3.33Å; A84-H86 PolarHBondContact O-N 3.38Å; H86-A89 CarbonylContact O-C 3.56Å; H86-A89 WeakPolarHBondContact O-CB 3.43Å; H86-A89 PolarHBondContact O-N 2.91Å; H86-A89 VanDerWaalsContact O-N 3.16Å; H86-M90 PolarHBondContact O-N 3.5Å; H86-A112 PolarHBondContact CE1-O 3.12Å; H86-A112 PolarHBondContact NE2-O 2.85Å; H86-A112 VanDerWaalsContact NE2-O 3.13Å; H86-W118 PolarHBondContact NE2-O 3.24Å; H86-P120 WeakPolarHBondContact NE2-CD 3.21Å
87Y98.6Very high98.1Very high24 Ų2436.9 Ų36.99%0.09418%0.182CC..Hα-helixtrans-66.4-39.4175.4-75-74.9000112.2W48 H52 A56 D77 F82 T83 A84 A89 M90 H91W48-Y87 AromaticContact CE2-CZ 3.72Å; W48-Y87 HydrophobicContact CH2-CD1 4.41Å; W48-Y87 HydrophobicContact CH2-CE1 4.01Å; W48-Y87 HydrophobicContact CZ2-CD1 4.26Å; W48-Y87 AromaticContact CZ2-CE1 3.48Å; W48-Y87 HydrophobicContact CZ2-CE1 3.48Å; W48-Y87 VanDerWaalsContact CZ2-CE1 3.48Å; W48-Y87 HydrophobicContact CZ2-CE2 4.08Å; W48-Y87 AromaticContact CZ2-CZ 3.34Å; W48-Y87 VanDerWaalsContact CZ2-OH 3.26Å; W48-Y87 WeakPolarHBondContact CZ2-OH 3.47Å; W48-Y87 AromaticContact NE1-CZ 3.8Å; W48-Y87 PolarHBondContact NE1-OH 2.89Å; H52-Y87 HydrophobicContact CB-CD2 4.47Å; H52-Y87 AromaticContact CD2-CD2 3.7Å; H52-Y87 AromaticContact CD2-CE2 3.69Å; A56-Y87 HydrophobicContact CB-CD1 4.37Å; D77-Y87 WeakPolarHBondContact OD2-CE2 3.24Å; D77-Y87 PolarHBondContact OD2-OH 3.46Å; F82-Y87 HydrophobicContact CB-CD2 4.21Å; F82-Y87 HydrophobicContact CB-CE2 3.68Å; T83-Y87 WeakPolarHBondContact O-CD2 3.12Å; T83-Y87 PolarHBondContact O-N 3.38Å; A84-Y87 PolarHBondContact O-N 2.88Å; Y87-A89 VanDerWaalsContact C-N 3.27Å; Y87-A89 PolarHBondContact O-N 3.5Å; Y87-M90 PolarHBondContact O-N 2.86Å; Y87-H91 PolarHBondContact O-CD2 3.3Å; Y87-H91 VanDerWaalsContact O-CD2 3.3Å; Y87-H91 PolarHBondContact O-N 3.23Å; Y87-H91 VanDerWaalsContact O-N 3.16Å
88A98.7Very high98.1Very high0 Ų041.2 Ų41.20%020%0.198CC..Hα-helixtrans-58.7-41.7170.600000111.2A55 A84 L85 H91 G92 R93 I96 M100 F132A55-A88 HydrophobicContact CB-CB 4.33Å; A84-A88 PolarHBondContact O-N 3.39Å; L85-A88 PolarHBondContact O-N 2.9Å; A88-H91 PolarHBondContact O-N 3.42Å; A88-G92 PolarHBondContact O-N 3.5Å; A88-R93 HydrophobicContact CB-CB 4.16Å; A88-R93 PolarHBondContact O-N 3.36Å; A88-I96 HydrophobicContact CB-CG2 4.03Å; A88-M100 HydrophobicContact CB-CE 3.97Å; A88-F132 HydrophobicContact CB-CE2 3.82Å; A88-F132 HydrophobicContact CB-CZ 3.94Å; A88-F132 VanDerWaalsContact O-CE2 3.24Å; A88-F132 WeakPolarHBondContact O-CE2 3.18Å
89A98.8Very high98Very high0 Ų036.6 Ų36.60%017%0.173CC..Hα-helixtrans-64.4-43.9176.700000112.2L85 H86 Y87 H91 G92 P120 V123 A124 R129 F132L85-A89 WeakPolarHBondContact O-CB 3.48Å; L85-A89 PolarHBondContact O-N 3.49Å; H86-A89 CarbonylContact O-C 3.56Å; H86-A89 WeakPolarHBondContact O-CB 3.43Å; H86-A89 PolarHBondContact O-N 2.91Å; H86-A89 VanDerWaalsContact O-N 3.16Å; Y87-A89 VanDerWaalsContact C-N 3.27Å; Y87-A89 PolarHBondContact O-N 3.5Å; A89-H91 VanDerWaalsContact C-N 3.29Å; A89-H91 PolarHBondContact O-N 3.02Å; A89-G92 PolarHBondContact O-N 2.96Å; A89-P120 HydrophobicContact CB-CB 4.27Å; A89-P120 WeakPolarHBondContact CB-O 3.3Å; A89-V123 HydrophobicContact CB-CB 4.13Å; A89-V123 HydrophobicContact CB-CG1 4.09Å; A89-A124 HydrophobicContact CB-CB 4.19Å; A89-R129 WeakPolarHBondContact O-CG 3.39Å; A89-F132 VanDerWaalsContact CA-CE1 3.48Å; A89-F132 HydrophobicContact CB-CD1 3.85Å; A89-F132 HydrophobicContact CB-CE1 3.37Å; A89-F132 HydrophobicContact CB-CE2 4.4Å; A89-F132 HydrophobicContact CB-CZ 3.67Å
90M98.6Very high98.1Very high33 Ų3331.1 Ų31.116%0.16315%0.145CC..Hα-helixtrans-58-41.6178.1-177.3179.4-64.400112.1H86 Y87 V123 Y127 R129H86-M90 PolarHBondContact O-N 3.5Å; Y87-M90 PolarHBondContact O-N 2.86Å; M90-V123 HydrophobicContact CB-CG1 3.71Å; M90-Y127 HydrophobicContact CB-CD2 4.33Å; M90-Y127 HydrophobicContact CB-CE2 4.34Å; M90-Y127 HydrophobicContact CE-CE2 4.05Å; M90-Y127 HydrophobicContact CG-CD1 4.47Å; M90-Y127 HydrophobicContact CG-CD2 3.9Å; M90-Y127 HydrophobicContact CG-CE1 4.22Å; M90-Y127 HydrophobicContact CG-CE2 3.64Å; M90-Y127 HydrophobicContact CG-CG 4.32Å; M90-Y127 HydrophobicContact SD-CE2 4.39Å; M90-R129 PolarHBondContact O-NE 3.28Å; M90-R129 PolarHBondContact O-NH2 3.47Å
91H98.2Very high98.2Very high76 Ų7630.5 Ų30.535%0.35214%0.139SC..THydrogen-bonded Turntrans-97.94.6-177.5-63.5-70.5000114.2Y87 A88 A89 R93Y87-H91 PolarHBondContact O-CD2 3.3Å; Y87-H91 VanDerWaalsContact O-CD2 3.3Å; Y87-H91 PolarHBondContact O-N 3.23Å; Y87-H91 VanDerWaalsContact O-N 3.16Å; A88-H91 PolarHBondContact O-N 3.42Å; A89-H91 VanDerWaalsContact C-N 3.29Å; A89-H91 PolarHBondContact O-N 3.02Å; H91-R93 VanDerWaalsContact C-N 3.35Å; H91-R93 HydrophobicContact CB-CG 3.97Å; H91-R93 PolarHBondContact O-N 3.05Å
92G97.9Very high98.1Very high29 Ų2936.1 Ų36.130%0.29917%0.165SC..THydrogen-bonded Turntrans65.431.9177.600000114.3A88 A89 A94A88-G92 PolarHBondContact O-N 3.5Å; A89-G92 PolarHBondContact O-N 2.96Å; G92-A94 VanDerWaalsContact C-N 3.27Å; G92-A94 PolarHBondContact O-N 3.33Å
93R98.1Very high97.9Very high99 Ų9935.9 Ų35.937%0.37417%0.168SC..  trans-81.566.9-176.7-52.1-56.1-170.1-176.8-1111.9A55 A88 H91 R95 I96 A97A55-R93 WeakPolarHBondContact O-CG 3.28Å; A88-R93 HydrophobicContact CB-CB 4.16Å; A88-R93 PolarHBondContact O-N 3.36Å; H91-R93 VanDerWaalsContact C-N 3.35Å; H91-R93 HydrophobicContact CB-CG 3.97Å; H91-R93 PolarHBondContact O-N 3.05Å; R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 3Å; R93-I96 HydrophobicContact CB-CB 4Å; R93-I96 HydrophobicContact CB-CD1 4.11Å; R93-I96 HydrophobicContact CB-CG1 4.41Å; R93-I96 HydrophobicContact CG-CD1 4.46Å; R93-I96 WeakPolarHBondContact O-CB 3.49Å; R93-I96 PolarHBondContact O-N 3.44Å; R93-I96 VanDerWaalsContact O-N 3.11Å; R93-A97 PolarHBondContact O-N 3.25Å
94A96.8Very high97.7Very high28 Ų2843.4 Ų43.423%0.23120%0.203CC..Hα-helixtrans-57.4-37.5-173.100000114G92 A97 R98 F132 L135G92-A94 VanDerWaalsContact C-N 3.27Å; G92-A94 PolarHBondContact O-N 3.33Å; A94-A97 PolarHBondContact O-N 3.49Å; A94-R98 WeakPolarHBondContact O-CB 3.44Å; A94-R98 PolarHBondContact O-N 3.35Å; A94-F132 HydrophobicContact CB-CD2 4.48Å; A94-L135 HydrophobicContact CB-CD2 4.21Å; A94-L135 WeakPolarHBondContact O-CD2 3.22Å
95R96.8Very high97.6Very high183 Ų18346.2 Ų46.269%0.69121%0.214SC*.Hα-helixtrans-65.5-40.4177.2-65.2-175.3-178.6175.7-0.5112.8E60 R93 R98 L99E60-R95 HydrophobicContact CG-CB 4.35Å; E60-R95 VanDerWaalsContact OE2-CB 3.27Å; E60-R95 WeakPolarHBondContact OE2-CB 3.33Å; E60-R95 WeakPolarHBondContact OE2-CD 3.47Å; R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 3Å; R95-R98 PolarHBondContact O-N 3Å; R95-L99 PolarHBondContact O-N 3.14Å; R95-L99 VanDerWaalsContact O-N 3.14Å
96I98.1Very high97.6Very high4 Ų449.8 Ų49.82%0.02123%0.227CC..Hα-helixtrans-65.7-43.2176-75.8176.6000110.8A55 E60 V63 A88 R93 R98 L99 M100A55-I96 HydrophobicContact CB-CG2 4.09Å; E60-I96 HydrophobicContact CB-CD1 4.47Å; E60-I96 HydrophobicContact CB-CG1 3.97Å; E60-I96 HydrophobicContact CG-CG1 4.23Å; V63-I96 HydrophobicContact CG1-CG2 4.31Å; V63-I96 HydrophobicContact CG2-CD1 4.08Å; V63-I96 HydrophobicContact CG2-CG1 4.18Å; V63-I96 HydrophobicContact CG2-CG2 4.03Å; A88-I96 HydrophobicContact CB-CG2 4.03Å; R93-I96 HydrophobicContact CB-CB 4Å; R93-I96 HydrophobicContact CB-CD1 4.11Å; R93-I96 HydrophobicContact CB-CG1 4.41Å; R93-I96 HydrophobicContact CG-CD1 4.46Å; R93-I96 WeakPolarHBondContact O-CB 3.49Å; R93-I96 PolarHBondContact O-N 3.44Å; R93-I96 VanDerWaalsContact O-N 3.11Å; I96-R98 VanDerWaalsContact C-N 3.32Å; I96-R98 PolarHBondContact O-N 3.18Å; I96-L99 PolarHBondContact O-N 2.99Å; I96-M100 HydrophobicContact CG2-CE 3.39Å; I96-M100 PolarHBondContact O-N 2.96Å; I96-M100 VanDerWaalsContact O-N 3.12Å
97A98Very high97.5Very high0 Ų054.1 Ų54.10%026%0.258CS..Hα-helixtrans-62.2-40.2175.500000112.4L85 R93 A94 L99 M100 L101 F132 L135L85-A97 HydrophobicContact CD1-CB 3.56Å; R93-A97 PolarHBondContact O-N 3.25Å; A94-A97 PolarHBondContact O-N 3.49Å; A97-L99 PolarHBondContact O-N 3.33Å; A97-M100 PolarHBondContact O-N 3.38Å; A97-L101 VanDerWaalsContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CB 3.42Å; A97-L101 WeakPolarHBondContact O-CG 3.26Å; A97-L101 PolarHBondContact O-N 3.3Å; A97-F132 HydrophobicContact CB-CD2 4.2Å; A97-F132 HydrophobicContact CB-CE1 4.19Å; A97-F132 HydrophobicContact CB-CE2 3.27Å; A97-F132 HydrophobicContact CB-CZ 3.27Å; A97-L135 HydrophobicContact CB-CD2 3.62Å
98R98.2Very high97.5Very high98 Ų9857.5 Ų57.537%0.3728%0.277SS..Hα-helixtrans-58-47.2174.7-175.8177.2-61.6-76.70.5111.4A94 R95 I96 M100 L101 E102 L135 E138A94-R98 WeakPolarHBondContact O-CB 3.44Å; A94-R98 PolarHBondContact O-N 3.35Å; R95-R98 PolarHBondContact O-N 3Å; I96-R98 VanDerWaalsContact C-N 3.32Å; I96-R98 PolarHBondContact O-N 3.18Å; R98-M100 VanDerWaalsContact C-N 3.32Å; R98-M100 PolarHBondContact O-N 2.97Å; R98-L101 PolarHBondContact O-N 3.37Å; R98-E102 VanDerWaalsContact CD-OE1 3.32Å; R98-E102 WeakPolarHBondContact CD-OE1 3.41Å; R98-E102 VanDerWaalsContact CG-CD 3.44Å; R98-E102 HydrophobicContact CG-CG 4.2Å; R98-E102 WeakPolarHBondContact CG-OE1 3.37Å; R98-E102 IonicContact NH1-OE1 3.27Å; R98-E102 WeakPolarHBondContact O-CB 3.37Å; R98-E102 VanDerWaalsContact O-CG 3.32Å; R98-E102 WeakPolarHBondContact O-CG 3.37Å; R98-E102 PolarHBondContact O-N 3.13Å; R98-L135 HydrophobicContact CB-CD1 4.41Å; R98-L135 HydrophobicContact CB-CD2 4.39Å; R98-E138 IonicContact NH2-OE2 3.65Å
99L97.5Very high97.4Very high26 Ų2657.5 Ų57.514%0.13628%0.277CS..Hα-helixtrans-56.7-44.3175.8-68.3173.8000112.6E60 R64 L67 R95 I96 A97E60-L99 HydrophobicContact CG-CD1 3.7Å; R64-L99 HydrophobicContact CB-CD1 4.24Å; L67-L99 HydrophobicContact CD1-CB 4.41Å; R95-L99 PolarHBondContact O-N 3.14Å; R95-L99 VanDerWaalsContact O-N 3.14Å; I96-L99 PolarHBondContact O-N 2.99Å; A97-L99 PolarHBondContact O-N 3.33Å
100M97.8Very high97.4Very high1 Ų158 Ų581%0.00528%0.28CS..Hα-helixtrans-69.1-39.8177.8-73.5-171.3-91.600112.4A55 L67 P73 A84 L85 A88 I96 A97 R98 S103 I109A55-M100 HydrophobicContact CB-CE 4.34Å; L67-M100 HydrophobicContact CD1-CG 4.26Å; P73-M100 HydrophobicContact CB-CG 4.49Å; P73-M100 HydrophobicContact CB-SD 4.16Å; A84-M100 HydrophobicContact CB-CE 4.35Å; A84-M100 HydrophobicContact CB-SD 3.92Å; L85-M100 HydrophobicContact CB-CE 4.37Å; L85-M100 HydrophobicContact CB-SD 4.35Å; L85-M100 HydrophobicContact CD1-CE 4.15Å; A88-M100 HydrophobicContact CB-CE 3.97Å; I96-M100 HydrophobicContact CG2-CE 3.39Å; I96-M100 PolarHBondContact O-N 2.96Å; I96-M100 VanDerWaalsContact O-N 3.12Å; A97-M100 PolarHBondContact O-N 3.38Å; R98-M100 VanDerWaalsContact C-N 3.32Å; R98-M100 PolarHBondContact O-N 2.97Å; M100-S103 WeakPolarHBondContact O-CB 3.42Å; M100-S103 PolarHBondContact O-N 3.13Å; M100-S103 PolarHBondContact O-OG 2.97Å; M100-I109 HydrophobicContact CB-CD1 3.73Å
101L97.9Very high97.4Very high1 Ų158.3 Ų58.31%0.00528%0.282CS..Hα-helixtrans-77.7-18.1-177.4-68.5170.9000113.7L85 A97 R98 S103 R106 I109 I110 L135 L136 F139L85-L101 HydrophobicContact CD2-CD2 3.86Å; L85-L101 HydrophobicContact CD2-CG 4.4Å; A97-L101 VanDerWaalsContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CB 3.42Å; A97-L101 WeakPolarHBondContact O-CG 3.26Å; A97-L101 PolarHBondContact O-N 3.3Å; R98-L101 PolarHBondContact O-N 3.37Å; L101-S103 VanDerWaalsContact C-N 3.32Å; L101-R106 HydrophobicContact CD2-CG 4.38Å; L101-R106 WeakPolarHBondContact O-CB 3.37Å; L101-R106 WeakPolarHBondContact O-CD 3.38Å; L101-R106 WeakPolarHBondContact O-CG 3.46Å; L101-I109 HydrophobicContact CD2-CD1 4.44Å; L101-I109 HydrophobicContact CD2-CG1 4.31Å; L101-I110 HydrophobicContact CD2-CB 3.88Å; L101-I110 HydrophobicContact CD2-CD1 4.08Å; L101-I110 HydrophobicContact CD2-CG1 4.01Å; L101-L135 HydrophobicContact CD1-CD2 4.48Å; L101-L135 HydrophobicContact CD1-CG 4.41Å; L101-L136 HydrophobicContact CD1-CD2 4.12Å; L101-F139 HydrophobicContact CB-CD1 3.89Å; L101-F139 HydrophobicContact CB-CD2 4.29Å; L101-F139 HydrophobicContact CB-CE1 3.9Å; L101-F139 HydrophobicContact CB-CE2 4.33Å; L101-F139 HydrophobicContact CB-CG 4.07Å; L101-F139 HydrophobicContact CB-CZ 4.13Å; L101-F139 HydrophobicContact CD1-CB 4.15Å; L101-F139 HydrophobicContact CD1-CD2 3.97Å; L101-F139 HydrophobicContact CD1-CG 4.02Å
102E96.7Very high97.4Very high119 Ų11955.3 Ų55.356%0.55627%0.271SS*.THydrogen-bonded Turntrans-85.6-6.7171.2-71.7170.4178.600112.5R98 F139R98-E102 VanDerWaalsContact CD-OE1 3.32Å; R98-E102 WeakPolarHBondContact CD-OE1 3.41Å; R98-E102 VanDerWaalsContact CG-CD 3.44Å; R98-E102 HydrophobicContact CG-CG 4.2Å; R98-E102 WeakPolarHBondContact CG-OE1 3.37Å; R98-E102 IonicContact NH1-OE1 3.27Å; R98-E102 WeakPolarHBondContact O-CB 3.37Å; R98-E102 VanDerWaalsContact O-CG 3.32Å; R98-E102 WeakPolarHBondContact O-CG 3.37Å; R98-E102 PolarHBondContact O-N 3.13Å; E102-F139 HydrophobicContact CG-CE1 4.21Å; E102-F139 HydrophobicContact CG-CZ 3.81Å
103S94.9Very high97.5Very high31 Ų3158.1 Ų58.122%0.21728%0.275CS..SBendtrans-82.4168.917579.40000112.5M100 L101 Y105 R106M100-S103 WeakPolarHBondContact O-CB 3.42Å; M100-S103 PolarHBondContact O-N 3.13Å; M100-S103 PolarHBondContact O-OG 2.97Å; L101-S103 VanDerWaalsContact C-N 3.32Å; S103-Y105 PolarHBondContact O-N 2.87Å; S103-Y105 PolarHBondContact OG-N 3.19Å; S103-R106 WeakPolarHBondContact O-CB 3.41Å; S103-R106 PolarHBondContact O-N 3.04Å
104E95.2Very high97.5Very high159 Ų15953.8 Ų53.874%0.74326%0.26SS*.THydrogen-bonded Turntrans-61-24.1175.864-167.1163.500113.7R106E104-R106 PolarHBondContact O-N 2.84Å
105Y96.1Very high97.6Very high58 Ų5857.1 Ų57.123%0.22727%0.273CS..THydrogen-bonded Turntrans-76.10.1-179.5-58.1-76.2000114.8P73 T74 S103 S107 D108 I109P73-Y105 VanDerWaalsContact CG-CB 3.43Å; P73-Y105 HydrophobicContact CG-CD1 4.14Å; P73-Y105 HydrophobicContact CG-CD2 3.41Å; P73-Y105 VanDerWaalsContact CG-CD2 3.41Å; P73-Y105 HydrophobicContact CG-CE2 4.16Å; P73-Y105 HydrophobicContact CG-CG 3.39Å; T74-Y105 HydrophobicContact CG2-CD1 3.8Å; T74-Y105 HydrophobicContact CG2-CG 4.45Å; S103-Y105 PolarHBondContact O-N 2.87Å; S103-Y105 PolarHBondContact OG-N 3.19Å; Y105-S107 VanDerWaalsContact C-N 3.28Å; Y105-S107 PolarHBondContact O-N 3.33Å; Y105-D108 PolarHBondContact O-N 3.16Å; Y105-I109 WeakPolarHBondContact O-CG1 3.32Å; Y105-I109 PolarHBondContact O-N 3.12Å; Y105-I109 VanDerWaalsContact O-N 3.16Å
106R97.4Very high97.6Very high76 Ų7652.7 Ų52.729%0.28726%0.263SS..Hα-helixtrans-48.9-47.3-174175.9-173.914259.22.8113L101 S103 E104 D108 I109 I110 F139L101-R106 HydrophobicContact CD2-CG 4.38Å; L101-R106 WeakPolarHBondContact O-CB 3.37Å; L101-R106 WeakPolarHBondContact O-CD 3.38Å; L101-R106 WeakPolarHBondContact O-CG 3.46Å; S103-R106 WeakPolarHBondContact O-CB 3.41Å; S103-R106 PolarHBondContact O-N 3.04Å; E104-R106 PolarHBondContact O-N 2.84Å; R106-D108 VanDerWaalsContact C-N 3.26Å; R106-D108 PolarHBondContact O-N 3.2Å; R106-I109 PolarHBondContact O-N 2.99Å; R106-I110 WeakPolarHBondContact O-CB 3.31Å; R106-I110 VanDerWaalsContact O-CG2 3.28Å; R106-I110 WeakPolarHBondContact O-CG2 3.48Å; R106-I110 PolarHBondContact O-N 3.14Å; R106-I110 VanDerWaalsContact O-N 3.11Å; R106-F139 VanDerWaalsContact NH1-CB 3.25Å; R106-F139 VanDerWaalsContact NH1-CD1 3.3Å; R106-F139 PolarHBondContact NH1-O 2.95Å; R106-F139 PolarHBondContact NH2-O 3.13Å
107S96.8Very high97.7Very high92 Ų9252.5 Ų52.564%0.64326%0.263SS*.Hα-helixtrans-62.3-34.2-178.7410000112.5Y105Y105-S107 VanDerWaalsContact C-N 3.28Å; Y105-S107 PolarHBondContact O-N 3.33Å
108D98.1Very high97.7Very high95 Ų9554.9 Ų54.951%0.50827%0.272SS..Hα-helixtrans-80.1-30.4-175.9-54-59.1000112.2T74 Y105 R106T74-D108 HydrophobicContact CG2-CB 3.63Å; Y105-D108 PolarHBondContact O-N 3.16Å; R106-D108 VanDerWaalsContact C-N 3.26Å; R106-D108 PolarHBondContact O-N 3.2Å
109I98.3Very high97.7Very high0 Ų050.3 Ų50.30%026%0.255CS..Hα-helixtrans-101.4-29.2-171.168.4179.6000114.6P73 T74 L85 M100 L101 Y105 R106 N111 A112P73-I109 HydrophobicContact CB-CD1 4.5Å; P73-I109 HydrophobicContact CB-CG2 4.31Å; P73-I109 HydrophobicContact CG-CG2 4.26Å; T74-I109 HydrophobicContact CG2-CG2 3.97Å; L85-I109 HydrophobicContact CD2-CB 4.21Å; L85-I109 HydrophobicContact CD2-CD1 4.11Å; L85-I109 HydrophobicContact CD2-CG1 3.88Å; M100-I109 HydrophobicContact CB-CD1 3.73Å; L101-I109 HydrophobicContact CD2-CD1 4.44Å; L101-I109 HydrophobicContact CD2-CG1 4.31Å; Y105-I109 WeakPolarHBondContact O-CG1 3.32Å; Y105-I109 PolarHBondContact O-N 3.12Å; Y105-I109 VanDerWaalsContact O-N 3.16Å; R106-I109 PolarHBondContact O-N 2.99Å; I109-N111 VanDerWaalsContact C-N 3.34Å; I109-N111 PolarHBondContact O-N 2.68Å; I109-A112 WeakPolarHBondContact O-CB 3.34Å; I109-A112 PolarHBondContact O-N 3.16Å
110I98.6Very high97.8Very high9 Ų949 Ų495%0.04625%0.248CC..THydrogen-bonded Turntrans-64.1-38.3-168.2-171.2165.4000113.4L101 R106 P120 L136 F139 A141L101-I110 HydrophobicContact CD2-CB 3.88Å; L101-I110 HydrophobicContact CD2-CD1 4.08Å; L101-I110 HydrophobicContact CD2-CG1 4.01Å; R106-I110 WeakPolarHBondContact O-CB 3.31Å; R106-I110 VanDerWaalsContact O-CG2 3.28Å; R106-I110 WeakPolarHBondContact O-CG2 3.48Å; R106-I110 PolarHBondContact O-N 3.14Å; R106-I110 VanDerWaalsContact O-N 3.11Å; I110-P120 WeakPolarHBondContact O-CD 3.19Å; I110-L136 HydrophobicContact CG1-CD2 4.34Å; I110-F139 HydrophobicContact CD1-CB 3.81Å; I110-F139 WeakPolarHBondContact CD1-O 3.35Å; I110-A141 HydrophobicContact CD1-CB 3.87Å; I110-A141 HydrophobicContact CG1-CB 3.78Å
111N98.6Very high97.8Very high40 Ų4049 Ų4921%0.21425%0.248CC..THydrogen-bonded Turntrans-113.416.8177.4-62.8-26.8000111.7I109 K113 E142I109-N111 VanDerWaalsContact C-N 3.34Å; I109-N111 PolarHBondContact O-N 2.68Å; N111-K113 PolarHBondContact O-N 2.97Å; N111-E142 WeakPolarHBondContact ND2-CG 3.5Å; N111-E142 PolarHBondContact ND2-OE1 3.43Å; N111-E142 PolarHBondContact OD1-N 3.01Å
112A98.6Very high97.9Very high14 Ų1449 Ų4912%0.11625%0.248CC..  trans-54.4131.6177.400000110T83 H86 I109 T119 P120T83-A112 HydrophobicContact CG2-CB 4.17Å; H86-A112 PolarHBondContact CE1-O 3.12Å; H86-A112 PolarHBondContact NE2-O 2.85Å; H86-A112 VanDerWaalsContact NE2-O 3.13Å; I109-A112 WeakPolarHBondContact O-CB 3.34Å; I109-A112 PolarHBondContact O-N 3.16Å; A112-T119 WeakPolarHBondContact O-CA 3.42Å; A112-P120 WeakPolarHBondContact O-CD 3.41Å
113K98.6Very high98Very high88 Ų8843.3 Ų43.338%0.38322%0.222SC..  trans-96135.3177.9-69-167.6-179.9-163.10111.5K76 N111 W118 T119 L146K76-K113 WeakPolarHBondContact CE-O 3.43Å; K76-K113 PolarHBondContact NZ-O 3.42Å; N111-K113 PolarHBondContact O-N 2.97Å; K113-W118 CarbonylContact C-O 3.5Å; K113-W118 WeakPolarHBondContact CA-O 3.42Å; K113-T119 HydrophobicContact CG-CG2 4.12Å; K113-L146 PolarHBondContact NZ-O 3.03Å
114S98.6Very high98.2Very high8 Ų841.9 Ų41.96%0.05621%0.211CC..  trans-70.8-178.9166.584.90000111.7G80 G81 F82 D116 G117 W118G80-S114 VanDerWaalsContact O-CB 3.28Å; G80-S114 WeakPolarHBondContact O-CB 3.28Å; G81-S114 WeakPolarHBondContact O-CA 3.41Å; F82-S114 VanDerWaalsContact CD1-CB 3.46Å; S114-D116 PolarHBondContact O-N 2.66Å; S114-D116 PolarHBondContact OG-N 3.16Å; S114-G117 PolarHBondContact O-N 2.58Å; S114-W118 PolarHBondContact N-O 2.94Å; S114-W118 PolarHBondContact OG-N 2.72Å
115N98.4Very high98.3Very high97 Ų9734.3 Ų34.352%0.51918%0.176SC..THydrogen-bonded Turntrans-65.1-19177.6-67.4-10.2000113.9G80 G81G80-N115 WeakPolarHBondContact O-CB 2.85Å; G80-N115 PolarHBondContact O-N 3.35Å; G81-N115 WeakPolarHBondContact CA-OD1 3.49Å; G81-N115 PolarHBondContact N-ND2 2.93Å
116D98Very high98.5Very high90 Ų9032.8 Ų32.848%0.48117%0.171SC..THydrogen-bonded Turntrans-99.711.1173.7-71.4-49000112.1S114 W118 D148S114-D116 PolarHBondContact O-N 2.66Å; S114-D116 PolarHBondContact OG-N 3.16Å; D116-W118 VanDerWaalsContact C-N 3.28Å; D116-W118 PolarHBondContact O-N 2.75Å; D116-D148 PolarHBondContact O-N 2.84Å; D116-D148 VanDerWaalsContact O-N 3.09Å
117G98.4Very high98.5Very high1 Ų133.3 Ų33.31%0.0117%0.173CC..SBendtrans769.5-176.700000114.6S114 D148S114-G117 PolarHBondContact O-N 2.58Å; G117-D148 WeakPolarHBondContact CA-OD1 3.44Å; G117-D148 PolarHBondContact N-OD2 3.12Å
118W98.8Very high98.6Very high50 Ų5030 Ų3019%0.18915%0.153CC..  trans-75.9132.4-178.5-74.735.1000110.6H86 K113 S114 D116 H122 V123 H126 L156H86-W118 PolarHBondContact NE2-O 3.24Å; K113-W118 CarbonylContact C-O 3.5Å; K113-W118 WeakPolarHBondContact CA-O 3.42Å; S114-W118 PolarHBondContact N-O 2.94Å; S114-W118 PolarHBondContact OG-N 2.72Å; D116-W118 VanDerWaalsContact C-N 3.28Å; D116-W118 PolarHBondContact O-N 2.75Å; W118-H122 HydrophobicContact CB-CB 3.97Å; W118-H122 HydrophobicContact CD2-CB 4.09Å; W118-H122 HydrophobicContact CE3-CB 4.1Å; W118-H122 HydrophobicContact CG-CB 4.05Å; W118-V123 HydrophobicContact CE3-CG2 3.91Å; W118-H126 HydrophobicContact CH2-CB 4.23Å; W118-H126 AromaticContact CH2-CE1 3.8Å; W118-H126 AromaticContact CH2-CG 3.81Å; W118-H126 AromaticContact CH2-ND1 3.38Å; W118-H126 WeakPolarHBondContact CH2-ND1 3.4Å; W118-H126 HydrophobicContact CZ3-CB 3.87Å; W118-H126 AromaticContact CZ3-CG 3.84Å; W118-H126 AromaticContact CZ3-ND1 3.9Å; W118-L156 HydrophobicContact CD2-CD1 4.32Å; W118-L156 HydrophobicContact CE3-CD1 4.32Å; W118-L156 HydrophobicContact CH2-CD1 3.99Å; W118-L156 HydrophobicContact CH2-CD2 4.46Å; W118-L156 HydrophobicContact CZ2-CD1 3.91Å; W118-L156 HydrophobicContact CZ2-CD2 4.21Å; W118-L156 HydrophobicContact CZ3-CD1 4.18Å
119T98.9Very high98.6Very high1 Ų129.5 Ų29.51%0.00614%0.144CC..  trans-90.3167.9169.967.30000111.1A112 K113 L121 H122 V123 P145A112-T119 WeakPolarHBondContact O-CA 3.42Å; K113-T119 HydrophobicContact CG-CG2 4.12Å; T119-L121 PolarHBondContact O-N 3.42Å; T119-L121 VanDerWaalsContact O-N 3.13Å; T119-L121 PolarHBondContact OG1-N 3.08Å; T119-H122 PolarHBondContact N-ND1 3.46Å; T119-H122 VanDerWaalsContact N-ND1 3.13Å; T119-H122 WeakPolarHBondContact O-CB 3.27Å; T119-H122 PolarHBondContact O-N 2.85Å; T119-H122 PolarHBondContact OG1-N 3.48Å; T119-H122 PolarHBondContact OG1-ND1 2.92Å; T119-V123 PolarHBondContact O-N 3.22Å; T119-V123 VanDerWaalsContact O-N 3.14Å; T119-P145 HydrophobicContact CG2-CB 3.89Å; T119-P145 HydrophobicContact CG2-CG 4Å
120P98.9Very high98.6Very high0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-54.3-31.8171.1-27.836.2000113.1L85 H86 A89 I110 A112 V123 A124 L136L85-P120 HydrophobicContact CB-CG 4.43Å; L85-P120 HydrophobicContact CD2-CB 4.24Å; L85-P120 HydrophobicContact CD2-CG 3.88Å; L85-P120 HydrophobicContact CG-CB 4.1Å; L85-P120 HydrophobicContact CG-CG 3.99Å; H86-P120 WeakPolarHBondContact NE2-CD 3.21Å; A89-P120 HydrophobicContact CB-CB 4.27Å; A89-P120 WeakPolarHBondContact CB-O 3.3Å; I110-P120 WeakPolarHBondContact O-CD 3.19Å; A112-P120 WeakPolarHBondContact O-CD 3.41Å; P120-V123 PolarHBondContact O-N 3.22Å; P120-A124 WeakPolarHBondContact O-CB 3.22Å; P120-A124 PolarHBondContact O-N 3.45Å; P120-L136 HydrophobicContact CB-CD1 4.01Å; P120-L136 HydrophobicContact CB-CD2 4.22Å
121L98.9Very high98.6Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-67.9-39.8176.2-170.362.3000112.2T119 A124 A125 V133 L136 L137 E142 P153 L169T119-L121 PolarHBondContact O-N 3.42Å; T119-L121 VanDerWaalsContact O-N 3.13Å; T119-L121 PolarHBondContact OG1-N 3.08Å; L121-A124 PolarHBondContact O-N 3.14Å; L121-A125 VanDerWaalsContact O-CB 3.23Å; L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 3.23Å; L121-V133 HydrophobicContact CD1-CB 4.36Å; L121-V133 HydrophobicContact CD1-CG1 3.93Å; L121-V133 HydrophobicContact CD1-CG2 4.33Å; L121-L136 HydrophobicContact CB-CD1 3.99Å; L121-L136 HydrophobicContact CD1-CB 4.19Å; L121-L136 HydrophobicContact CD1-CD1 3.95Å; L121-L137 HydrophobicContact CD1-CG 4.44Å; L121-L137 HydrophobicContact CD2-CD2 4.1Å; L121-E142 WeakPolarHBondContact CD2-O 3.27Å; L121-P153 HydrophobicContact CB-CG 4.23Å; L121-P153 HydrophobicContact CD2-CB 4.26Å; L121-P153 HydrophobicContact CD2-CG 3.97Å; L121-P153 HydrophobicContact CG-CB 3.92Å; L121-P153 HydrophobicContact CG-CG 3.89Å; L121-L169 HydrophobicContact CD1-CD2 4.24Å; L121-L169 HydrophobicContact CD2-CD2 4.1Å; L121-L169 HydrophobicContact CG-CD2 4.36Å
122H98.9Very high98.6Very high0 Ų033.1 Ų33.10%017%0.17CC..Hα-helixtrans-58.6-48.5172.3-72.890.8000111.3W118 T119 A125 H126 P145 T151 L156W118-H122 HydrophobicContact CB-CB 3.97Å; W118-H122 HydrophobicContact CD2-CB 4.09Å; W118-H122 HydrophobicContact CE3-CB 4.1Å; W118-H122 HydrophobicContact CG-CB 4.05Å; T119-H122 PolarHBondContact N-ND1 3.46Å; T119-H122 VanDerWaalsContact N-ND1 3.13Å; T119-H122 WeakPolarHBondContact O-CB 3.27Å; T119-H122 PolarHBondContact O-N 2.85Å; T119-H122 PolarHBondContact OG1-N 3.48Å; T119-H122 PolarHBondContact OG1-ND1 2.92Å; H122-A125 PolarHBondContact O-N 3.41Å; H122-H126 WeakPolarHBondContact O-CB 3.49Å; H122-H126 PolarHBondContact O-N 3.32Å; H122-P145 PolarHBondContact CE1-O 2.92Å; H122-P145 PolarHBondContact NE2-O 2.83Å; H122-P145 VanDerWaalsContact NE2-O 3.15Å; H122-T151 PolarHBondContact NE2-O 3.45Å; H122-L156 HydrophobicContact CB-CD1 3.94Å
123V98.8Very high98.6Very high1 Ų132.5 Ų32.51%0.00616%0.164CC..Hα-helixtrans-61.6-50.2179.7178.90000110.2F82 A89 M90 W118 T119 P120 A125 H126 Y127F82-V123 HydrophobicContact CE1-CG2 4.04Å; A89-V123 HydrophobicContact CB-CB 4.13Å; A89-V123 HydrophobicContact CB-CG1 4.09Å; M90-V123 HydrophobicContact CB-CG1 3.71Å; W118-V123 HydrophobicContact CE3-CG2 3.91Å; T119-V123 PolarHBondContact O-N 3.22Å; T119-V123 VanDerWaalsContact O-N 3.14Å; P120-V123 PolarHBondContact O-N 3.22Å; V123-A125 VanDerWaalsContact C-N 3.32Å; V123-A125 PolarHBondContact O-N 3.32Å; V123-H126 PolarHBondContact O-N 3.26Å; V123-Y127 HydrophobicContact CG1-CD2 3.85Å; V123-Y127 HydrophobicContact CG1-CE2 4.05Å; V123-Y127 VanDerWaalsContact O-CD2 3.29Å; V123-Y127 WeakPolarHBondContact O-CD2 3.3Å; V123-Y127 PolarHBondContact O-N 2.89Å; V123-Y127 VanDerWaalsContact O-N 3.09Å
124A98.8Very high98.6Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-58.7-43.2179.400000112.1A89 P120 L121 G128 R129 F132 V133 L136A89-A124 HydrophobicContact CB-CB 4.19Å; P120-A124 WeakPolarHBondContact O-CB 3.22Å; P120-A124 PolarHBondContact O-N 3.45Å; L121-A124 PolarHBondContact O-N 3.14Å; A124-G128 PolarHBondContact O-N 3.44Å; A124-R129 HydrophobicContact CB-CB 4.29Å; A124-R129 PolarHBondContact O-N 2.93Å; A124-F132 HydrophobicContact CB-CB 4.33Å; A124-F132 HydrophobicContact CB-CD1 3.89Å; A124-F132 HydrophobicContact CB-CG 4.45Å; A124-V133 HydrophobicContact CB-CG2 3.68Å; A124-L136 HydrophobicContact CB-CD1 4.32Å
125A98.8Very high98.6Very high0 Ų032.8 Ų32.80%016%0.162CC..Hα-helixtrans-65-43.6177.600000112.4L121 H122 V123 Y127 G128 P153 A157 R162 L169L121-A125 VanDerWaalsContact O-CB 3.23Å; L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 3.23Å; H122-A125 PolarHBondContact O-N 3.41Å; V123-A125 VanDerWaalsContact C-N 3.32Å; V123-A125 PolarHBondContact O-N 3.32Å; A125-Y127 PolarHBondContact O-N 2.88Å; A125-G128 PolarHBondContact O-N 2.84Å; A125-P153 HydrophobicContact CB-CB 3.93Å; A125-P153 WeakPolarHBondContact CB-O 3.47Å; A125-A157 HydrophobicContact CB-CB 4.25Å; A125-R162 WeakPolarHBondContact O-CG 3.18Å; A125-L169 HydrophobicContact CB-CD1 4.27Å
126H98.7Very high98.6Very high26 Ų2628.1 Ų28.112%0.1214%0.137CC..Hα-helixtrans-59.3-44.8177.6-174.996.8000112.5W118 H122 V123 G128 L156 R160 R162W118-H126 HydrophobicContact CH2-CB 4.23Å; W118-H126 AromaticContact CH2-CE1 3.8Å; W118-H126 AromaticContact CH2-CG 3.81Å; W118-H126 AromaticContact CH2-ND1 3.38Å; W118-H126 WeakPolarHBondContact CH2-ND1 3.4Å; W118-H126 HydrophobicContact CZ3-CB 3.87Å; W118-H126 AromaticContact CZ3-CG 3.84Å; W118-H126 AromaticContact CZ3-ND1 3.9Å; H122-H126 WeakPolarHBondContact O-CB 3.49Å; H122-H126 PolarHBondContact O-N 3.32Å; V123-H126 PolarHBondContact O-N 3.26Å; H126-G128 VanDerWaalsContact C-N 3.34Å; H126-L156 HydrophobicContact CB-CB 4.48Å; H126-L156 HydrophobicContact CB-CD1 4.4Å; H126-R160 PolarHBondContact CE1-NH1 2.8Å; H126-R160 VanDerWaalsContact CE1-NH1 3.26Å; H126-R160 PolarHBondContact NE2-NH1 3.06Å; H126-R162 PolarHBondContact O-NE 3.49Å
127Y98.6Very high98.6Very high88 Ų8824.2 Ų24.235%0.34512%0.116SC..THydrogen-bonded Turntrans-86.70.6-178.8-71.3-80.4000114M90 V123 A125M90-Y127 HydrophobicContact CB-CD2 4.33Å; M90-Y127 HydrophobicContact CB-CE2 4.34Å; M90-Y127 HydrophobicContact CE-CE2 4.05Å; M90-Y127 HydrophobicContact CG-CD1 4.47Å; M90-Y127 HydrophobicContact CG-CD2 3.9Å; M90-Y127 HydrophobicContact CG-CE1 4.22Å; M90-Y127 HydrophobicContact CG-CE2 3.64Å; M90-Y127 HydrophobicContact CG-CG 4.32Å; M90-Y127 HydrophobicContact SD-CE2 4.39Å; V123-Y127 HydrophobicContact CG1-CD2 3.85Å; V123-Y127 HydrophobicContact CG1-CE2 4.05Å; V123-Y127 VanDerWaalsContact O-CD2 3.29Å; V123-Y127 WeakPolarHBondContact O-CD2 3.3Å; V123-Y127 PolarHBondContact O-N 2.89Å; V123-Y127 VanDerWaalsContact O-N 3.09Å; A125-Y127 PolarHBondContact O-N 2.88Å
128G98.4Very high98.6Very high21 Ų2129.3 Ų29.322%0.21614%0.14CC..THydrogen-bonded Turntrans67.740.9177.300000113.5A124 A125 H126 D130A124-G128 PolarHBondContact O-N 3.44Å; A125-G128 PolarHBondContact O-N 2.84Å; H126-G128 VanDerWaalsContact C-N 3.34Å; G128-D130 PolarHBondContact O-N 3.4Å
129R98.6Very high98.6Very high86 Ų8628.5 Ų28.533%0.32514%0.138SC..  trans-92.272.2-177.5-55.3-46.5-170.7-172.5-3.3111.4A89 M90 A124 S131 F132 V133A89-R129 WeakPolarHBondContact O-CG 3.39Å; M90-R129 PolarHBondContact O-NE 3.28Å; M90-R129 PolarHBondContact O-NH2 3.47Å; A124-R129 HydrophobicContact CB-CB 4.29Å; A124-R129 PolarHBondContact O-N 2.93Å; R129-S131 PolarHBondContact O-N 3.08Å; R129-F132 HydrophobicContact CB-CB 3.75Å; R129-F132 CarbonylContact O-C 3.31Å; R129-F132 WeakPolarHBondContact O-CA 3.42Å; R129-F132 VanDerWaalsContact O-CB 3.3Å; R129-F132 WeakPolarHBondContact O-CB 3.43Å; R129-F132 PolarHBondContact O-N 3.34Å; R129-V133 PolarHBondContact O-N 3.02Å
130D98.1Very high98.5Very high45 Ų4536.3 Ų36.324%0.24117%0.172CC..Hα-helixtrans-48.2-51.4-173.1-57.5-14.1000114.6G128 F132 V133 R134 S164 C165 I168G128-D130 PolarHBondContact O-N 3.4Å; D130-F132 PolarHBondContact O-N 2.91Å; D130-V133 PolarHBondContact O-N 3.4Å; D130-R134 PolarHBondContact O-N 2.9Å; D130-S164 VanDerWaalsContact CG-CB 3.45Å; D130-S164 WeakPolarHBondContact OD1-CB 3.31Å; D130-S164 PolarHBondContact OD1-OG 3.3Å; D130-S164 WeakPolarHBondContact OD2-CB 3.47Å; D130-S164 PolarHBondContact OD2-OG 3.25Å; D130-C165 PolarHBondContact OD1-N 3.06Å; D130-C165 PolarHBondContact OD1-SG 3.38Å; D130-I168 HydrophobicContact CB-CD1 3.79Å
131S97.7Very high98.5Very high79 Ų7936.6 Ų36.655%0.55217%0.174SC*.Hα-helixtrans-66-27.2180-54.70000112.6R129 L135R129-S131 PolarHBondContact O-N 3.08Å; S131-L135 WeakPolarHBondContact O-CB 3.23Å; S131-L135 PolarHBondContact O-N 3.16Å; S131-L135 VanDerWaalsContact O-N 3.14Å
132F98.6Very high98.5Very high1 Ų141.5 Ų41.50%0.00420%0.197CC..Hα-helixtrans-79.4-40.4176.9-156.2-74.9000111.4L85 A88 A89 A94 A97 A124 R129 D130 R134 L135 L136L85-F132 HydrophobicContact CD1-CE1 4.43Å; L85-F132 HydrophobicContact CD1-CZ 3.85Å; A88-F132 HydrophobicContact CB-CE2 3.82Å; A88-F132 HydrophobicContact CB-CZ 3.94Å; A88-F132 VanDerWaalsContact O-CE2 3.24Å; A88-F132 WeakPolarHBondContact O-CE2 3.18Å; A89-F132 VanDerWaalsContact CA-CE1 3.48Å; A89-F132 HydrophobicContact CB-CD1 3.85Å; A89-F132 HydrophobicContact CB-CE1 3.37Å; A89-F132 HydrophobicContact CB-CE2 4.4Å; A89-F132 HydrophobicContact CB-CZ 3.67Å; A94-F132 HydrophobicContact CB-CD2 4.48Å; A97-F132 HydrophobicContact CB-CD2 4.2Å; A97-F132 HydrophobicContact CB-CE1 4.19Å; A97-F132 HydrophobicContact CB-CE2 3.27Å; A97-F132 HydrophobicContact CB-CZ 3.27Å; A124-F132 HydrophobicContact CB-CB 4.33Å; A124-F132 HydrophobicContact CB-CD1 3.89Å; A124-F132 HydrophobicContact CB-CG 4.45Å; R129-F132 HydrophobicContact CB-CB 3.75Å; R129-F132 CarbonylContact O-C 3.31Å; R129-F132 WeakPolarHBondContact O-CA 3.42Å; R129-F132 VanDerWaalsContact O-CB 3.3Å; R129-F132 WeakPolarHBondContact O-CB 3.43Å; R129-F132 PolarHBondContact O-N 3.34Å; D130-F132 PolarHBondContact O-N 2.91Å; F132-R134 VanDerWaalsContact C-N 3.35Å; F132-L135 WeakPolarHBondContact O-CB 3.38Å; F132-L135 PolarHBondContact O-N 3.32Å; F132-L136 HydrophobicContact CD1-CD1 3.68Å; F132-L136 HydrophobicContact CD1-CG 3.81Å; F132-L136 HydrophobicContact CE1-CD1 3.72Å; F132-L136 HydrophobicContact CE1-CD2 3.98Å; F132-L136 HydrophobicContact CE1-CG 3.77Å; F132-L136 WeakPolarHBondContact O-CG 3.41Å; F132-L136 PolarHBondContact O-N 3.32Å
133V98.8Very high98.5Very high0 Ų043.1 Ų43.10%021%0.207CC..Hα-helixtrans-57.2-49.5171.8172.10000109.9L121 A124 R129 D130 L135 L136 L137 I168 L169L121-V133 HydrophobicContact CD1-CB 4.36Å; L121-V133 HydrophobicContact CD1-CG1 3.93Å; L121-V133 HydrophobicContact CD1-CG2 4.33Å; A124-V133 HydrophobicContact CB-CG2 3.68Å; R129-V133 PolarHBondContact O-N 3.02Å; D130-V133 PolarHBondContact O-N 3.4Å; V133-L135 PolarHBondContact O-N 2.84Å; V133-L136 PolarHBondContact O-N 2.93Å; V133-L137 HydrophobicContact CG1-CD1 3.76Å; V133-L137 VanDerWaalsContact O-CG 3.26Å; V133-L137 WeakPolarHBondContact O-CG 3.08Å; V133-L137 PolarHBondContact O-N 3.45Å; V133-L137 VanDerWaalsContact O-N 3.08Å; V133-I168 HydrophobicContact CG1-CB 4.33Å; V133-I168 HydrophobicContact CG1-CG2 3.71Å; V133-L169 HydrophobicContact CG1-CD2 4.1Å; V133-L169 HydrophobicContact CG1-CG 4.16Å
134R98.6Very high98.4Very high99 Ų9945.3 Ų45.337%0.37422%0.218SC..Hα-helixtrans-55.5-48.9174.6-84.9-173.9-83.8-94.7-2.1112.3D130 F132 L136 L137 E138 I168D130-R134 PolarHBondContact O-N 2.9Å; F132-R134 VanDerWaalsContact C-N 3.35Å; R134-L136 PolarHBondContact O-N 3.34Å; R134-L137 PolarHBondContact O-N 3.47Å; R134-E138 WeakPolarHBondContact O-CG 3.37Å; R134-E138 PolarHBondContact O-N 3.4Å; R134-I168 HydrophobicContact CG-CD1 4.18Å; R134-I168 HydrophobicContact CG-CG1 4.31Å; R134-I168 HydrophobicContact CG-CG2 3.75Å; R134-I168 VanDerWaalsContact NH1-CG1 3.33Å
135L98.6Very high98.4Very high3 Ų345.6 Ų45.62%0.01622%0.22CC..Hα-helixtrans-57.3-48.3178.8-178.671.5000112.1A94 A97 R98 L101 S131 F132 V133 L137 E138 F139A94-L135 HydrophobicContact CB-CD2 4.21Å; A94-L135 WeakPolarHBondContact O-CD2 3.22Å; A97-L135 HydrophobicContact CB-CD2 3.62Å; R98-L135 HydrophobicContact CB-CD1 4.41Å; R98-L135 HydrophobicContact CB-CD2 4.39Å; L101-L135 HydrophobicContact CD1-CD2 4.48Å; L101-L135 HydrophobicContact CD1-CG 4.41Å; S131-L135 WeakPolarHBondContact O-CB 3.23Å; S131-L135 PolarHBondContact O-N 3.16Å; S131-L135 VanDerWaalsContact O-N 3.14Å; F132-L135 WeakPolarHBondContact O-CB 3.38Å; F132-L135 PolarHBondContact O-N 3.32Å; V133-L135 PolarHBondContact O-N 2.84Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 3.41Å; L135-E138 WeakPolarHBondContact O-CB 3.43Å; L135-E138 PolarHBondContact O-N 2.96Å; L135-F139 HydrophobicContact CD1-CD2 3.77Å; L135-F139 HydrophobicContact CD1-CE2 3.64Å; L135-F139 HydrophobicContact CG-CD2 4.13Å; L135-F139 HydrophobicContact CG-CE2 4.39Å; L135-F139 WeakPolarHBondContact O-CB 3.41Å; L135-F139 WeakPolarHBondContact O-CD2 3.34Å; L135-F139 PolarHBondContact O-N 3.16Å
136L98.8Very high98.4Very high0 Ų049.3 Ų49.30%024%0.24CC..Hα-helixtrans-59.6-41.9178.8-72.3174.1000111.7L85 L101 I110 P120 L121 A124 F132 V133 R134 F139 K140 A141L85-L136 HydrophobicContact CD2-CD2 4.42Å; L101-L136 HydrophobicContact CD1-CD2 4.12Å; I110-L136 HydrophobicContact CG1-CD2 4.34Å; P120-L136 HydrophobicContact CB-CD1 4.01Å; P120-L136 HydrophobicContact CB-CD2 4.22Å; L121-L136 HydrophobicContact CB-CD1 3.99Å; L121-L136 HydrophobicContact CD1-CB 4.19Å; L121-L136 HydrophobicContact CD1-CD1 3.95Å; A124-L136 HydrophobicContact CB-CD1 4.32Å; F132-L136 HydrophobicContact CD1-CD1 3.68Å; F132-L136 HydrophobicContact CD1-CG 3.81Å; F132-L136 HydrophobicContact CE1-CD1 3.72Å; F132-L136 HydrophobicContact CE1-CD2 3.98Å; F132-L136 HydrophobicContact CE1-CG 3.77Å; F132-L136 WeakPolarHBondContact O-CG 3.41Å; F132-L136 PolarHBondContact O-N 3.32Å; V133-L136 PolarHBondContact O-N 2.93Å; R134-L136 PolarHBondContact O-N 3.34Å; L136-F139 CarbonylContact O-C 3.58Å; L136-F139 WeakPolarHBondContact O-CA 3.31Å; L136-F139 PolarHBondContact O-N 3.3Å; L136-K140 PolarHBondContact O-N 2.9Å; L136-A141 HydrophobicContact CB-CB 3.91Å; L136-A141 VanDerWaalsContact O-CB 3.24Å; L136-A141 WeakPolarHBondContact O-CB 3.37Å; L136-A141 PolarHBondContact O-N 3.13Å
137L98.6Very high98.3Very high7 Ų748.3 Ų48.34%0.03724%0.236CC..Hα-helixtrans-71.1-36.4179.5-64.3167000112.8L121 V133 R134 L135 F139 K140 V143 I168 L169 H172L121-L137 HydrophobicContact CD1-CG 4.44Å; L121-L137 HydrophobicContact CD2-CD2 4.1Å; V133-L137 HydrophobicContact CG1-CD1 3.76Å; V133-L137 VanDerWaalsContact O-CG 3.26Å; V133-L137 WeakPolarHBondContact O-CG 3.08Å; V133-L137 PolarHBondContact O-N 3.45Å; V133-L137 VanDerWaalsContact O-N 3.08Å; R134-L137 PolarHBondContact O-N 3.47Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 3.41Å; L137-F139 PolarHBondContact O-N 2.87Å; L137-K140 PolarHBondContact O-N 3.2Å; L137-V143 HydrophobicContact CD2-CB 4.47Å; L137-V143 HydrophobicContact CD2-CG1 4.44Å; L137-V143 HydrophobicContact CD2-CG2 3.82Å; L137-I168 HydrophobicContact CD1-CG2 3.78Å; L137-L169 HydrophobicContact CD1-CD2 4.28Å; L137-H172 HydrophobicContact CD1-CB 3.89Å; L137-H172 HydrophobicContact CD2-CB 4.22Å; L137-H172 HydrophobicContact CG-CB 4.5Å
138E98.1Very high98.3Very high108 Ų10849.5 Ų49.551%0.50525%0.248SC..Hα-helixtrans-56.8-44.2169.7-75.9167.2-163.700110.4R98 R134 L135 K140R98-E138 IonicContact NH2-OE2 3.65Å; R134-E138 WeakPolarHBondContact O-CG 3.37Å; R134-E138 PolarHBondContact O-N 3.4Å; L135-E138 WeakPolarHBondContact O-CB 3.43Å; L135-E138 PolarHBondContact O-N 2.96Å; E138-K140 PolarHBondContact O-N 2.88Å
139F98.3Very high98.1Very high34 Ų3456.4 Ų56.415%0.14927%0.272CS..THydrogen-bonded Turntrans-78.719.6173.2-84.7-80.2000112.7L101 E102 R106 I110 L135 L136 L137 A141L101-F139 HydrophobicContact CB-CD1 3.89Å; L101-F139 HydrophobicContact CB-CD2 4.29Å; L101-F139 HydrophobicContact CB-CE1 3.9Å; L101-F139 HydrophobicContact CB-CE2 4.33Å; L101-F139 HydrophobicContact CB-CG 4.07Å; L101-F139 HydrophobicContact CB-CZ 4.13Å; L101-F139 HydrophobicContact CD1-CB 4.15Å; L101-F139 HydrophobicContact CD1-CD2 3.97Å; L101-F139 HydrophobicContact CD1-CG 4.02Å; E102-F139 HydrophobicContact CG-CE1 4.21Å; E102-F139 HydrophobicContact CG-CZ 3.81Å; R106-F139 VanDerWaalsContact NH1-CB 3.25Å; R106-F139 VanDerWaalsContact NH1-CD1 3.3Å; R106-F139 PolarHBondContact NH1-O 2.95Å; R106-F139 PolarHBondContact NH2-O 3.13Å; I110-F139 HydrophobicContact CD1-CB 3.81Å; I110-F139 WeakPolarHBondContact CD1-O 3.35Å; L135-F139 HydrophobicContact CD1-CD2 3.77Å; L135-F139 HydrophobicContact CD1-CE2 3.64Å; L135-F139 HydrophobicContact CG-CD2 4.13Å; L135-F139 HydrophobicContact CG-CE2 4.39Å; L135-F139 WeakPolarHBondContact O-CB 3.41Å; L135-F139 WeakPolarHBondContact O-CD2 3.34Å; L135-F139 PolarHBondContact O-N 3.16Å; L136-F139 CarbonylContact O-C 3.58Å; L136-F139 WeakPolarHBondContact O-CA 3.31Å; L136-F139 PolarHBondContact O-N 3.3Å; L137-F139 PolarHBondContact O-N 2.87Å; F139-A141 VanDerWaalsContact C-N 3.28Å; F139-A141 PolarHBondContact O-N 3.43Å
140K97.8Very high98Very high164 Ų16453.1 Ų53.171%0.71327%0.265SS*.THydrogen-bonded Turntrans57.333.5171.8-47.6-59.1-178-176.80114.9L136 L137 E138L136-K140 PolarHBondContact O-N 2.9Å; L137-K140 PolarHBondContact O-N 3.2Å; E138-K140 PolarHBondContact O-N 2.88Å
141A98.6Very high97.9Very high6 Ų652.3 Ų52.35%0.0526%0.262CS..  trans-56.2147.9165.300000109.9I110 L136 F139 V143I110-A141 HydrophobicContact CD1-CB 3.87Å; I110-A141 HydrophobicContact CG1-CB 3.78Å; L136-A141 HydrophobicContact CB-CB 3.91Å; L136-A141 VanDerWaalsContact O-CB 3.24Å; L136-A141 WeakPolarHBondContact O-CB 3.37Å; L136-A141 PolarHBondContact O-N 3.13Å; F139-A141 VanDerWaalsContact C-N 3.28Å; F139-A141 PolarHBondContact O-N 3.43Å; A141-V143 PolarHBondContact O-N 3.13Å
142E98.5Very high97.9Very high103 Ų10348.6 Ų48.648%0.48124%0.236SC..  trans-59132.3171.2-78.2163.7-143.400109.3N111 L121 P145N111-E142 WeakPolarHBondContact ND2-CG 3.5Å; N111-E142 PolarHBondContact ND2-OE1 3.43Å; N111-E142 PolarHBondContact OD1-N 3.01Å; L121-E142 WeakPolarHBondContact CD2-O 3.27Å; E142-P145 HydrophobicContact CB-CB 4.31Å; E142-P145 HydrophobicContact CB-CG 4.32Å; E142-P145 WeakPolarHBondContact O-CD 3.5Å
143V98.2Very high97.9Very high35 Ų3548.5 Ų48.521%0.21224%0.235CC..SBendtrans-80.7-39.9-175.1-174.20000111.7L137 A141 P145 A174L137-V143 HydrophobicContact CD2-CB 4.47Å; L137-V143 HydrophobicContact CD2-CG1 4.44Å; L137-V143 HydrophobicContact CD2-CG2 3.82Å; A141-V143 PolarHBondContact O-N 3.13Å; V143-P145 VanDerWaalsContact O-CD 3.31Å; V143-P145 WeakPolarHBondContact O-CD 3.43Å; V143-A174 HydrophobicContact CG1-CB 3.58Å
144D98.1Very high97.9Very high46 Ų4648.5 Ų48.525%0.24624%0.235CC..SBendtrans-116.543.1-176.1-63.1-46.3000114.3L146 N175 I178D144-L146 PolarHBondContact O-N 3.41Å; D144-N175 PolarHBondContact OD1-N 3.14Å; D144-N175 WeakPolarHBondContact OD2-CB 3.26Å; D144-N175 PolarHBondContact OD2-N 3.5Å; D144-I178 HydrophobicContact CB-CD1 3.57Å
145P98Very high97.9Very high6 Ų643.9 Ų43.94%0.03922%0.218CC..PPolyproline II helixtrans-63.5143.1174.428.3-32.2000109T119 H122 E142 V143 P153T119-P145 HydrophobicContact CG2-CB 3.89Å; T119-P145 HydrophobicContact CG2-CG 4Å; H122-P145 PolarHBondContact CE1-O 2.92Å; H122-P145 PolarHBondContact NE2-O 2.83Å; H122-P145 VanDerWaalsContact NE2-O 3.15Å; E142-P145 HydrophobicContact CB-CB 4.31Å; E142-P145 HydrophobicContact CB-CG 4.32Å; E142-P145 WeakPolarHBondContact O-CD 3.5Å; V143-P145 VanDerWaalsContact O-CD 3.31Å; V143-P145 WeakPolarHBondContact O-CD 3.43Å; P145-P153 HydrophobicContact CG-CG 3.95Å; P145-P153 WeakPolarHBondContact O-CD 3.43Å
146L97.9Very high97.9Very high78 Ų7844.4 Ų44.441%0.40822%0.221SC..PPolyproline II helixtrans-95.5129.5174.8-58179.8000110.1K113 D144 G150 T152 I178K113-L146 PolarHBondContact NZ-O 3.03Å; D144-L146 PolarHBondContact O-N 3.41Å; L146-G150 WeakPolarHBondContact CD2-O 3.28Å; L146-T152 HydrophobicContact CD2-CG2 3.7Å; L146-I178 HydrophobicContact CD2-CG2 4.04Å
147S98Very high97.8Very high6 Ų644.4 Ų44.44%0.04222%0.221CC..PPolyproline II helixtrans-65.8172.6161.174.90000111.1K149 G150 T151S147-K149 PolarHBondContact O-N 2.91Å; S147-K149 VanDerWaalsContact O-N 3.16Å; S147-K149 PolarHBondContact OG-N 2.81Å; S147-G150 WeakPolarHBondContact O-CA 3.39Å; S147-G150 PolarHBondContact O-N 3.41Å; S147-T151 PolarHBondContact N-O 2.83Å; S147-T151 WeakPolarHBondContact OG-CB 3.44Å; S147-T151 PolarHBondContact OG-N 3.17Å; S147-T151 PolarHBondContact OG-O 3.26Å
148D97.4Very high97.8Very high113 Ų11344.1 Ų44.160%0.60422%0.219SC*.THydrogen-bonded Turntrans-67-19.3-180-62.4-16.6000112.3D116 G117 G150D116-D148 PolarHBondContact O-N 2.84Å; D116-D148 VanDerWaalsContact O-N 3.09Å; G117-D148 WeakPolarHBondContact CA-OD1 3.44Å; G117-D148 PolarHBondContact N-OD2 3.12Å; D148-G150 VanDerWaalsContact C-N 3.27Å
149K94.9Very high97.7Very high166 Ų16642.3 Ų42.372%0.72221%0.212SC*.THydrogen-bonded Turntrans-89.610.7171.2-59.7-178.6-176.1174.10112.8S147 T151S147-K149 PolarHBondContact O-N 2.91Å; S147-K149 VanDerWaalsContact O-N 3.16Å; S147-K149 PolarHBondContact OG-N 2.81Å; K149-T151 PolarHBondContact O-N 2.82Å
150G95.4Very high97.6Very high17 Ų1745.9 Ų45.918%0.17523%0.225CC..  trans69.213.9-177.900000114.6L146 S147 D148 Q179L146-G150 WeakPolarHBondContact CD2-O 3.28Å; S147-G150 WeakPolarHBondContact O-CA 3.39Å; S147-G150 PolarHBondContact O-N 3.41Å; D148-G150 VanDerWaalsContact C-N 3.27Å; G150-Q179 PolarHBondContact O-NE2 3.26Å
151T96.8Very high97.5Very high27 Ų2745.3 Ų45.317%0.16623%0.225CC..  trans-83.7138.6-176-44.80000110.9H122 S147 K149 Q155 L156H122-T151 PolarHBondContact NE2-O 3.45Å; S147-T151 PolarHBondContact N-O 2.83Å; S147-T151 WeakPolarHBondContact OG-CB 3.44Å; S147-T151 PolarHBondContact OG-N 3.17Å; S147-T151 PolarHBondContact OG-O 3.26Å; K149-T151 PolarHBondContact O-N 2.82Å; T151-Q155 HydrophobicContact CG2-CB 3.78Å; T151-L156 HydrophobicContact CG2-CD2 3.81Å; T151-L156 HydrophobicContact CG2-CG 3.85Å
152T98.4Very high97.4Very high1 Ų149 Ų491%0.00624%0.237CC..  trans-93.3162.8173.769.70000112.6L146 L154 Q155 L156 I178L146-T152 HydrophobicContact CD2-CG2 3.7Å; T152-L154 VanDerWaalsContact C-N 3.27Å; T152-L154 PolarHBondContact O-N 2.75Å; T152-Q155 PolarHBondContact O-N 3Å; T152-Q155 WeakPolarHBondContact OG1-CG 3.37Å; T152-Q155 PolarHBondContact OG1-N 2.79Å; T152-Q155 VanDerWaalsContact OG1-N 3.16Å; T152-L156 PolarHBondContact O-N 3.36Å; T152-L156 VanDerWaalsContact O-N 3.12Å; T152-I178 HydrophobicContact CG2-CB 4.23Å; T152-I178 HydrophobicContact CG2-CD1 3.7Å; T152-I178 HydrophobicContact CG2-CG2 3.7Å
153P98.7Very high97.3Very high0 Ų047 Ų470%024%0.235CC..Hα-helixtrans-57.2-38.6171.1-25.835.4000113.1L121 A125 P145 L156 A157 L169L121-P153 HydrophobicContact CB-CG 4.23Å; L121-P153 HydrophobicContact CD2-CB 4.26Å; L121-P153 HydrophobicContact CD2-CG 3.97Å; L121-P153 HydrophobicContact CG-CB 3.92Å; L121-P153 HydrophobicContact CG-CG 3.89Å; A125-P153 HydrophobicContact CB-CB 3.93Å; A125-P153 WeakPolarHBondContact CB-O 3.47Å; P145-P153 HydrophobicContact CG-CG 3.95Å; P145-P153 WeakPolarHBondContact O-CD 3.43Å; P153-L156 PolarHBondContact O-N 2.86Å; P153-A157 PolarHBondContact O-N 2.94Å; P153-L169 HydrophobicContact CB-CD1 4.27Å; P153-L169 HydrophobicContact CB-CD2 4.43Å
154L98.5Very high97.2Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-62.5-43.4177.5177.562.4000111.7T152 L156 A157 I158 V166 L169 L170 A174 I176 L183T152-L154 VanDerWaalsContact C-N 3.27Å; T152-L154 PolarHBondContact O-N 2.75Å; L154-L156 PolarHBondContact O-N 2.92Å; L154-A157 PolarHBondContact O-N 2.97Å; L154-I158 HydrophobicContact CD1-CD1 3.86Å; L154-I158 HydrophobicContact CD1-CG1 4.44Å; L154-I158 HydrophobicContact CG-CD1 3.89Å; L154-I158 WeakPolarHBondContact O-CD1 2.9Å; L154-I158 WeakPolarHBondContact O-CG1 3.4Å; L154-I158 PolarHBondContact O-N 3.18Å; L154-V166 HydrophobicContact CD1-CB 4.42Å; L154-V166 HydrophobicContact CD1-CG1 3.91Å; L154-L169 HydrophobicContact CB-CD1 4.18Å; L154-L169 HydrophobicContact CD1-CB 4.09Å; L154-L169 HydrophobicContact CD1-CD1 4.38Å; L154-L170 HydrophobicContact CD1-CD2 4.13Å; L154-L170 HydrophobicContact CD1-CG 4.05Å; L154-L170 HydrophobicContact CD2-CD2 3.6Å; L154-L170 HydrophobicContact CD2-CG 4.42Å; L154-A174 HydrophobicContact CB-CB 4.31Å; L154-A174 HydrophobicContact CD2-CB 3.87Å; L154-I176 HydrophobicContact CD2-CG1 4.38Å; L154-L183 HydrophobicContact CD2-CD1 3.44Å; L154-L183 VanDerWaalsContact CD2-CD1 3.44Å; L154-L183 HydrophobicContact CG-CD1 3.69Å
155Q98.1Very high97.3Very high2 Ų245.4 Ų45.41%0.00923%0.229CC..Hα-helixtrans-61.4-43.3175.3-71172-17.100112.1T151 T152 I158 I159 F182 L183T151-Q155 HydrophobicContact CG2-CB 3.78Å; T152-Q155 PolarHBondContact O-N 3Å; T152-Q155 WeakPolarHBondContact OG1-CG 3.37Å; T152-Q155 PolarHBondContact OG1-N 2.79Å; T152-Q155 VanDerWaalsContact OG1-N 3.16Å; Q155-I158 PolarHBondContact O-N 3.12Å; Q155-I159 WeakPolarHBondContact O-CB 3.42Å; Q155-I159 WeakPolarHBondContact O-CD1 3.45Å; Q155-I159 VanDerWaalsContact O-CG1 3.26Å; Q155-I159 WeakPolarHBondContact O-CG1 3.34Å; Q155-I159 PolarHBondContact O-N 3.11Å; Q155-F182 HydrophobicContact CG-CD1 4.04Å; Q155-F182 HydrophobicContact CG-CE1 4.44Å; Q155-L183 HydrophobicContact CB-CD2 4.19Å; Q155-L183 HydrophobicContact CG-CD1 4.45Å; Q155-L183 HydrophobicContact CG-CD2 3.57Å; Q155-L183 HydrophobicContact CG-CG 4.05Å
156L98.1Very high97.2Very high14 Ų1445.1 Ų45.17%0.07323%0.227CC..Hα-helixtrans-62.9-43175-68.9179.4000112.2W118 H122 H126 T151 T152 P153 L154 I158 I159 R160W118-L156 HydrophobicContact CD2-CD1 4.32Å; W118-L156 HydrophobicContact CE3-CD1 4.32Å; W118-L156 HydrophobicContact CH2-CD1 3.99Å; W118-L156 HydrophobicContact CH2-CD2 4.46Å; W118-L156 HydrophobicContact CZ2-CD1 3.91Å; W118-L156 HydrophobicContact CZ2-CD2 4.21Å; W118-L156 HydrophobicContact CZ3-CD1 4.18Å; H122-L156 HydrophobicContact CB-CD1 3.94Å; H126-L156 HydrophobicContact CB-CB 4.48Å; H126-L156 HydrophobicContact CB-CD1 4.4Å; T151-L156 HydrophobicContact CG2-CD2 3.81Å; T151-L156 HydrophobicContact CG2-CG 3.85Å; T152-L156 PolarHBondContact O-N 3.36Å; T152-L156 VanDerWaalsContact O-N 3.12Å; P153-L156 PolarHBondContact O-N 2.86Å; L154-L156 PolarHBondContact O-N 2.92Å; L156-I158 VanDerWaalsContact C-N 3.29Å; L156-I158 PolarHBondContact O-N 3.09Å; L156-I159 PolarHBondContact O-N 3.36Å; L156-R160 VanDerWaalsContact O-CB 3.3Å; L156-R160 WeakPolarHBondContact O-CB 3.05Å; L156-R160 VanDerWaalsContact O-CG 3.29Å; L156-R160 WeakPolarHBondContact O-CG 3.44Å; L156-R160 PolarHBondContact O-N 3.08Å
157A98.3Very high97.1Very high0 Ų047.1 Ų47.10%023%0.232CC..Hα-helixtrans-59.9-40.1176.600000111.6A125 P153 L154 R160 E161 R162 C165 V166 L169A125-A157 HydrophobicContact CB-CB 4.25Å; P153-A157 PolarHBondContact O-N 2.94Å; L154-A157 PolarHBondContact O-N 2.97Å; A157-R160 CarbonylContact O-C 3.59Å; A157-E161 PolarHBondContact O-N 3.39Å; A157-E161 VanDerWaalsContact O-N 3.12Å; A157-R162 HydrophobicContact CB-CB 4.18Å; A157-R162 PolarHBondContact O-N 3.26Å; A157-C165 HydrophobicContact CB-CB 4.01Å; A157-V166 HydrophobicContact CB-CG2 3.74Å; A157-L169 HydrophobicContact CB-CD1 4.23Å
158I97.2Very high97.1Very high1 Ų147.2 Ų47.21%0.00523%0.232CC..Hα-helixtrans-70.1-48.8179.3-71161000111.3L154 Q155 L156 R160 E161 V166 L183 Y186 Y195 F199L154-I158 HydrophobicContact CD1-CD1 3.86Å; L154-I158 HydrophobicContact CD1-CG1 4.44Å; L154-I158 HydrophobicContact CG-CD1 3.89Å; L154-I158 WeakPolarHBondContact O-CD1 2.9Å; L154-I158 WeakPolarHBondContact O-CG1 3.4Å; L154-I158 PolarHBondContact O-N 3.18Å; Q155-I158 PolarHBondContact O-N 3.12Å; L156-I158 VanDerWaalsContact C-N 3.29Å; L156-I158 PolarHBondContact O-N 3.09Å; I158-R160 PolarHBondContact O-N 3.2Å; I158-E161 PolarHBondContact O-N 3.44Å; I158-V166 HydrophobicContact CD1-CG1 4.32Å; I158-V166 HydrophobicContact CG1-CG1 4.06Å; I158-V166 HydrophobicContact CG1-CG2 3.56Å; I158-L183 HydrophobicContact CB-CD2 4.27Å; I158-L183 HydrophobicContact CD1-CB 4.42Å; I158-L183 HydrophobicContact CD1-CD1 3.62Å; I158-L183 HydrophobicContact CD1-CD2 3.33Å; I158-L183 HydrophobicContact CD1-CG 3.97Å; I158-L183 HydrophobicContact CG1-CD2 4.37Å; I158-L183 HydrophobicContact CG2-CD2 4.35Å; I158-Y186 HydrophobicContact CG2-CD1 4.01Å; I158-Y186 HydrophobicContact CG2-CE1 4.15Å; I158-Y195 HydrophobicContact CG2-CD2 4.14Å; I158-Y195 HydrophobicContact CG2-CE2 3.97Å; I158-F199 HydrophobicContact CD1-CE1 3.67Å; I158-F199 HydrophobicContact CD1-CE2 4.24Å; I158-F199 HydrophobicContact CD1-CZ 3.29Å; I158-F199 HydrophobicContact CG1-CE1 4.45Å; I158-F199 HydrophobicContact CG1-CZ 3.93Å; I158-F199 HydrophobicContact CG2-CZ 4.38Å
159I95.9Very high97.1Very high69 Ų6941.8 Ų41.835%0.35420%0.203SC..Hα-helixtrans-61-32.1178.9-68.1165000111.3Q155 L156 F182 Y186Q155-I159 WeakPolarHBondContact O-CB 3.42Å; Q155-I159 WeakPolarHBondContact O-CD1 3.45Å; Q155-I159 VanDerWaalsContact O-CG1 3.26Å; Q155-I159 WeakPolarHBondContact O-CG1 3.34Å; Q155-I159 PolarHBondContact O-N 3.11Å; L156-I159 PolarHBondContact O-N 3.36Å; I159-F182 HydrophobicContact CD1-CE1 4.35Å; I159-F182 HydrophobicContact CD1-CZ 4.46Å; I159-Y186 HydrophobicContact CG1-CE2 4.34Å
160R96.8Very high97.1Very high109 Ų10934.5 Ų34.541%0.41117%0.172SC..THydrogen-bonded Turntrans-94.79.7178-59.9-54.6-57.8-120.24.6113.9H126 L156 A157 I158 R162H126-R160 PolarHBondContact CE1-NH1 2.8Å; H126-R160 VanDerWaalsContact CE1-NH1 3.26Å; H126-R160 PolarHBondContact NE2-NH1 3.06Å; L156-R160 VanDerWaalsContact O-CB 3.3Å; L156-R160 WeakPolarHBondContact O-CB 3.05Å; L156-R160 VanDerWaalsContact O-CG 3.29Å; L156-R160 WeakPolarHBondContact O-CG 3.44Å; L156-R160 PolarHBondContact O-N 3.08Å; A157-R160 CarbonylContact O-C 3.59Å; I158-R160 PolarHBondContact O-N 3.2Å; R160-R162 VanDerWaalsContact C-N 3.29Å; R160-R162 HydrophobicContact CB-CG 3.93Å; R160-R162 VanDerWaalsContact O-CD 3.25Å; R160-R162 WeakPolarHBondContact O-CD 3.46Å; R160-R162 PolarHBondContact O-N 2.95Å; R160-R162 PolarHBondContact O-NE 3.47Å
161E95.6Very high97Very high153 Ų15338.5 Ų38.572%0.71519%0.189SC*.THydrogen-bonded Turntrans55.738.8176.7-58.7178.9-178.100113.9A157 I158 S163A157-E161 PolarHBondContact O-N 3.39Å; A157-E161 VanDerWaalsContact O-N 3.12Å; I158-E161 PolarHBondContact O-N 3.44Å; E161-S163 PolarHBondContact O-N 2.86Å
162R97.6Very high97Very high83 Ų8340.8 Ų40.831%0.31320%0.198SC..  trans-90.764.4180-51-50.8-171.7-166.60.7111.2A125 H126 A157 R160 S164 C165 V166A125-R162 WeakPolarHBondContact O-CG 3.18Å; H126-R162 PolarHBondContact O-NE 3.49Å; A157-R162 HydrophobicContact CB-CB 4.18Å; A157-R162 PolarHBondContact O-N 3.26Å; R160-R162 VanDerWaalsContact C-N 3.29Å; R160-R162 HydrophobicContact CB-CG 3.93Å; R160-R162 VanDerWaalsContact O-CD 3.25Å; R160-R162 WeakPolarHBondContact O-CD 3.46Å; R160-R162 PolarHBondContact O-N 2.95Å; R160-R162 PolarHBondContact O-NE 3.47Å; R162-S164 PolarHBondContact O-N 3.18Å; R162-C165 HydrophobicContact CB-CB 3.94Å; R162-C165 WeakPolarHBondContact O-CB 3.28Å; R162-C165 PolarHBondContact O-N 2.87Å; R162-V166 WeakPolarHBondContact O-CG2 3.48Å; R162-V166 PolarHBondContact O-N 3.04Å
163S95.3Very high96.6Very high62 Ų6245.1 Ų45.143%0.43422%0.221SC..Hα-helixtrans-51.7-34.3-171.3-53.50000115.1E161 K167 Y195E161-S163 PolarHBondContact O-N 2.86Å; S163-K167 WeakPolarHBondContact O-CG 3.44Å; S163-K167 PolarHBondContact O-N 3.24Å; S163-K167 VanDerWaalsContact O-N 3.14Å; S163-Y195 PolarHBondContact OG-OH 3.05Å
164S97.1Very high96.5Very high47 Ų4745.5 Ų45.533%0.32922%0.224SC..Hα-helixtrans-69.8-47.6176.8-176.20000111.9D130 R162 V166 K167 I168D130-S164 VanDerWaalsContact CG-CB 3.45Å; D130-S164 WeakPolarHBondContact OD1-CB 3.31Å; D130-S164 PolarHBondContact OD1-OG 3.3Å; D130-S164 WeakPolarHBondContact OD2-CB 3.47Å; D130-S164 PolarHBondContact OD2-OG 3.25Å; R162-S164 PolarHBondContact O-N 3.18Å; S164-V166 VanDerWaalsContact C-N 3.28Å; S164-V166 PolarHBondContact O-N 2.89Å; S164-K167 PolarHBondContact O-N 3.04Å; S164-I168 WeakPolarHBondContact O-CD1 3.44Å; S164-I168 VanDerWaalsContact O-CG1 3.27Å; S164-I168 WeakPolarHBondContact O-CG1 3.04Å; S164-I168 PolarHBondContact O-N 3.28Å
165C98.3Very high96.3Very high0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-57.2-40170.9-73.70000112.4D130 A157 R162 I168 L169D130-C165 PolarHBondContact OD1-N 3.06Å; D130-C165 PolarHBondContact OD1-SG 3.38Å; A157-C165 HydrophobicContact CB-CB 4.01Å; R162-C165 HydrophobicContact CB-CB 3.94Å; R162-C165 WeakPolarHBondContact O-CB 3.28Å; R162-C165 PolarHBondContact O-N 2.87Å; C165-I168 PolarHBondContact O-N 3.36Å; C165-L169 WeakPolarHBondContact O-CB 3.41Å; C165-L169 WeakPolarHBondContact O-CG 3.38Å; C165-L169 PolarHBondContact O-N 2.61Å
166V97.5Very high96.1Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-58.3-49.8176.3177.70000110.8L154 A157 I158 R162 S164 I168 L169 L170 M198 F199L154-V166 HydrophobicContact CD1-CB 4.42Å; L154-V166 HydrophobicContact CD1-CG1 3.91Å; A157-V166 HydrophobicContact CB-CG2 3.74Å; I158-V166 HydrophobicContact CD1-CG1 4.32Å; I158-V166 HydrophobicContact CG1-CG1 4.06Å; I158-V166 HydrophobicContact CG1-CG2 3.56Å; R162-V166 WeakPolarHBondContact O-CG2 3.48Å; R162-V166 PolarHBondContact O-N 3.04Å; S164-V166 VanDerWaalsContact C-N 3.28Å; S164-V166 PolarHBondContact O-N 2.89Å; V166-I168 PolarHBondContact O-N 3.22Å; V166-L169 PolarHBondContact O-N 3.47Å; V166-L170 HydrophobicContact CG1-CD1 3.79Å; V166-L170 HydrophobicContact CG1-CG 4.4Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 WeakPolarHBondContact O-CG 3.18Å; V166-L170 PolarHBondContact O-N 3.43Å; V166-M198 HydrophobicContact CB-CE 4.42Å; V166-M198 HydrophobicContact CG1-CE 3.33Å; V166-M198 HydrophobicContact CG1-SD 4.49Å; V166-F199 HydrophobicContact CG1-CE1 4.39Å
167K95.8Very high96Very high119 Ų11949 Ų4952%0.51724%0.243SC..Hα-helixtrans-58.8-47.6177.2-70.4174-178.3-179.20111.6S163 S164 L169 L170 D171 M198S163-K167 WeakPolarHBondContact O-CG 3.44Å; S163-K167 PolarHBondContact O-N 3.24Å; S163-K167 VanDerWaalsContact O-N 3.14Å; S164-K167 PolarHBondContact O-N 3.04Å; K167-L169 PolarHBondContact O-N 3.06Å; K167-L170 PolarHBondContact O-N 3.48Å; K167-D171 WeakPolarHBondContact O-CB 3.38Å; K167-D171 PolarHBondContact O-N 3.35Å; K167-M198 HydrophobicContact CG-SD 4.44Å
168I97.9Very high95.8Very high8 Ų850.6 Ų50.64%0.04125%0.251CS..Hα-helixtrans-58.8-49-179.7-63.5159.5000111.1D130 V133 R134 L137 S164 C165 V166 L170 D171 H172D130-I168 HydrophobicContact CB-CD1 3.79Å; V133-I168 HydrophobicContact CG1-CB 4.33Å; V133-I168 HydrophobicContact CG1-CG2 3.71Å; R134-I168 HydrophobicContact CG-CD1 4.18Å; R134-I168 HydrophobicContact CG-CG1 4.31Å; R134-I168 HydrophobicContact CG-CG2 3.75Å; R134-I168 VanDerWaalsContact NH1-CG1 3.33Å; L137-I168 HydrophobicContact CD1-CG2 3.78Å; S164-I168 WeakPolarHBondContact O-CD1 3.44Å; S164-I168 VanDerWaalsContact O-CG1 3.27Å; S164-I168 WeakPolarHBondContact O-CG1 3.04Å; S164-I168 PolarHBondContact O-N 3.28Å; C165-I168 PolarHBondContact O-N 3.36Å; V166-I168 PolarHBondContact O-N 3.22Å; I168-L170 VanDerWaalsContact C-N 3.35Å; I168-L170 PolarHBondContact O-N 3.03Å; I168-D171 PolarHBondContact O-N 3.24Å; I168-H172 PolarHBondContact O-CD2 3.02Å; I168-H172 VanDerWaalsContact O-CD2 3.3Å; I168-H172 PolarHBondContact O-N 3.47Å; I168-H172 VanDerWaalsContact O-N 3.08Å
169L98.1Very high95.5Very high0 Ų054.3 Ų54.30%027%0.269CS..Hα-helixtrans-62.6-43.2-179.2-73165.5000111.3L121 A125 V133 L137 P153 L154 A157 C165 V166 K167 D171 H172 N173 A174L121-L169 HydrophobicContact CD1-CD2 4.24Å; L121-L169 HydrophobicContact CD2-CD2 4.1Å; L121-L169 HydrophobicContact CG-CD2 4.36Å; A125-L169 HydrophobicContact CB-CD1 4.27Å; V133-L169 HydrophobicContact CG1-CD2 4.1Å; V133-L169 HydrophobicContact CG1-CG 4.16Å; L137-L169 HydrophobicContact CD1-CD2 4.28Å; P153-L169 HydrophobicContact CB-CD1 4.27Å; P153-L169 HydrophobicContact CB-CD2 4.43Å; L154-L169 HydrophobicContact CB-CD1 4.18Å; L154-L169 HydrophobicContact CD1-CB 4.09Å; L154-L169 HydrophobicContact CD1-CD1 4.38Å; A157-L169 HydrophobicContact CB-CD1 4.23Å; C165-L169 WeakPolarHBondContact O-CB 3.41Å; C165-L169 WeakPolarHBondContact O-CG 3.38Å; C165-L169 PolarHBondContact O-N 2.61Å; V166-L169 PolarHBondContact O-N 3.47Å; K167-L169 PolarHBondContact O-N 3.06Å; L169-D171 VanDerWaalsContact C-N 3.34Å; L169-D171 PolarHBondContact O-N 3.43Å; L169-H172 CarbonylContact O-C 3.59Å; L169-H172 VanDerWaalsContact O-C 3.31Å; L169-H172 WeakPolarHBondContact O-CA 3.32Å; L169-H172 PolarHBondContact O-N 3.48Å; L169-H172 VanDerWaalsContact O-N 3.14Å; L169-N173 PolarHBondContact O-N 3.02Å; L169-A174 HydrophobicContact CB-CB 4Å; L169-A174 WeakPolarHBondContact O-CB 3.48Å; L169-A174 PolarHBondContact O-N 3.05Å
170L94.4Very high95.3Very high13 Ų1354.1 Ų54.17%0.06827%0.268CS..Hα-helixtrans-66.6-34.2176.6-65.3174.2000112.7L154 V166 K167 I168 H172 N173 I176 M198 F199 R202L154-L170 HydrophobicContact CD1-CD2 4.13Å; L154-L170 HydrophobicContact CD1-CG 4.05Å; L154-L170 HydrophobicContact CD2-CD2 3.6Å; L154-L170 HydrophobicContact CD2-CG 4.42Å; V166-L170 HydrophobicContact CG1-CD1 3.79Å; V166-L170 HydrophobicContact CG1-CG 4.4Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 WeakPolarHBondContact O-CG 3.18Å; V166-L170 PolarHBondContact O-N 3.43Å; K167-L170 PolarHBondContact O-N 3.48Å; I168-L170 VanDerWaalsContact C-N 3.35Å; I168-L170 PolarHBondContact O-N 3.03Å; L170-H172 PolarHBondContact O-N 3.34Å; L170-N173 PolarHBondContact O-N 2.88Å; L170-I176 HydrophobicContact CD2-CD1 3.67Å; L170-I176 HydrophobicContact CD2-CG1 3.45Å; L170-I176 VanDerWaalsContact CD2-CG1 3.45Å; L170-M198 HydrophobicContact CD1-CE 4.09Å; L170-M198 HydrophobicContact CD1-CG 4.36Å; L170-M198 HydrophobicContact CD1-SD 4.31Å; L170-F199 HydrophobicContact CD1-CE1 4.49Å; L170-R202 HydrophobicContact CD1-CG 4.32Å; L170-R202 PolarHBondContact O-NH1 3Å
171D93.7Very high95Very high100 Ų10049 Ų4954%0.53525%0.249SC..Hα-helixtrans-68.3-23.3174.7-66.1-14.9000111.7K167 I168 L169 R202K167-D171 WeakPolarHBondContact O-CB 3.38Å; K167-D171 PolarHBondContact O-N 3.35Å; I168-D171 PolarHBondContact O-N 3.24Å; L169-D171 VanDerWaalsContact C-N 3.34Å; L169-D171 PolarHBondContact O-N 3.43Å; D171-R202 IonicContact OD1-CZ 3.54Å; D171-R202 IonicContact OD1-NH1 3.74Å; D171-R202 PolarHBondContact OD1-NH1 3Å; D171-R202 IonicContact OD1-NH2 3Å; D171-R202 PolarHBondContact OD1-NH2 3.41Å
172H95.1Very high94.9Very high75 Ų7544.5 Ų44.535%0.34723%0.227SC..THydrogen-bonded Turntrans-98.528.9172.5-77.7-95.4000113.1L137 I168 L169 L170 A174L137-H172 HydrophobicContact CD1-CB 3.89Å; L137-H172 HydrophobicContact CD2-CB 4.22Å; L137-H172 HydrophobicContact CG-CB 4.5Å; I168-H172 PolarHBondContact O-CD2 3.02Å; I168-H172 VanDerWaalsContact O-CD2 3.3Å; I168-H172 PolarHBondContact O-N 3.47Å; I168-H172 VanDerWaalsContact O-N 3.08Å; L169-H172 CarbonylContact O-C 3.59Å; L169-H172 VanDerWaalsContact O-C 3.31Å; L169-H172 WeakPolarHBondContact O-CA 3.32Å; L169-H172 PolarHBondContact O-N 3.48Å; L169-H172 VanDerWaalsContact O-N 3.14Å; L170-H172 PolarHBondContact O-N 3.34Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 3.45Å
173N91.6Very high94.9Very high92 Ų9240.6 Ų40.649%0.49221%0.213SC..THydrogen-bonded Turntrans63.726.9171.7-60.9101.2000115.5L169 L170 N175L169-N173 PolarHBondContact O-N 3.02Å; L170-N173 PolarHBondContact O-N 2.88Å; N173-N175 PolarHBondContact O-N 3.3Å
174A95.7Very high94.9Very high8 Ų837.6 Ų37.67%0.06619%0.192CC..  trans-56.4131170.700000111.1V143 L154 L169 H172 I176V143-A174 HydrophobicContact CG1-CB 3.58Å; L154-A174 HydrophobicContact CB-CB 4.31Å; L154-A174 HydrophobicContact CD2-CB 3.87Å; L169-A174 HydrophobicContact CB-CB 4Å; L169-A174 WeakPolarHBondContact O-CB 3.48Å; L169-A174 PolarHBondContact O-N 3.05Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 3.45Å; A174-I176 PolarHBondContact O-N 3.32Å
175N94.6Very high94.9Very high45 Ų4536.1 Ų36.124%0.24118%0.179CC..  trans-78115.9-176.1-175.3-2.8000111.5D144 N173 D177 I178 Q293D144-N175 PolarHBondContact OD1-N 3.14Å; D144-N175 WeakPolarHBondContact OD2-CB 3.26Å; D144-N175 PolarHBondContact OD2-N 3.5Å; N173-N175 PolarHBondContact O-N 3.3Å; N175-D177 VanDerWaalsContact C-N 3.3Å; N175-D177 PolarHBondContact O-N 2.98Å; N175-D177 PolarHBondContact OD1-N 2.99Å; N175-I178 HydrophobicContact CB-CD1 3.87Å; N175-I178 HydrophobicContact CB-CG1 3.96Å; N175-Q293 PolarHBondContact OD1-NE2 3Å; N175-Q293 VanDerWaalsContact OD1-NE2 3.13Å
176I94.1Very high94.8Very high10 Ų1038.6 Ų38.65%0.05119%0.189CC..THydrogen-bonded Turntrans-71.8-26.3-177.4-60.4172.4000112.4L154 L170 A174 L183 F199 R202 A204L154-I176 HydrophobicContact CD2-CG1 4.38Å; L170-I176 HydrophobicContact CD2-CD1 3.67Å; L170-I176 HydrophobicContact CD2-CG1 3.45Å; L170-I176 VanDerWaalsContact CD2-CG1 3.45Å; A174-I176 PolarHBondContact O-N 3.32Å; I176-L183 HydrophobicContact CG2-CB 4.13Å; I176-L183 HydrophobicContact CG2-CD1 4.19Å; I176-F199 HydrophobicContact CD1-CD1 4.5Å; I176-F199 HydrophobicContact CG2-CB 4.2Å; I176-F199 HydrophobicContact CG2-CD1 4.44Å; I176-F199 HydrophobicContact CG2-CG 4.28Å; I176-R202 HydrophobicContact CD1-CB 3.36Å; I176-R202 HydrophobicContact CD1-CG 4.4Å; I176-A204 HydrophobicContact CG2-CB 3.79Å
177D94.7Very high94.7Very high35 Ų3538.6 Ų38.619%0.18719%0.189CC..THydrogen-bonded Turntrans-93.15.2-168.7-66.3-35.6000113.8N175 N180 G181 D205 L208N175-D177 VanDerWaalsContact C-N 3.3Å; N175-D177 PolarHBondContact O-N 2.98Å; N175-D177 PolarHBondContact OD1-N 2.99Å; D177-N180 PolarHBondContact O-N 2.87Å; D177-G181 PolarHBondContact O-N 2.91Å; D177-D205 PolarHBondContact OD1-N 3.41Å; D177-D205 PolarHBondContact OD2-N 2.98Å; D177-L208 HydrophobicContact CB-CD1 3.71Å
178I94.1Very high94.8Very high33 Ų3333 Ų3317%0.16917%0.165CC..Hα-helixtrans-56.6141.9173.6-70.8173.7000110.6D144 L146 T152 N175D144-I178 HydrophobicContact CB-CD1 3.57Å; L146-I178 HydrophobicContact CD2-CG2 4.04Å; T152-I178 HydrophobicContact CG2-CB 4.23Å; T152-I178 HydrophobicContact CG2-CD1 3.7Å; T152-I178 HydrophobicContact CG2-CG2 3.7Å; N175-I178 HydrophobicContact CB-CD1 3.87Å; N175-I178 HydrophobicContact CB-CG1 3.96Å
179Q91.8Very high94.7Very high79 Ų7935.7 Ų35.737%0.36918%0.179SC..Hα-helixtrans57.846.6-171.6-63.2-174.2-21.300113.1G150 G181 F182 R185G150-Q179 PolarHBondContact O-NE2 3.26Å; Q179-G181 PolarHBondContact O-N 2.85Å; Q179-F182 HydrophobicContact CB-CB 4.09Å; Q179-F182 PolarHBondContact O-N 2.9Å; Q179-R185 PolarHBondContact O-NH2 3.05Å; Q179-R185 VanDerWaalsContact O-NH2 3.15Å
180N92.2Very high94.5Very high65 Ų6541.7 Ų41.735%0.34821%0.205SC..Hα-helixtrans55.348.2179-59.7-51.5000112.3D177 F182 R185 L208 L211D177-N180 PolarHBondContact O-N 2.87Å; N180-F182 PolarHBondContact O-N 3.35Å; N180-R185 PolarHBondContact O-NH1 3.36Å; N180-R185 PolarHBondContact O-NH2 3.09Å; N180-L208 WeakPolarHBondContact O-CB 3.4Å; N180-L211 WeakPolarHBondContact ND2-CD1 3.13Å; N180-L211 WeakPolarHBondContact ND2-CD2 3.45Å; N180-L211 WeakPolarHBondContact ND2-CG 3.32Å
181G90.1Very high94.6Very high1 Ų143 Ų431%0.0122%0.215CC..Hα-helixtrans71.133176.300000114.2D177 Q179 L183 L184 R185D177-G181 PolarHBondContact O-N 2.91Å; Q179-G181 PolarHBondContact O-N 2.85Å; G181-L183 PolarHBondContact O-N 3.29Å; G181-L183 VanDerWaalsContact O-N 3.14Å; G181-L184 PolarHBondContact O-N 3.36Å; G181-R185 PolarHBondContact O-N 2.91Å
182F94.2Very high94.6Very high59 Ų5940.6 Ų40.626%0.25920%0.202SC..Hα-helixtrans-49.8-40.7178.5170-93.5000112.3Q155 I159 Q179 N180 R185 Y186Q155-F182 HydrophobicContact CG-CD1 4.04Å; Q155-F182 HydrophobicContact CG-CE1 4.44Å; I159-F182 HydrophobicContact CD1-CE1 4.35Å; I159-F182 HydrophobicContact CD1-CZ 4.46Å; Q179-F182 HydrophobicContact CB-CB 4.09Å; Q179-F182 PolarHBondContact O-N 2.9Å; N180-F182 PolarHBondContact O-N 3.35Å; F182-R185 PolarHBondContact O-N 3.27Å; F182-Y186 HydrophobicContact CE1-CD2 4.21Å; F182-Y186 HydrophobicContact CE1-CG 4.3Å; F182-Y186 HydrophobicContact CE2-CD2 4.45Å; F182-Y186 AromaticContact CZ-CD2 3.73Å; F182-Y186 HydrophobicContact CZ-CD2 3.73Å; F182-Y186 HydrophobicContact CZ-CG 4.23Å; F182-Y186 VanDerWaalsContact O-CB 3.24Å; F182-Y186 WeakPolarHBondContact O-CB 3.46Å; F182-Y186 PolarHBondContact O-N 3.01Å
183L95.8Very high94.6Very high1 Ų139.9 Ų39.91%0.00520%0.199CC..Hα-helixtrans-65.2-47.4-174.9-68.1-178.7000113.8L154 Q155 I158 I176 G181 Y186 A187 F199L154-L183 HydrophobicContact CD2-CD1 3.44Å; L154-L183 VanDerWaalsContact CD2-CD1 3.44Å; L154-L183 HydrophobicContact CG-CD1 3.69Å; Q155-L183 HydrophobicContact CB-CD2 4.19Å; Q155-L183 HydrophobicContact CG-CD1 4.45Å; Q155-L183 HydrophobicContact CG-CD2 3.57Å; Q155-L183 HydrophobicContact CG-CG 4.05Å; I158-L183 HydrophobicContact CB-CD2 4.27Å; I158-L183 HydrophobicContact CD1-CB 4.42Å; I158-L183 HydrophobicContact CD1-CD1 3.62Å; I158-L183 HydrophobicContact CD1-CD2 3.33Å; I158-L183 HydrophobicContact CD1-CG 3.97Å; I158-L183 HydrophobicContact CG1-CD2 4.37Å; I158-L183 HydrophobicContact CG2-CD2 4.35Å; I176-L183 HydrophobicContact CG2-CB 4.13Å; I176-L183 HydrophobicContact CG2-CD1 4.19Å; G181-L183 PolarHBondContact O-N 3.29Å; G181-L183 VanDerWaalsContact O-N 3.14Å; L183-Y186 PolarHBondContact O-N 2.96Å; L183-A187 PolarHBondContact O-N 3.49Å; L183-F199 HydrophobicContact CB-CD2 4.27Å; L183-F199 HydrophobicContact CB-CE2 4.03Å; L183-F199 HydrophobicContact CB-CZ 4.46Å; L183-F199 WeakPolarHBondContact O-CE2 3.33Å
184L96.8Very high94.7Very high0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-63.2-44.6178.3-179.559.2000110.6G181 Y186 A187 V188 F199 L200 A204 T206 P217 L233G181-L184 PolarHBondContact O-N 3.36Å; L184-Y186 PolarHBondContact O-N 3.34Å; L184-A187 PolarHBondContact O-N 2.93Å; L184-V188 WeakPolarHBondContact O-CG2 3.09Å; L184-V188 PolarHBondContact O-N 3.3Å; L184-V188 VanDerWaalsContact O-N 3.08Å; L184-F199 HydrophobicContact CD1-CB 4.35Å; L184-L200 HydrophobicContact CD1-CD2 4.03Å; L184-L200 HydrophobicContact CD1-CG 4.06Å; L184-L200 HydrophobicContact CD2-CD2 3.87Å; L184-A204 HydrophobicContact CB-CB 4.16Å; L184-A204 HydrophobicContact CD2-CB 3.92Å; L184-A204 HydrophobicContact CG-CB 4.46Å; L184-T206 HydrophobicContact CD2-CG2 4.43Å; L184-P217 HydrophobicContact CD2-CB 4.23Å; L184-P217 HydrophobicContact CD2-CG 3.82Å; L184-P217 HydrophobicContact CG-CB 4.24Å; L184-P217 HydrophobicContact CG-CG 4.01Å; L184-L233 HydrophobicContact CD1-CD2 4.21Å; L184-L233 HydrophobicContact CD2-CD2 3.94Å; L184-L233 HydrophobicContact CG-CD2 4.28Å
185R96.1Very high94.7Very high16 Ų1640.2 Ų40.26%0.0621%0.205CC..Hα-helixtrans-63.3-41.9176-65.7-171.1-59.8-128.91.1112.6Q179 N180 G181 F182 A187 V188 I189 L208 G209 P217 L220Q179-R185 PolarHBondContact O-NH2 3.05Å; Q179-R185 VanDerWaalsContact O-NH2 3.15Å; N180-R185 PolarHBondContact O-NH1 3.36Å; N180-R185 PolarHBondContact O-NH2 3.09Å; G181-R185 PolarHBondContact O-N 2.91Å; F182-R185 PolarHBondContact O-N 3.27Å; R185-A187 VanDerWaalsContact C-N 3.32Å; R185-A187 PolarHBondContact O-N 3.43Å; R185-V188 PolarHBondContact O-N 3.45Å; R185-I189 WeakPolarHBondContact O-CB 3.36Å; R185-I189 VanDerWaalsContact O-CG1 3.3Å; R185-I189 WeakPolarHBondContact O-CG1 3.21Å; R185-I189 PolarHBondContact O-N 3.39Å; R185-L208 PolarHBondContact NH1-O 3.15Å; R185-L208 VanDerWaalsContact NH1-O 3.14Å; R185-G209 PolarHBondContact NH1-O 3.01Å; R185-P217 HydrophobicContact CG-CG 3.83Å; R185-L220 HydrophobicContact CB-CD1 3.81Å; R185-L220 HydrophobicContact CG-CD1 3.88Å
186Y95.8Very high94.7Very high51 Ų5138.1 Ų38.120%0.219%0.194CC..Hα-helixtrans-59.3-44.8176.7-178.9-90000110.9I158 I159 F182 L183 L184 V188 I189 K190I158-Y186 HydrophobicContact CG2-CD1 4.01Å; I158-Y186 HydrophobicContact CG2-CE1 4.15Å; I159-Y186 HydrophobicContact CG1-CE2 4.34Å; F182-Y186 HydrophobicContact CE1-CD2 4.21Å; F182-Y186 HydrophobicContact CE1-CG 4.3Å; F182-Y186 HydrophobicContact CE2-CD2 4.45Å; F182-Y186 AromaticContact CZ-CD2 3.73Å; F182-Y186 HydrophobicContact CZ-CD2 3.73Å; F182-Y186 HydrophobicContact CZ-CG 4.23Å; F182-Y186 VanDerWaalsContact O-CB 3.24Å; F182-Y186 WeakPolarHBondContact O-CB 3.46Å; F182-Y186 PolarHBondContact O-N 3.01Å; L183-Y186 PolarHBondContact O-N 2.96Å; L184-Y186 PolarHBondContact O-N 3.34Å; Y186-V188 VanDerWaalsContact C-N 3.34Å; Y186-V188 PolarHBondContact O-N 3.16Å; Y186-I189 PolarHBondContact O-N 3.12Å; Y186-K190 HydrophobicContact CD1-CG 4.15Å; Y186-K190 HydrophobicContact CE1-CG 3.75Å; Y186-K190 HydrophobicContact CE2-CG 4.31Å; Y186-K190 WeakPolarHBondContact O-CB 3.46Å; Y186-K190 WeakPolarHBondContact O-CG 3.35Å; Y186-K190 PolarHBondContact O-N 3.23Å
187A96.5Very high94.7Very high1 Ų140.4 Ų40.41%0.00820%0.202CC..Hα-helixtrans-61-41.5176.200000112.5L183 L184 R185 K190 S191 N192 C196 F199L183-A187 PolarHBondContact O-N 3.49Å; L184-A187 PolarHBondContact O-N 2.93Å; R185-A187 VanDerWaalsContact C-N 3.32Å; R185-A187 PolarHBondContact O-N 3.43Å; A187-K190 CarbonylContact O-C 3.55Å; A187-K190 PolarHBondContact O-N 3.01Å; A187-S191 PolarHBondContact O-N 2.91Å; A187-N192 PolarHBondContact O-N 3.42Å; A187-C196 VanDerWaalsContact C-SG 3.57Å; A187-C196 VanDerWaalsContact CB-SG 3.52Å; A187-F199 HydrophobicContact CB-CD2 4.12Å; A187-F199 HydrophobicContact CB-CE2 3.89Å
188V96.9Very high94.7Very high0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-65.1-45.8176174.40000111.5L184 R185 Y186 K190 S191 P217 L220 L233L184-V188 WeakPolarHBondContact O-CG2 3.09Å; L184-V188 PolarHBondContact O-N 3.3Å; L184-V188 VanDerWaalsContact O-N 3.08Å; R185-V188 PolarHBondContact O-N 3.45Å; Y186-V188 VanDerWaalsContact C-N 3.34Å; Y186-V188 PolarHBondContact O-N 3.16Å; V188-K190 PolarHBondContact O-N 3.43Å; V188-S191 PolarHBondContact O-N 3.15Å; V188-P217 HydrophobicContact CG2-CB 4.39Å; V188-L220 HydrophobicContact CG1-CB 3.89Å; V188-L233 HydrophobicContact CG2-CD1 4.14Å
189I95.5Very high94.7Very high65 Ų6538.6 Ų38.633%0.33319%0.192SC..Hα-helixtrans-60.9-36.4178.1-71.5162.5000111.3R185 Y186 S191 L220 R224R185-I189 WeakPolarHBondContact O-CB 3.36Å; R185-I189 VanDerWaalsContact O-CG1 3.3Å; R185-I189 WeakPolarHBondContact O-CG1 3.21Å; R185-I189 PolarHBondContact O-N 3.39Å; Y186-I189 PolarHBondContact O-N 3.12Å; I189-S191 VanDerWaalsContact C-N 3.28Å; I189-L220 HydrophobicContact CD1-CD1 4.05Å; I189-L220 HydrophobicContact CG1-CD1 4.09Å; I189-R224 PolarHBondContact O-NE 3.28Å; I189-R224 PolarHBondContact O-NH2 3.16Å
190K95.5Very high94.8Very high126 Ų12634.9 Ų34.955%0.54818%0.175SC..THydrogen-bonded Turntrans-82.9-1.7175.8-64.2-58.7-176-178.90113.6Y186 A187 V188 N192Y186-K190 HydrophobicContact CD1-CG 4.15Å; Y186-K190 HydrophobicContact CE1-CG 3.75Å; Y186-K190 HydrophobicContact CE2-CG 4.31Å; Y186-K190 WeakPolarHBondContact O-CB 3.46Å; Y186-K190 WeakPolarHBondContact O-CG 3.35Å; Y186-K190 PolarHBondContact O-N 3.23Å; A187-K190 CarbonylContact O-C 3.55Å; A187-K190 PolarHBondContact O-N 3.01Å; V188-K190 PolarHBondContact O-N 3.43Å; K190-N192 HydrophobicContact CB-CB 4.45Å; K190-N192 PolarHBondContact O-N 3.05Å
191S94.9Very high94.7Very high42 Ų4236 Ų3629%0.29418%0.178SC..THydrogen-bonded Turntrans5036-173.2-63.70000112.4A187 V188 I189 H193 R224 D226A187-S191 PolarHBondContact O-N 2.91Å; V188-S191 PolarHBondContact O-N 3.15Å; I189-S191 VanDerWaalsContact C-N 3.28Å; S191-H193 PolarHBondContact O-N 3.38Å; S191-R224 PolarHBondContact OG-NE 3.1Å; S191-D226 PolarHBondContact OG-OD2 3.05Å
192N94.9Very high94.8Very high49 Ų4939.9 Ų39.926%0.26219%0.192SC..  trans-90.387.5177.6-172.4-32.1000109A187 K190 S194 Y195 C196A187-N192 PolarHBondContact O-N 3.42Å; K190-N192 HydrophobicContact CB-CB 4.45Å; K190-N192 PolarHBondContact O-N 3.05Å; N192-S194 PolarHBondContact O-N 2.82Å; N192-S194 PolarHBondContact OD1-N 3.16Å; N192-Y195 HydrophobicContact CB-CD2 4.39Å; N192-Y195 WeakPolarHBondContact ND2-CD2 3.16Å; N192-Y195 PolarHBondContact O-N 3.22Å; N192-Y195 PolarHBondContact OD1-N 3.09Å; N192-C196 PolarHBondContact O-N 3.19Å; N192-C196 PolarHBondContact O-SG 3.26Å
193H94.8Very high94.6Very high59 Ų5937.2 Ų37.227%0.27318%0.182SC..Hα-helixtrans-60.3-34-177.9-56.8130.4000113S191 C196 R197 D226 C229 M232S191-H193 PolarHBondContact O-N 3.38Å; H193-C196 PolarHBondContact O-N 3.26Å; H193-R197 WeakPolarHBondContact O-CB 3.28Å; H193-R197 PolarHBondContact O-N 3.32Å; H193-D226 IonicContact CD2-OD1 2.69Å; H193-D226 IonicContact CD2-OD2 3.73Å; H193-D226 IonicContact CE1-OD1 3.83Å; H193-D226 IonicContact NE2-OD1 2.71Å; H193-D226 PolarHBondContact NE2-OD1 3.23Å; H193-D226 IonicContact NE2-OD2 2.92Å; H193-D226 PolarHBondContact NE2-OD2 3.29Å; H193-C229 PolarHBondContact CD2-SG 2.85Å; H193-M232 HydrophobicContact CB-CE 3.96Å
194S94Very high94.5Very high89 Ų8937.5 Ų37.562%0.62218%0.184SC*.Hα-helixtrans-63-44.5177.4-59.90000112.1N192 M198N192-S194 PolarHBondContact O-N 2.82Å; N192-S194 PolarHBondContact OD1-N 3.16Å; S194-M198 VanDerWaalsContact O-CB 3.3Å; S194-M198 WeakPolarHBondContact O-CB 3.04Å; S194-M198 PolarHBondContact O-N 3.47Å
195Y94.7Very high94.4Very high19 Ų1940 Ų408%0.07520%0.197CC..Hα-helixtrans-70.7-38.8174.3-77.9-18.4000112.4I158 S163 N192 R197 M198 F199I158-Y195 HydrophobicContact CG2-CD2 4.14Å; I158-Y195 HydrophobicContact CG2-CE2 3.97Å; S163-Y195 PolarHBondContact OG-OH 3.05Å; N192-Y195 HydrophobicContact CB-CD2 4.39Å; N192-Y195 WeakPolarHBondContact ND2-CD2 3.16Å; N192-Y195 PolarHBondContact O-N 3.22Å; N192-Y195 PolarHBondContact OD1-N 3.09Å; Y195-R197 PolarHBondContact O-N 3.23Å; Y195-M198 HydrophobicContact CD1-CE 3.5Å; Y195-M198 HydrophobicContact CE1-CE 3.75Å; Y195-M198 PolarHBondContact O-N 2.69Å; Y195-F199 HydrophobicContact CD1-CZ 4.3Å; Y195-F199 HydrophobicContact CD2-CZ 4.48Å; Y195-F199 HydrophobicContact CG-CE2 4.34Å; Y195-F199 AromaticContact CG-CZ 3.99Å; Y195-F199 HydrophobicContact CG-CZ 3.99Å; Y195-F199 WeakPolarHBondContact O-CB 3.33Å; Y195-F199 WeakPolarHBondContact O-CD2 3.42Å; Y195-F199 WeakPolarHBondContact O-CG 3.5Å; Y195-F199 PolarHBondContact O-N 3.4Å
196C95.8Very high94.4Very high1 Ų139.5 Ų39.51%0.00720%0.196CC..Hα-helixtrans-55.4-54.1172.7-650000110.7A187 N192 H193 M198 F199 L200 M232A187-C196 VanDerWaalsContact C-SG 3.57Å; A187-C196 VanDerWaalsContact CB-SG 3.52Å; N192-C196 PolarHBondContact O-N 3.19Å; N192-C196 PolarHBondContact O-SG 3.26Å; H193-C196 PolarHBondContact O-N 3.26Å; C196-M198 PolarHBondContact O-N 2.97Å; C196-F199 PolarHBondContact O-N 3.31Å; C196-L200 WeakPolarHBondContact O-CB 3.49Å; C196-L200 WeakPolarHBondContact O-CG 3.4Å; C196-L200 PolarHBondContact O-N 2.87Å; C196-M232 HydrophobicContact CB-CE 3.79Å; C196-M232 HydrophobicContact CB-SD 4.49Å
197R94.4Very high94.4Very high58 Ų5839.3 Ų39.322%0.21920%0.199CC..Hα-helixtrans-55.9-49.8177.3-174.7-172.2-54.4-67.7-14.8111.6H193 Y195 F199 L200 Q201 M232 D316 I318H193-R197 WeakPolarHBondContact O-CB 3.28Å; H193-R197 PolarHBondContact O-N 3.32Å; Y195-R197 PolarHBondContact O-N 3.23Å; R197-F199 PolarHBondContact O-N 2.92Å; R197-L200 PolarHBondContact O-N 3.4Å; R197-Q201 HydrophobicContact CG-CG 4.32Å; R197-Q201 WeakPolarHBondContact O-CB 3.38Å; R197-Q201 VanDerWaalsContact O-CG 3.27Å; R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 3.14Å; R197-M232 HydrophobicContact CB-SD 4.06Å; R197-D316 PolarHBondContact NH1-O 3.22Å; R197-I318 PolarHBondContact NH1-O 3.23Å; R197-I318 PolarHBondContact NH2-O 3.21Å; R197-I318 PolarHBondContact NH2-OXT 3.18Å
198M93.4Very high94.4Very high29 Ų2941.2 Ų41.214%0.14321%0.209CC..Hα-helixtrans-60.7-45.1-178.1-176.2170.969.600111.8V166 K167 L170 S194 Y195 C196 Q201 R202V166-M198 HydrophobicContact CB-CE 4.42Å; V166-M198 HydrophobicContact CG1-CE 3.33Å; V166-M198 HydrophobicContact CG1-SD 4.49Å; K167-M198 HydrophobicContact CG-SD 4.44Å; L170-M198 HydrophobicContact CD1-CE 4.09Å; L170-M198 HydrophobicContact CD1-CG 4.36Å; L170-M198 HydrophobicContact CD1-SD 4.31Å; S194-M198 VanDerWaalsContact O-CB 3.3Å; S194-M198 WeakPolarHBondContact O-CB 3.04Å; S194-M198 PolarHBondContact O-N 3.47Å; Y195-M198 HydrophobicContact CD1-CE 3.5Å; Y195-M198 HydrophobicContact CE1-CE 3.75Å; Y195-M198 PolarHBondContact O-N 2.69Å; C196-M198 PolarHBondContact O-N 2.97Å; M198-Q201 PolarHBondContact O-N 3.35Å; M198-R202 WeakPolarHBondContact O-CB 3.37Å; M198-R202 WeakPolarHBondContact O-CG 3.32Å; M198-R202 PolarHBondContact O-N 3.46Å
199F94.5Very high94.3Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-66.7-42.3179.3-60.3-25.6000111.7I158 V166 L170 I176 L183 L184 A187 Y195 C196 R197 R202 G203 A204I158-F199 HydrophobicContact CD1-CE1 3.67Å; I158-F199 HydrophobicContact CD1-CE2 4.24Å; I158-F199 HydrophobicContact CD1-CZ 3.29Å; I158-F199 HydrophobicContact CG1-CE1 4.45Å; I158-F199 HydrophobicContact CG1-CZ 3.93Å; I158-F199 HydrophobicContact CG2-CZ 4.38Å; V166-F199 HydrophobicContact CG1-CE1 4.39Å; L170-F199 HydrophobicContact CD1-CE1 4.49Å; I176-F199 HydrophobicContact CD1-CD1 4.5Å; I176-F199 HydrophobicContact CG2-CB 4.2Å; I176-F199 HydrophobicContact CG2-CD1 4.44Å; I176-F199 HydrophobicContact CG2-CG 4.28Å; L183-F199 HydrophobicContact CB-CD2 4.27Å; L183-F199 HydrophobicContact CB-CE2 4.03Å; L183-F199 HydrophobicContact CB-CZ 4.46Å; L183-F199 WeakPolarHBondContact O-CE2 3.33Å; L184-F199 HydrophobicContact CD1-CB 4.35Å; A187-F199 HydrophobicContact CB-CD2 4.12Å; A187-F199 HydrophobicContact CB-CE2 3.89Å; Y195-F199 HydrophobicContact CD1-CZ 4.3Å; Y195-F199 HydrophobicContact CD2-CZ 4.48Å; Y195-F199 HydrophobicContact CG-CE2 4.34Å; Y195-F199 AromaticContact CG-CZ 3.99Å; Y195-F199 HydrophobicContact CG-CZ 3.99Å; Y195-F199 WeakPolarHBondContact O-CB 3.33Å; Y195-F199 WeakPolarHBondContact O-CD2 3.42Å; Y195-F199 WeakPolarHBondContact O-CG 3.5Å; Y195-F199 PolarHBondContact O-N 3.4Å; C196-F199 PolarHBondContact O-N 3.31Å; R197-F199 PolarHBondContact O-N 2.92Å; F199-R202 CarbonylContact O-C 3.37Å; F199-R202 PolarHBondContact O-N 3.14Å; F199-R202 VanDerWaalsContact O-N 3.15Å; F199-G203 PolarHBondContact O-N 3.39Å; F199-A204 HydrophobicContact CB-CB 3.9Å; F199-A204 WeakPolarHBondContact O-CB 3.29Å; F199-A204 PolarHBondContact O-N 3.44Å
200L93.9Very high94.2Very high1 Ų142.6 Ų42.61%0.00522%0.217CC..Hα-helixtrans-62.7-43.5176.3-68.5174.2000112.4L184 C196 R197 R202 G203 T206 M232 L233 Y236 R287L184-L200 HydrophobicContact CD1-CD2 4.03Å; L184-L200 HydrophobicContact CD1-CG 4.06Å; L184-L200 HydrophobicContact CD2-CD2 3.87Å; C196-L200 WeakPolarHBondContact O-CB 3.49Å; C196-L200 WeakPolarHBondContact O-CG 3.4Å; C196-L200 PolarHBondContact O-N 2.87Å; R197-L200 PolarHBondContact O-N 3.4Å; L200-R202 PolarHBondContact O-N 3.25Å; L200-G203 PolarHBondContact O-N 2.87Å; L200-T206 HydrophobicContact CD2-CG2 3.4Å; L200-M232 HydrophobicContact CD1-CB 3.84Å; L200-L233 HydrophobicContact CD1-CD2 4.36Å; L200-L233 HydrophobicContact CD2-CD2 4.14Å; L200-Y236 HydrophobicContact CB-CD1 3.63Å; L200-Y236 HydrophobicContact CB-CD2 3.92Å; L200-Y236 HydrophobicContact CB-CE1 3.79Å; L200-Y236 HydrophobicContact CB-CE2 4.08Å; L200-Y236 HydrophobicContact CB-CG 3.68Å; L200-Y236 HydrophobicContact CD1-CD2 3.96Å; L200-Y236 HydrophobicContact CD1-CE2 4.46Å; L200-Y236 HydrophobicContact CD1-CG 4.2Å; L200-Y236 HydrophobicContact CD2-CG 4.19Å; L200-Y236 HydrophobicContact CG-CD2 4.43Å; L200-Y236 HydrophobicContact CG-CG 4.23Å; L200-Y236 WeakPolarHBondContact O-CD1 3.38Å; L200-Y236 VanDerWaalsContact O-CE1 3.28Å; L200-Y236 WeakPolarHBondContact O-CE1 3.42Å; L200-R287 PolarHBondContact O-NH2 3.23Å
201Q91.2Very high94.1Very high88 Ų8842.1 Ų42.141%0.41122%0.22SC..Hα-helixtrans-60.7-35.7173.8-76.9177.6-19.200112.2R197 M198 G203 Y236 L295R197-Q201 HydrophobicContact CG-CG 4.32Å; R197-Q201 WeakPolarHBondContact O-CB 3.38Å; R197-Q201 VanDerWaalsContact O-CG 3.27Å; R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 3.14Å; M198-Q201 PolarHBondContact O-N 3.35Å; Q201-G203 PolarHBondContact O-N 3.49Å; Q201-Y236 WeakPolarHBondContact CG-OH 3.21Å; Q201-L295 WeakPolarHBondContact O-CD1 3.4Å
202R90.5Very high94Very high83 Ų8346.2 Ų46.231%0.31323%0.234SC..THydrogen-bonded Turntrans-84.55.2176.3-63.2-75.8-175.8126.31.8113.7L170 D171 I176 M198 F199 L200L170-R202 HydrophobicContact CD1-CG 4.32Å; L170-R202 PolarHBondContact O-NH1 3Å; D171-R202 IonicContact OD1-CZ 3.54Å; D171-R202 IonicContact OD1-NH1 3.74Å; D171-R202 PolarHBondContact OD1-NH1 3Å; D171-R202 IonicContact OD1-NH2 3Å; D171-R202 PolarHBondContact OD1-NH2 3.41Å; I176-R202 HydrophobicContact CD1-CB 3.36Å; I176-R202 HydrophobicContact CD1-CG 4.4Å; M198-R202 WeakPolarHBondContact O-CB 3.37Å; M198-R202 WeakPolarHBondContact O-CG 3.32Å; M198-R202 PolarHBondContact O-N 3.46Å; F199-R202 CarbonylContact O-C 3.37Å; F199-R202 PolarHBondContact O-N 3.14Å; F199-R202 VanDerWaalsContact O-N 3.15Å; L200-R202 PolarHBondContact O-N 3.25Å
203G91.1Very high94Very high4 Ų445.9 Ų45.94%0.04123%0.232CC..THydrogen-bonded Turntrans82.637.9173.500000114.7F199 L200 Q201 D205 L292F199-G203 PolarHBondContact O-N 3.39Å; L200-G203 PolarHBondContact O-N 2.87Å; Q201-G203 PolarHBondContact O-N 3.49Å; G203-D205 PolarHBondContact O-N 3.24Å; G203-L292 WeakPolarHBondContact O-CB 3.44Å; G203-L292 VanDerWaalsContact O-CD1 3.28Å; G203-L292 WeakPolarHBondContact O-CD1 3.5Å
204A94.1Very high94.1Very high6 Ų643.4 Ų43.45%0.0522%0.223CC..  trans-62.1136.5164.900000110.6I176 L184 F199 T206I176-A204 HydrophobicContact CG2-CB 3.79Å; L184-A204 HydrophobicContact CB-CB 4.16Å; L184-A204 HydrophobicContact CD2-CB 3.92Å; L184-A204 HydrophobicContact CG-CB 4.46Å; F199-A204 HydrophobicContact CB-CB 3.9Å; F199-A204 WeakPolarHBondContact O-CB 3.29Å; F199-A204 PolarHBondContact O-N 3.44Å; A204-T206 PolarHBondContact O-N 2.96Å
205D94.6Very high94.2Very high52 Ų5240.1 Ų40.128%0.27820%0.198SC..  trans-72.9118.4173.3-173.6-16.6000110.1D177 G203 N207 L208 L292D177-D205 PolarHBondContact OD1-N 3.41Å; D177-D205 PolarHBondContact OD2-N 2.98Å; G203-D205 PolarHBondContact O-N 3.24Å; D205-N207 PolarHBondContact O-N 3.29Å; D205-N207 PolarHBondContact OD1-N 3.47Å; D205-L208 HydrophobicContact CB-CD1 3.83Å; D205-L208 HydrophobicContact CB-CG 3.81Å; D205-L292 HydrophobicContact CB-CD1 4.09Å
206T95.6Very high94.4Very high7 Ų739.2 Ų39.24%0.04319%0.194CC..THydrogen-bonded Turntrans-71.2-13.4-178.249.10000114.4L184 L200 A204 P217 L233 G237 A238L184-T206 HydrophobicContact CD2-CG2 4.43Å; L200-T206 HydrophobicContact CD2-CG2 3.4Å; A204-T206 PolarHBondContact O-N 2.96Å; T206-P217 WeakPolarHBondContact O-CD 3.45Å; T206-L233 HydrophobicContact CG2-CD2 4.15Å; T206-G237 VanDerWaalsContact OG1-C 3.26Å; T206-G237 PolarHBondContact OG1-O 3.37Å; T206-A238 HydrophobicContact CG2-CB 4.49Å; T206-A238 WeakPolarHBondContact OG1-CA 3.43Å; T206-A238 PolarHBondContact OG1-N 3.17Å
207N95.9Very high94.5Very high46 Ų4639.2 Ų39.225%0.24619%0.194CC..THydrogen-bonded Turntrans-109.32.7-168.8-63.4-57.5000113.9D205 G209 G237 D239D205-N207 PolarHBondContact O-N 3.29Å; D205-N207 PolarHBondContact OD1-N 3.47Å; N207-G209 PolarHBondContact O-N 3.35Å; N207-G209 VanDerWaalsContact O-N 3.14Å; N207-G237 PolarHBondContact ND2-O 3.22Å; N207-D239 PolarHBondContact OD1-N 3.08Å
208L95.8Very high94.7Very high42 Ų4236.5 Ų36.522%0.2218%0.184CC..  trans-71.4109178.4-63176.2000111.9D177 N180 R185 D205 P217D177-L208 HydrophobicContact CB-CD1 3.71Å; N180-L208 WeakPolarHBondContact O-CB 3.4Å; R185-L208 PolarHBondContact NH1-O 3.15Å; R185-L208 VanDerWaalsContact NH1-O 3.14Å; D205-L208 HydrophobicContact CB-CD1 3.83Å; D205-L208 HydrophobicContact CB-CG 3.81Å; L208-P217 WeakPolarHBondContact O-CD 3.39Å
209G94.3Very high94.9Very high24 Ų2435.1 Ų35.125%0.24718%0.177CC..  trans-75.3149.4177.600000113.5R185 N207R185-G209 PolarHBondContact NH1-O 3.01Å; N207-G209 PolarHBondContact O-N 3.35Å; N207-G209 VanDerWaalsContact O-N 3.14Å
210R94.3Very high95Very high70 Ų7035.8 Ų35.826%0.26418%0.181SC..  trans-60.7143.2171.5-96.6166.446.997.1-4.2110.2E212 D213 G214 Q215R210-E212 WeakPolarHBondContact CB-OE2 3.29Å; R210-E212 IonicContact CZ-OE2 3.31Å; R210-E212 IonicContact NE-OE2 3.51Å; R210-E212 IonicContact NH1-OE2 3.83Å; R210-E212 IonicContact NH2-OE2 3.8Å; R210-E212 PolarHBondContact O-N 3.48Å; R210-D213 WeakPolarHBondContact CB-OD1 3.21Å; R210-D213 IonicContact CZ-OD1 3.61Å; R210-D213 IonicContact CZ-OD2 3.57Å; R210-D213 VanDerWaalsContact CZ-OD2 3.27Å; R210-D213 VanDerWaalsContact NE-CG 3.34Å; R210-D213 IonicContact NE-OD1 3.86Å; R210-D213 PolarHBondContact NE-OD1 2.84Å; R210-D213 IonicContact NE-OD2 2.75Å; R210-D213 PolarHBondContact NE-OD2 2.96Å; R210-D213 IonicContact NH2-OD1 3.03Å; R210-D213 IonicContact NH2-OD2 3.98Å; R210-D213 PolarHBondContact NH2-OD2 3.32Å; R210-G214 VanDerWaalsContact O-CA 3.22Å; R210-G214 WeakPolarHBondContact O-CA 3.3Å; R210-G214 PolarHBondContact O-N 2.88Å; R210-Q215 PolarHBondContact N-O 2.77Å
211L92.4Very high95.2Very high115 Ų11535.8 Ų35.860%0.60218%0.181SC*.THydrogen-bonded Turntrans-69.3-25.8179.3-74.2178.4000112N180 Y245N180-L211 WeakPolarHBondContact ND2-CD1 3.13Å; N180-L211 WeakPolarHBondContact ND2-CD2 3.45Å; N180-L211 WeakPolarHBondContact ND2-CG 3.32Å; L211-Y245 WeakPolarHBondContact O-CE2 3.38Å
212E94.1Very high95.4Very high129 Ų12931.6 Ų31.660%0.60316%0.161SC*.THydrogen-bonded Turntrans-79.9-37.4-173.4-55.581.2-17800112.6R210R210-E212 WeakPolarHBondContact CB-OE2 3.29Å; R210-E212 IonicContact CZ-OE2 3.31Å; R210-E212 IonicContact NE-OE2 3.51Å; R210-E212 IonicContact NH1-OE2 3.83Å; R210-E212 IonicContact NH2-OE2 3.8Å; R210-E212 PolarHBondContact O-N 3.48Å
213D94.9Very high95.6Very high41 Ų4132 Ų3222%0.21917%0.169CC..THydrogen-bonded Turntrans-141.3-1.7-169.855.219.3000114.2R210 Q215 N244 Y245R210-D213 WeakPolarHBondContact CB-OD1 3.21Å; R210-D213 IonicContact CZ-OD1 3.61Å; R210-D213 IonicContact CZ-OD2 3.57Å; R210-D213 VanDerWaalsContact CZ-OD2 3.27Å; R210-D213 VanDerWaalsContact NE-CG 3.34Å; R210-D213 IonicContact NE-OD1 3.86Å; R210-D213 PolarHBondContact NE-OD1 2.84Å; R210-D213 IonicContact NE-OD2 2.75Å; R210-D213 PolarHBondContact NE-OD2 2.96Å; R210-D213 IonicContact NH2-OD1 3.03Å; R210-D213 IonicContact NH2-OD2 3.98Å; R210-D213 PolarHBondContact NH2-OD2 3.32Å; D213-Q215 HydrophobicContact CB-CG 4.08Å; D213-Q215 PolarHBondContact O-N 3.21Å; D213-Q215 VanDerWaalsContact OD1-CB 3.29Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.27Å; D213-Q215 WeakPolarHBondContact OD1-CG 3.35Å; D213-Q215 PolarHBondContact OD1-N 3.3Å; D213-Q215 WeakPolarHBondContact OD2-CG 3.4Å; D213-N244 WeakPolarHBondContact O-CB 3.25Å; D213-Y245 VanDerWaalsContact CA-CD2 3.47Å; D213-Y245 PolarHBondContact O-N 3.32Å
214G96.5Very high95.7Very high7 Ų738 Ų387%0.07219%0.191CC..  trans72.95.2-177.400000114.4R210 T216R210-G214 VanDerWaalsContact O-CA 3.22Å; R210-G214 WeakPolarHBondContact O-CA 3.3Å; R210-G214 PolarHBondContact O-N 2.88Å; G214-T216 PolarHBondContact O-N 3.24Å
215Q97.2Very high95.8Very high20 Ų2040 Ų409%0.09320%0.201CC..  trans-65.9118.3-178.5-61.4-80.235.900110.2R210 D213 H219 L220 N244R210-Q215 PolarHBondContact N-O 2.77Å; D213-Q215 HydrophobicContact CB-CG 4.08Å; D213-Q215 PolarHBondContact O-N 3.21Å; D213-Q215 VanDerWaalsContact OD1-CB 3.29Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.27Å; D213-Q215 WeakPolarHBondContact OD1-CG 3.35Å; D213-Q215 PolarHBondContact OD1-N 3.3Å; D213-Q215 WeakPolarHBondContact OD2-CG 3.4Å; Q215-H219 HydrophobicContact CB-CB 4.13Å; Q215-H219 PolarHBondContact OE1-CD2 3.5Å; Q215-L220 HydrophobicContact CB-CD2 4.14Å; Q215-L220 HydrophobicContact CB-CG 4.38Å; Q215-N244 VanDerWaalsContact CD-ND2 3.31Å; Q215-N244 PolarHBondContact NE2-ND2 3.26Å; Q215-N244 PolarHBondContact OE1-ND2 2.98Å
216T98Very high95.8Very high1 Ų138.3 Ų38.31%0.00619%0.191CC..  trans-77.7165.8172.871.80000110.8G214 L218 H219 L220 T242G214-T216 PolarHBondContact O-N 3.24Å; T216-L218 PolarHBondContact O-N 3.39Å; T216-L218 VanDerWaalsContact O-N 3.11Å; T216-L218 PolarHBondContact OG1-N 3.29Å; T216-H219 PolarHBondContact N-ND1 3.31Å; T216-H219 WeakPolarHBondContact O-CB 3.39Å; T216-H219 PolarHBondContact O-N 3.04Å; T216-H219 PolarHBondContact OG1-ND1 3.33Å; T216-L220 PolarHBondContact O-N 3.37Å; T216-L220 VanDerWaalsContact O-N 3.13Å; T216-T242 HydrophobicContact CG2-CG2 3.66Å
217P98.1Very high95.8Very high1 Ų139.4 Ų39.41%0.00620%0.198CC..Hα-helixtrans-46.7-38.7170.4-3033.3000114.1L184 R185 V188 T206 L208 L220 S221 L233L184-P217 HydrophobicContact CD2-CB 4.23Å; L184-P217 HydrophobicContact CD2-CG 3.82Å; L184-P217 HydrophobicContact CG-CB 4.24Å; L184-P217 HydrophobicContact CG-CG 4.01Å; R185-P217 HydrophobicContact CG-CG 3.83Å; V188-P217 HydrophobicContact CG2-CB 4.39Å; T206-P217 WeakPolarHBondContact O-CD 3.45Å; L208-P217 WeakPolarHBondContact O-CD 3.39Å; P217-L220 PolarHBondContact O-N 3.29Å; P217-S221 PolarHBondContact O-N 3.01Å; P217-L233 VanDerWaalsContact C-CD1 3.48Å; P217-L233 HydrophobicContact CB-CD1 3.78Å; P217-L233 HydrophobicContact CB-CD2 3.63Å; P217-L233 HydrophobicContact CB-CG 4.37Å; P217-L233 WeakPolarHBondContact O-CD1 3.29Å
218L98.2Very high95.8Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-71.8-33.9-178.6-171.562.3000112.7T216 L220 S221 A222 A230 L233 A238 T240 P250 L268T216-L218 PolarHBondContact O-N 3.39Å; T216-L218 VanDerWaalsContact O-N 3.11Å; T216-L218 PolarHBondContact OG1-N 3.29Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-S221 WeakPolarHBondContact CA-OG 3.32Å; L218-S221 PolarHBondContact O-OG 2.92Å; L218-A222 WeakPolarHBondContact O-CB 3.25Å; L218-A222 PolarHBondContact O-N 3.44Å; L218-A230 HydrophobicContact CD1-CB 4Å; L218-L233 HydrophobicContact CB-CD1 4.42Å; L218-L233 HydrophobicContact CD1-CB 4.21Å; L218-L233 HydrophobicContact CD1-CD1 4.41Å; L218-A238 HydrophobicContact CB-CB 4.12Å; L218-A238 HydrophobicContact CD2-CB 3.92Å; L218-A238 HydrophobicContact CG-CB 4.47Å; L218-T240 HydrophobicContact CD2-CG2 3.91Å; L218-P250 HydrophobicContact CB-CB 4.45Å; L218-P250 HydrophobicContact CB-CG 4.16Å; L218-P250 HydrophobicContact CD2-CB 4.13Å; L218-P250 HydrophobicContact CD2-CG 3.93Å; L218-P250 HydrophobicContact CG-CB 3.84Å; L218-P250 HydrophobicContact CG-CG 3.92Å; L218-L268 HydrophobicContact CD1-CD2 4.23Å; L218-L268 HydrophobicContact CD2-CD2 4.3Å; L218-L268 HydrophobicContact CG-CD2 4.37Å
219H98.1Very high95.8Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-63.8-41170.4-67.487.4000111.3Q215 T216 A222 L223 T242 Q248 P250Q215-H219 HydrophobicContact CB-CB 4.13Å; Q215-H219 PolarHBondContact OE1-CD2 3.5Å; T216-H219 PolarHBondContact N-ND1 3.31Å; T216-H219 WeakPolarHBondContact O-CB 3.39Å; T216-H219 PolarHBondContact O-N 3.04Å; T216-H219 PolarHBondContact OG1-ND1 3.33Å; H219-A222 WeakPolarHBondContact O-CB 3.39Å; H219-A222 PolarHBondContact O-N 3.25Å; H219-L223 WeakPolarHBondContact O-CB 3.36Å; H219-L223 PolarHBondContact O-N 2.94Å; H219-T242 PolarHBondContact CE1-O 3.36Å; H219-T242 PolarHBondContact NE2-O 2.99Å; H219-Q248 PolarHBondContact NE2-O 3.14Å; H219-P250 WeakPolarHBondContact NE2-CD 3.43Å
220L97.2Very high95.9Very high15 Ų1537.9 Ų37.98%0.07918%0.184CC..Hα-helixtrans-67.5-38.7179.9-63.4173.4000112R185 V188 I189 Q215 T216 P217 L218 A222 R224R185-L220 HydrophobicContact CB-CD1 3.81Å; R185-L220 HydrophobicContact CG-CD1 3.88Å; V188-L220 HydrophobicContact CG1-CB 3.89Å; I189-L220 HydrophobicContact CD1-CD1 4.05Å; I189-L220 HydrophobicContact CG1-CD1 4.09Å; Q215-L220 HydrophobicContact CB-CD2 4.14Å; Q215-L220 HydrophobicContact CB-CG 4.38Å; T216-L220 PolarHBondContact O-N 3.37Å; T216-L220 VanDerWaalsContact O-N 3.13Å; P217-L220 PolarHBondContact O-N 3.29Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L220-A222 VanDerWaalsContact C-N 3.34Å; L220-R224 VanDerWaalsContact O-CG 3.32Å; L220-R224 WeakPolarHBondContact O-CG 3.28Å; L220-R224 PolarHBondContact O-N 2.97Å
221S97Very high96Very high0 Ų039.1 Ų39.10%019%0.188CC..Hα-helixtrans-65.8-38.7172.5590000111.6P217 L218 R224 D225 D226P217-S221 PolarHBondContact O-N 3.01Å; L218-S221 WeakPolarHBondContact CA-OG 3.32Å; L218-S221 PolarHBondContact O-OG 2.92Å; S221-R224 PolarHBondContact O-N 3.46Å; S221-D225 PolarHBondContact O-N 2.84Å; S221-D225 VanDerWaalsContact O-N 3.09Å; S221-D226 PolarHBondContact O-N 3.21Å
222A96.4Very high96.2Very high0 Ų033.8 Ų33.80%016%0.161CC..Hα-helixtrans-61.5-48.3175.700000111.9L218 H219 L220 R224 D225 P250 V253 I257 L268L218-A222 WeakPolarHBondContact O-CB 3.25Å; L218-A222 PolarHBondContact O-N 3.44Å; H219-A222 WeakPolarHBondContact O-CB 3.39Å; H219-A222 PolarHBondContact O-N 3.25Å; L220-A222 VanDerWaalsContact C-N 3.34Å; A222-R224 PolarHBondContact O-N 3.15Å; A222-D225 PolarHBondContact O-N 2.77Å; A222-D225 VanDerWaalsContact O-N 3.08Å; A222-P250 HydrophobicContact CB-CB 4.44Å; A222-P250 VanDerWaalsContact CB-O 3.3Å; A222-P250 WeakPolarHBondContact CB-O 3.11Å; A222-V253 HydrophobicContact CB-CG1 4.41Å; A222-I257 WeakPolarHBondContact O-CD1 3.42Å; A222-L268 HydrophobicContact CB-CD1 3.73Å
223L94.6Very high96.3Very high91 Ų9127.7 Ų27.748%0.47613%0.132SC..Hα-helixtrans-57.7-30.9177.7-175.262.6000113H219 V253 I257H219-L223 WeakPolarHBondContact O-CB 3.36Å; H219-L223 PolarHBondContact O-N 2.94Å; L223-V253 HydrophobicContact CB-CG1 3.89Å; L223-V253 HydrophobicContact CD1-CG1 4.15Å; L223-I257 WeakPolarHBondContact O-CD1 3.43Å
224R93.2Very high96.3Very high132 Ų13227 Ų2750%0.49813%0.126SC..THydrogen-bonded Turntrans-96.4-0.3-178.4-64.1-177.26772.44113.7I189 S191 L220 S221 A222 D226I189-R224 PolarHBondContact O-NE 3.28Å; I189-R224 PolarHBondContact O-NH2 3.16Å; S191-R224 PolarHBondContact OG-NE 3.1Å; L220-R224 VanDerWaalsContact O-CG 3.32Å; L220-R224 WeakPolarHBondContact O-CG 3.28Å; L220-R224 PolarHBondContact O-N 2.97Å; S221-R224 PolarHBondContact O-N 3.46Å; A222-R224 PolarHBondContact O-N 3.15Å; R224-D226 HydrophobicContact CB-CB 4.42Å; R224-D226 PolarHBondContact O-N 3.31Å
225D95.1Very high96.2Very high48 Ų4828 Ų2826%0.25713%0.131SC..THydrogen-bonded Turntrans51.731.9-171.3-161.235.3000113.4S221 A222 V227 P263 C264S221-D225 PolarHBondContact O-N 2.84Å; S221-D225 VanDerWaalsContact O-N 3.09Å; A222-D225 PolarHBondContact O-N 2.77Å; A222-D225 VanDerWaalsContact O-N 3.08Å; D225-V227 PolarHBondContact O-N 3.26Å; D225-V227 VanDerWaalsContact O-N 3.13Å; D225-P263 WeakPolarHBondContact OD1-CD 3.25Å; D225-P263 WeakPolarHBondContact OD2-CD 3.42Å; D225-C264 WeakPolarHBondContact OD1-CB 3.44Å; D225-C264 PolarHBondContact OD1-N 2.88Å
226D94.9Very high96Very high16 Ų1628.2 Ų28.29%0.08613%0.131CC..  trans-8781.7179.8-169.9-20.8000110.1S191 H193 S221 R224 L228 C229 A230S191-D226 PolarHBondContact OG-OD2 3.05Å; H193-D226 IonicContact CD2-OD1 2.69Å; H193-D226 IonicContact CD2-OD2 3.73Å; H193-D226 IonicContact CE1-OD1 3.83Å; H193-D226 IonicContact NE2-OD1 2.71Å; H193-D226 PolarHBondContact NE2-OD1 3.23Å; H193-D226 IonicContact NE2-OD2 2.92Å; H193-D226 PolarHBondContact NE2-OD2 3.29Å; S221-D226 PolarHBondContact O-N 3.21Å; R224-D226 HydrophobicContact CB-CB 4.42Å; R224-D226 PolarHBondContact O-N 3.31Å; D226-L228 PolarHBondContact O-N 2.7Å; D226-L228 PolarHBondContact OD1-N 3.34Å; D226-C229 HydrophobicContact CB-CB 4.1Å; D226-C229 PolarHBondContact O-N 2.75Å; D226-C229 PolarHBondContact OD1-N 3.09Å; D226-C229 PolarHBondContact OD2-SG 3.34Å; D226-A230 PolarHBondContact O-N 3.35Å
227V95.4Very high95.8Very high29 Ų2928.6 Ų28.618%0.17614%0.135CC..Hα-helixtrans-62.6-29.9-177.169.50000113.1D225 A230 R231 P263 C264 F267D225-V227 PolarHBondContact O-N 3.26Å; D225-V227 VanDerWaalsContact O-N 3.13Å; V227-A230 PolarHBondContact O-N 3.31Å; V227-R231 HydrophobicContact CG2-CG 4.4Å; V227-R231 WeakPolarHBondContact O-CB 3.38Å; V227-R231 VanDerWaalsContact O-CG 3.31Å; V227-R231 WeakPolarHBondContact O-CG 3.49Å; V227-R231 PolarHBondContact O-N 2.69Å; V227-P263 HydrophobicContact CB-CB 3.97Å; V227-P263 HydrophobicContact CG1-CB 3.93Å; V227-P263 HydrophobicContact CG2-CB 4.22Å; V227-P263 WeakPolarHBondContact CG2-O 3.4Å; V227-C264 HydrophobicContact CB-CB 4.38Å; V227-F267 HydrophobicContact CG2-CB 3.89Å; V227-F267 HydrophobicContact CG2-CG 4.28Å
228L95.6Very high95.8Very high80 Ų8028.6 Ų28.642%0.41913%0.134SC..Hα-helixtrans-68.1-47.9177.7-65.9178.7000110.3D226 A230 R231 M232D226-L228 PolarHBondContact O-N 2.7Å; D226-L228 PolarHBondContact OD1-N 3.34Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.77Å; L228-R231 PolarHBondContact O-N 2.81Å; L228-M232 WeakPolarHBondContact O-CG 3.26Å; L228-M232 PolarHBondContact O-N 3.29Å
229C96.2Very high95.6Very high0 Ų031.9 Ų31.90%015%0.152CC..Hα-helixtrans-57.3-46.1170.5-82.60000111.7H193 D226 R231 M232 L233H193-C229 PolarHBondContact CD2-SG 2.85Å; D226-C229 HydrophobicContact CB-CB 4.1Å; D226-C229 PolarHBondContact O-N 2.75Å; D226-C229 PolarHBondContact OD1-N 3.09Å; D226-C229 PolarHBondContact OD2-SG 3.34Å; C229-R231 VanDerWaalsContact C-N 3.34Å; C229-R231 PolarHBondContact O-N 2.63Å; C229-M232 PolarHBondContact O-N 2.68Å; C229-L233 WeakPolarHBondContact O-CB 3.33Å; C229-L233 VanDerWaalsContact O-CG 3.22Å; C229-L233 WeakPolarHBondContact O-CG 3.48Å; C229-L233 PolarHBondContact O-N 3.22Å
230A96.7Very high95.5Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-60.9-42.6-178.600000112.1L218 D226 V227 L228 L233 Y234 C264 F267L218-A230 HydrophobicContact CD1-CB 4Å; D226-A230 PolarHBondContact O-N 3.35Å; V227-A230 PolarHBondContact O-N 3.31Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.77Å; A230-L233 PolarHBondContact O-N 3.14Å; A230-Y234 VanDerWaalsContact O-CB 3.31Å; A230-Y234 WeakPolarHBondContact O-CB 3.3Å; A230-Y234 PolarHBondContact O-N 3.12Å; A230-C264 VanDerWaalsContact CB-SG 3.58Å; A230-F267 HydrophobicContact CB-CD1 3.9Å; A230-F267 HydrophobicContact CB-CE1 3.89Å
231R95.9Very high95.4Very high97 Ų9736.6 Ų36.637%0.36618%0.178SC..Hα-helixtrans-63.2-46.6175-75.8178.5-174.2-78-3.3111.8V227 L228 C229 Y234 N235 F267 I318V227-R231 HydrophobicContact CG2-CG 4.4Å; V227-R231 WeakPolarHBondContact O-CB 3.38Å; V227-R231 VanDerWaalsContact O-CG 3.31Å; V227-R231 WeakPolarHBondContact O-CG 3.49Å; V227-R231 PolarHBondContact O-N 2.69Å; L228-R231 PolarHBondContact O-N 2.81Å; C229-R231 VanDerWaalsContact C-N 3.34Å; C229-R231 PolarHBondContact O-N 2.63Å; R231-Y234 PolarHBondContact O-N 2.93Å; R231-N235 WeakPolarHBondContact O-CB 3.35Å; R231-N235 PolarHBondContact O-N 2.98Å; R231-N235 PolarHBondContact O-ND2 3.01Å; R231-F267 HydrophobicContact CB-CZ 4.38Å; R231-F267 HydrophobicContact CG-CD1 4.36Å; R231-F267 HydrophobicContact CG-CD2 3.92Å; R231-F267 HydrophobicContact CG-CE1 4.15Å; R231-F267 HydrophobicContact CG-CE2 3.67Å; R231-F267 HydrophobicContact CG-CG 4.25Å; R231-F267 HydrophobicContact CG-CZ 3.8Å; R231-I318 HydrophobicContact CB-CG2 4.21Å
232M96.1Very high95.4Very high3 Ų338.4 Ų38.42%0.01519%0.189CC..Hα-helixtrans-58.1-52.4174.9-73.4-172.2-6900111.1H193 C196 R197 L200 L228 C229 Y234 N235 Y236 I318H193-M232 HydrophobicContact CB-CE 3.96Å; C196-M232 HydrophobicContact CB-CE 3.79Å; C196-M232 HydrophobicContact CB-SD 4.49Å; R197-M232 HydrophobicContact CB-SD 4.06Å; L200-M232 HydrophobicContact CD1-CB 3.84Å; L228-M232 WeakPolarHBondContact O-CG 3.26Å; L228-M232 PolarHBondContact O-N 3.29Å; C229-M232 PolarHBondContact O-N 2.68Å; M232-Y234 VanDerWaalsContact C-N 3.32Å; M232-Y234 PolarHBondContact O-N 2.92Å; M232-N235 PolarHBondContact O-N 3.06Å; M232-N235 VanDerWaalsContact O-N 3.15Å; M232-Y236 VanDerWaalsContact O-CD2 3.25Å; M232-Y236 WeakPolarHBondContact O-CD2 3.19Å; M232-Y236 PolarHBondContact O-N 3.24Å; M232-Y236 VanDerWaalsContact O-N 3.12Å; M232-I318 WeakPolarHBondContact CG-O 3.4Å
233L97Very high95.4Very high1 Ų147 Ų471%0.00522%0.221CC..Hα-helixtrans-57.5-45.3179.5-71.5169.8000111.8L184 V188 L200 T206 P217 L218 C229 A230 Y236 G237 A238L184-L233 HydrophobicContact CD1-CD2 4.21Å; L184-L233 HydrophobicContact CD2-CD2 3.94Å; L184-L233 HydrophobicContact CG-CD2 4.28Å; V188-L233 HydrophobicContact CG2-CD1 4.14Å; L200-L233 HydrophobicContact CD1-CD2 4.36Å; L200-L233 HydrophobicContact CD2-CD2 4.14Å; T206-L233 HydrophobicContact CG2-CD2 4.15Å; P217-L233 VanDerWaalsContact C-CD1 3.48Å; P217-L233 HydrophobicContact CB-CD1 3.78Å; P217-L233 HydrophobicContact CB-CD2 3.63Å; P217-L233 HydrophobicContact CB-CG 4.37Å; P217-L233 WeakPolarHBondContact O-CD1 3.29Å; L218-L233 HydrophobicContact CB-CD1 4.42Å; L218-L233 HydrophobicContact CD1-CB 4.21Å; L218-L233 HydrophobicContact CD1-CD1 4.41Å; C229-L233 WeakPolarHBondContact O-CB 3.33Å; C229-L233 VanDerWaalsContact O-CG 3.22Å; C229-L233 WeakPolarHBondContact O-CG 3.48Å; C229-L233 PolarHBondContact O-N 3.22Å; A230-L233 PolarHBondContact O-N 3.14Å; L233-Y236 PolarHBondContact O-N 3.03Å; L233-G237 PolarHBondContact O-N 3.12Å; L233-A238 HydrophobicContact CB-CB 3.93Å; L233-A238 WeakPolarHBondContact O-CB 3.47Å; L233-A238 PolarHBondContact O-N 3.34Å
234Y95.7Very high95.6Very high25 Ų2543 Ų4310%0.09820%0.2CC..Hα-helixtrans-58.8-51.7174.4-179.3-97.6000110.9A230 R231 M232 Y236 G237 T240 F267 V271 R276A230-Y234 VanDerWaalsContact O-CB 3.31Å; A230-Y234 WeakPolarHBondContact O-CB 3.3Å; A230-Y234 PolarHBondContact O-N 3.12Å; R231-Y234 PolarHBondContact O-N 2.93Å; M232-Y234 VanDerWaalsContact C-N 3.32Å; M232-Y234 PolarHBondContact O-N 2.92Å; Y234-Y236 PolarHBondContact O-N 3.15Å; Y234-G237 PolarHBondContact O-N 3.35Å; Y234-T240 HydrophobicContact CD2-CG2 3.8Å; Y234-T240 HydrophobicContact CE2-CG2 4Å; Y234-F267 HydrophobicContact CD1-CZ 4.17Å; Y234-F267 AromaticContact CG-CZ 3.92Å; Y234-F267 HydrophobicContact CG-CZ 3.92Å; Y234-V271 HydrophobicContact CD1-CG1 4.39Å; Y234-V271 HydrophobicContact CD2-CB 4.15Å; Y234-V271 HydrophobicContact CD2-CG1 4.41Å; Y234-V271 HydrophobicContact CD2-CG2 4.06Å; Y234-V271 HydrophobicContact CE1-CB 4.46Å; Y234-V271 HydrophobicContact CE1-CG1 4.05Å; Y234-V271 HydrophobicContact CE2-CB 3.6Å; Y234-V271 HydrophobicContact CE2-CG1 4.05Å; Y234-V271 HydrophobicContact CE2-CG2 3.93Å; Y234-R276 HydrophobicContact CE1-CG 4.5Å; Y234-R276 HydrophobicContact CE2-CG 4.22Å; Y234-R276 PolarHBondContact O-NH1 2.97Å; Y234-R276 PolarHBondContact O-NH2 3.48Å; Y234-R276 VanDerWaalsContact OH-CG 3.24Å; Y234-R276 WeakPolarHBondContact OH-CG 3.42Å
235N93.2Very high95.8Very high30 Ų3044.1 Ų44.116%0.1621%0.206CC..Hα-helixtrans-56.3-33.1-178.2-70-17.4000113.3R231 M232 R283 H313 I318R231-N235 WeakPolarHBondContact O-CB 3.35Å; R231-N235 PolarHBondContact O-N 2.98Å; R231-N235 PolarHBondContact O-ND2 3.01Å; M232-N235 PolarHBondContact O-N 3.06Å; M232-N235 VanDerWaalsContact O-N 3.15Å; N235-R283 PolarHBondContact O-NH2 2.95Å; N235-R283 VanDerWaalsContact O-NH2 3.09Å; N235-H313 PolarHBondContact O-CE1 3.12Å; N235-I318 WeakPolarHBondContact ND2-CD1 3.46Å
236Y93.8Very high95.8Very high24 Ų2448.7 Ų48.79%0.09423%0.225CC..THydrogen-bonded Turntrans-892.9179.1-78.2-98.2000115.2L200 Q201 M232 L233 Y234 H313L200-Y236 HydrophobicContact CB-CD1 3.63Å; L200-Y236 HydrophobicContact CB-CD2 3.92Å; L200-Y236 HydrophobicContact CB-CE1 3.79Å; L200-Y236 HydrophobicContact CB-CE2 4.08Å; L200-Y236 HydrophobicContact CB-CG 3.68Å; L200-Y236 HydrophobicContact CD1-CD2 3.96Å; L200-Y236 HydrophobicContact CD1-CE2 4.46Å; L200-Y236 HydrophobicContact CD1-CG 4.2Å; L200-Y236 HydrophobicContact CD2-CG 4.19Å; L200-Y236 HydrophobicContact CG-CD2 4.43Å; L200-Y236 HydrophobicContact CG-CG 4.23Å; L200-Y236 WeakPolarHBondContact O-CD1 3.38Å; L200-Y236 VanDerWaalsContact O-CE1 3.28Å; L200-Y236 WeakPolarHBondContact O-CE1 3.42Å; Q201-Y236 WeakPolarHBondContact CG-OH 3.21Å; M232-Y236 VanDerWaalsContact O-CD2 3.25Å; M232-Y236 WeakPolarHBondContact O-CD2 3.19Å; M232-Y236 PolarHBondContact O-N 3.24Å; M232-Y236 VanDerWaalsContact O-N 3.12Å; L233-Y236 PolarHBondContact O-N 3.03Å; Y234-Y236 PolarHBondContact O-N 3.15Å; Y236-H313 AromaticContact CD1-CD2 3.95Å; Y236-H313 AromaticContact CD1-NE2 3.73Å; Y236-H313 HydrophobicContact CE1-CB 4.46Å; Y236-H313 AromaticContact CE1-CD2 3.39Å; Y236-H313 WeakPolarHBondContact CE1-CD2 3.46Å; Y236-H313 AromaticContact CE1-CG 3.87Å; Y236-H313 AromaticContact CE1-NE2 3.67Å; Y236-H313 AromaticContact CE2-ND1 3.97Å; Y236-H313 AromaticContact CZ-CD2 3.62Å; Y236-H313 AromaticContact CZ-CG 3.57Å; Y236-H313 AromaticContact CZ-ND1 3.93Å; Y236-H313 VanDerWaalsContact OH-CB 3.29Å; Y236-H313 WeakPolarHBondContact OH-CB 3.09Å
237G94.2Very high95.9Very high9 Ų949.6 Ų49.69%0.09324%0.239CC..THydrogen-bonded Turntrans106.718.9169.200000116T206 N207 L233 Y234 D239T206-G237 VanDerWaalsContact OG1-C 3.26Å; T206-G237 PolarHBondContact OG1-O 3.37Å; N207-G237 PolarHBondContact ND2-O 3.22Å; L233-G237 PolarHBondContact O-N 3.12Å; Y234-G237 PolarHBondContact O-N 3.35Å; G237-D239 PolarHBondContact O-N 3.38Å
238A96.4Very high96Very high0 Ų050.8 Ų50.80%024%0.243CC..  trans-59.5131.1170.500000110.9T206 L218 L233 R276T206-A238 HydrophobicContact CG2-CB 4.49Å; T206-A238 WeakPolarHBondContact OG1-CA 3.43Å; T206-A238 PolarHBondContact OG1-N 3.17Å; L218-A238 HydrophobicContact CB-CB 4.12Å; L218-A238 HydrophobicContact CD2-CB 3.92Å; L218-A238 HydrophobicContact CG-CB 4.47Å; L233-A238 HydrophobicContact CB-CB 3.93Å; L233-A238 WeakPolarHBondContact O-CB 3.47Å; L233-A238 PolarHBondContact O-N 3.34Å; A238-R276 PolarHBondContact O-NH2 3.29Å
239D95.6Very high96.1Very high70 Ų7048.4 Ų48.437%0.37423%0.231SC..  trans-80.6121.7175-175.4-4.2000109.7N207 G237 N241 T242N207-D239 PolarHBondContact OD1-N 3.08Å; G237-D239 PolarHBondContact O-N 3.38Å; D239-N241 VanDerWaalsContact C-N 3.25Å; D239-N241 PolarHBondContact O-N 3.31Å; D239-N241 WeakPolarHBondContact OD1-CB 3.39Å; D239-N241 PolarHBondContact OD1-N 3.48Å; D239-T242 WeakPolarHBondContact CB-OG1 3.46Å
240T95.7Very high96.2Very high13 Ų1348.4 Ų48.48%0.0823%0.231CC..SBendtrans-78.5-9.3-179.554.30000113L218 Y234 P250 V271L218-T240 HydrophobicContact CD2-CG2 3.91Å; Y234-T240 HydrophobicContact CD2-CG2 3.8Å; Y234-T240 HydrophobicContact CE2-CG2 4Å; T240-P250 WeakPolarHBondContact O-CD 3.45Å; T240-V271 HydrophobicContact CG2-CG2 3.85Å
241N95.1Very high96.2Very high101 Ų10149.9 Ų49.954%0.5424%0.239SC..SBendtrans-110.1-5.1-176.4-61.5-51.5000113.6D239 R243D239-N241 VanDerWaalsContact C-N 3.25Å; D239-N241 PolarHBondContact O-N 3.31Å; D239-N241 WeakPolarHBondContact OD1-CB 3.39Å; D239-N241 PolarHBondContact OD1-N 3.48Å; N241-R243 PolarHBondContact O-N 3.33Å
242T96.7Very high96.2Very high37 Ų3747 Ų4723%0.22724%0.236CC..  trans-54.3133.5174.3-60.60000109.8T216 H219 D239 T249 P250T216-T242 HydrophobicContact CG2-CG2 3.66Å; H219-T242 PolarHBondContact CE1-O 3.36Å; H219-T242 PolarHBondContact NE2-O 2.99Å; D239-T242 WeakPolarHBondContact CB-OG1 3.46Å; T242-T249 WeakPolarHBondContact O-CA 3.42Å; T242-P250 WeakPolarHBondContact O-CD 3.38Å
243R97.3Very high96.2Very high181 Ų18146.9 Ų46.968%0.68324%0.235SC*.  trans-101.2133.2177-65.4-176.1178.6-160.9-1.6110.4N241 Q248 T249N241-R243 PolarHBondContact O-N 3.33Å; R243-Q248 VanDerWaalsContact CA-O 3.31Å; R243-Q248 WeakPolarHBondContact CA-O 3.23Å; R243-T249 HydrophobicContact CG-CG2 4.09Å
244N97Very high96Very high7 Ų746.9 Ų46.94%0.03724%0.235CC..  trans-72.1-178.9167.5757.1000110.8D213 Q215 E246 G247 Q248D213-N244 WeakPolarHBondContact O-CB 3.25Å; Q215-N244 VanDerWaalsContact CD-ND2 3.31Å; Q215-N244 PolarHBondContact NE2-ND2 3.26Å; Q215-N244 PolarHBondContact OE1-ND2 2.98Å; N244-E246 PolarHBondContact O-N 3.46Å; N244-E246 WeakPolarHBondContact OD1-CA 3.19Å; N244-E246 WeakPolarHBondContact OD1-CB 3.16Å; N244-E246 PolarHBondContact OD1-N 3.14Å; N244-G247 WeakPolarHBondContact O-CA 3.17Å; N244-G247 PolarHBondContact O-N 3.5Å; N244-G247 PolarHBondContact OD1-N 3.31Å; N244-G247 VanDerWaalsContact OD1-N 3.14Å; N244-Q248 PolarHBondContact N-O 2.81Å; N244-Q248 PolarHBondContact ND2-OE1 3.26Å; N244-Q248 PolarHBondContact OD1-N 3.14Å; N244-Q248 PolarHBondContact OD1-O 2.79Å
245Y97.4Very high95.9Very high155 Ų15550 Ų5061%0.60825%0.253SS*.THydrogen-bonded Turntrans-68.7-18.3-177.9-61.2-17.2000114L211 D213L211-Y245 WeakPolarHBondContact O-CE2 3.38Å; D213-Y245 VanDerWaalsContact CA-CD2 3.47Å; D213-Y245 PolarHBondContact O-N 3.32Å
246E96.2Very high95.7Very high144 Ų14452.5 Ų52.567%0.67327%0.273SS*.THydrogen-bonded Turntrans-84.42.5170.9-57.8-173.3165.500112.3N244 Q248N244-E246 PolarHBondContact O-N 3.46Å; N244-E246 WeakPolarHBondContact OD1-CA 3.19Å; N244-E246 WeakPolarHBondContact OD1-CB 3.16Å; N244-E246 PolarHBondContact OD1-N 3.14Å; E246-Q248 HydrophobicContact CB-CG 4.15Å; E246-Q248 PolarHBondContact O-N 3.42Å; E246-Q248 PolarHBondContact OE2-OE1 3.03Å
247G96.9Very high95.4Very high36 Ų3653.5 Ų53.537%0.37128%0.279SS..SBendtrans76.77.3-17900000114.4N244N244-G247 WeakPolarHBondContact O-CA 3.17Å; N244-G247 PolarHBondContact O-N 3.5Å; N244-G247 PolarHBondContact OD1-N 3.31Å; N244-G247 VanDerWaalsContact OD1-N 3.14Å
248Q97.5Very high94.5Very high54 Ų5458.7 Ų58.725%0.25231%0.314SS..  trans-83.5139.4-179.2-57.2172.1-30.700110.4H219 R243 N244 E246 A252 V253H219-Q248 PolarHBondContact NE2-O 3.14Å; R243-Q248 VanDerWaalsContact CA-O 3.31Å; R243-Q248 WeakPolarHBondContact CA-O 3.23Å; N244-Q248 PolarHBondContact N-O 2.81Å; N244-Q248 PolarHBondContact ND2-OE1 3.26Å; N244-Q248 PolarHBondContact OD1-N 3.14Å; N244-Q248 PolarHBondContact OD1-O 2.79Å; E246-Q248 HydrophobicContact CB-CG 4.15Å; E246-Q248 PolarHBondContact O-N 3.42Å; E246-Q248 PolarHBondContact OE2-OE1 3.03Å; Q248-A252 HydrophobicContact CB-CB 4.11Å; Q248-V253 HydrophobicContact CB-CG2 3.91Å
249T97.7Very high93.6Very high29 Ų2961 Ų6118%0.17834%0.337CS..  trans-85.2167.6166.164.30000110.5T242 R243 L251 A252 V253T242-T249 WeakPolarHBondContact O-CA 3.42Å; R243-T249 HydrophobicContact CG-CG2 4.09Å; T249-L251 PolarHBondContact O-N 2.87Å; T249-A252 WeakPolarHBondContact O-CB 3.38Å; T249-A252 PolarHBondContact O-N 2.71Å; T249-A252 PolarHBondContact OG1-N 2.73Å; T249-V253 PolarHBondContact O-N 3.45Å
250P97.3Very high92.5Very high0 Ų064.3 Ų64.30%037%0.367CS..Hα-helixtrans-54.5-37.6172.3-27.234.5000113.2L218 H219 A222 T240 T242 S254 L268L218-P250 HydrophobicContact CB-CB 4.45Å; L218-P250 HydrophobicContact CB-CG 4.16Å; L218-P250 HydrophobicContact CD2-CB 4.13Å; L218-P250 HydrophobicContact CD2-CG 3.93Å; L218-P250 HydrophobicContact CG-CB 3.84Å; L218-P250 HydrophobicContact CG-CG 3.92Å; H219-P250 WeakPolarHBondContact NE2-CD 3.43Å; A222-P250 HydrophobicContact CB-CB 4.44Å; A222-P250 VanDerWaalsContact CB-O 3.3Å; A222-P250 WeakPolarHBondContact CB-O 3.11Å; T240-P250 WeakPolarHBondContact O-CD 3.45Å; T242-P250 WeakPolarHBondContact O-CD 3.38Å; P250-S254 WeakPolarHBondContact O-CB 3.4Å; P250-S254 PolarHBondContact O-N 2.89Å; P250-L268 HydrophobicContact CB-CD1 4.29Å; P250-L268 HydrophobicContact CB-CD2 4.41Å
251L96.8Very high91.8Very high31 Ų3167.9 Ų67.916%0.16239%0.392CS..Hα-helixtrans-64.2-44174.8175.461.2000111.7T249 S254 I255 L265 L268 Q269 T272T249-L251 PolarHBondContact O-N 2.87Å; L251-S254 WeakPolarHBondContact O-CB 3.24Å; L251-S254 PolarHBondContact O-N 3.4Å; L251-I255 HydrophobicContact CD1-CD1 4.26Å; L251-I255 HydrophobicContact CD1-CG1 4.39Å; L251-I255 HydrophobicContact CG-CD1 4.1Å; L251-I255 WeakPolarHBondContact O-CG1 3.45Å; L251-I255 PolarHBondContact O-N 3.32Å; L251-L265 HydrophobicContact CD1-CD1 3.62Å; L251-L268 HydrophobicContact CB-CB 4.33Å; L251-L268 HydrophobicContact CD1-CB 3.89Å; L251-Q269 HydrophobicContact CD1-CG 3.63Å; L251-T272 HydrophobicContact CB-CG2 4.37Å; L251-T272 HydrophobicContact CD2-CG2 4.2Å
252A96.5Very high91.4Very high36 Ų3665.5 Ų65.530%0.29838%0.375SS..Hα-helixtrans-63.7-42.8178.300000111.9Q248 T249 S254 I255 S256Q248-A252 HydrophobicContact CB-CB 4.11Å; T249-A252 WeakPolarHBondContact O-CB 3.38Å; T249-A252 PolarHBondContact O-N 2.71Å; T249-A252 PolarHBondContact OG1-N 2.73Å; A252-S254 VanDerWaalsContact C-N 3.31Å; A252-S254 PolarHBondContact O-N 2.88Å; A252-I255 PolarHBondContact O-N 3.47Å; A252-S256 PolarHBondContact O-N 3.27Å; A252-S256 VanDerWaalsContact O-N 3.16Å
253V95.4Very high91.3Very high1 Ų166 Ų661%0.00638%0.379CS..Hα-helixtrans-58.2-46.8171.9171.10000110A222 L223 Q248 T249 I255 S256A222-V253 HydrophobicContact CB-CG1 4.41Å; L223-V253 HydrophobicContact CB-CG1 3.89Å; L223-V253 HydrophobicContact CD1-CG1 4.15Å; Q248-V253 HydrophobicContact CB-CG2 3.91Å; T249-V253 PolarHBondContact O-N 3.45Å; V253-I255 VanDerWaalsContact C-N 3.32Å; V253-I255 PolarHBondContact O-N 3.01Å; V253-S256 PolarHBondContact O-N 3.39Å; V253-S256 PolarHBondContact O-OG 3.48Å
254S94.3Very high91.1Very high1 Ų157.4 Ų57.41%0.00735%0.347CS..Hα-helixtrans-55.2-49.4177.6-166.80000110.4P250 L251 A252 S256 I257 R262 L265P250-S254 WeakPolarHBondContact O-CB 3.4Å; P250-S254 PolarHBondContact O-N 2.89Å; L251-S254 WeakPolarHBondContact O-CB 3.24Å; L251-S254 PolarHBondContact O-N 3.4Å; A252-S254 VanDerWaalsContact C-N 3.31Å; A252-S254 PolarHBondContact O-N 2.88Å; S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 3.42Å; S254-I257 WeakPolarHBondContact O-CB 3.42Å; S254-I257 WeakPolarHBondContact O-CD1 3.24Å; S254-I257 WeakPolarHBondContact O-CG1 3.45Å; S254-I257 PolarHBondContact O-N 3.37Å; S254-R262 PolarHBondContact O-NH2 3.24Å; S254-L265 VanDerWaalsContact OG-CA 3.23Å; S254-L265 WeakPolarHBondContact OG-CA 3.32Å; S254-L265 WeakPolarHBondContact OG-CB 3.14Å; S254-L265 PolarHBondContact OG-N 2.81Å
255I93.8Very high91.1Very high92 Ų9257.9 Ų57.947%0.47235%0.349SS..Hα-helixtrans-57.9-35.7-179.8-68.4165.6000113.5L251 A252 V253 I257 R262 L265L251-I255 HydrophobicContact CD1-CD1 4.26Å; L251-I255 HydrophobicContact CD1-CG1 4.39Å; L251-I255 HydrophobicContact CG-CD1 4.1Å; L251-I255 WeakPolarHBondContact O-CG1 3.45Å; L251-I255 PolarHBondContact O-N 3.32Å; A252-I255 PolarHBondContact O-N 3.47Å; V253-I255 VanDerWaalsContact C-N 3.32Å; V253-I255 PolarHBondContact O-N 3.01Å; I255-I257 PolarHBondContact O-N 2.84Å; I255-R262 PolarHBondContact O-NH2 3.28Å; I255-L265 HydrophobicContact CD1-CD1 4.47Å; I255-L265 HydrophobicContact CG1-CD1 3.5Å
256S89.1Confident90.9Very high82 Ų8255.1 Ų55.157%0.57335%0.345SS*.Hα-helixtrans-68.6-13.6-179.862.80000115.1A252 V253 S254A252-S256 PolarHBondContact O-N 3.27Å; A252-S256 VanDerWaalsContact O-N 3.16Å; V253-S256 PolarHBondContact O-N 3.39Å; V253-S256 PolarHBondContact O-OG 3.48Å; S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 3.42Å
257I87.4Confident90.9Very high45 Ų4548.6 Ų48.623%0.23131%0.314CS..SBendtrans-76.2143.1-180-56.4162000110.4A222 L223 S254 I255 R262A222-I257 WeakPolarHBondContact O-CD1 3.42Å; L223-I257 WeakPolarHBondContact O-CD1 3.43Å; S254-I257 WeakPolarHBondContact O-CB 3.42Å; S254-I257 WeakPolarHBondContact O-CD1 3.24Å; S254-I257 WeakPolarHBondContact O-CG1 3.45Å; S254-I257 PolarHBondContact O-N 3.37Å; I255-I257 PolarHBondContact O-N 2.84Å; I257-R262 PolarHBondContact O-NH1 3.2Å; I257-R262 PolarHBondContact O-NH2 3.17Å
258S75.3Confident90.9Very high117 Ų11746.9 Ų46.982%0.81830%0.297SS*.  trans-94.6135171.352.10000110.8
259G76.6Confident90.8Very high48 Ų4847.1 Ų47.150%0.49530%0.298SS..  trans166.7150.7178.400000113.3R262G259-R262 WeakPolarHBondContact O-CD 3.38Å
260S72.2Confident90.6Very high141 Ų14150.5 Ų50.599%0.98631%0.312SS*.SBendtrans-80.7-26.2-176.1-46.50000113.9
261S80.3Confident90.5Very high87 Ų8751.3 Ų51.361%0.60832%0.316SS*.  trans-123127.7175.4172.20000107.9
262R87.8Confident90.3Very high52 Ų5252 Ų5220%0.19632%0.322CS..  trans-139.165.7-173.6-57.617372.5168.410.2111.2S254 I255 I257 G259 C264 L265 D266S254-R262 PolarHBondContact O-NH2 3.24Å; I255-R262 PolarHBondContact O-NH2 3.28Å; I257-R262 PolarHBondContact O-NH1 3.2Å; I257-R262 PolarHBondContact O-NH2 3.17Å; G259-R262 WeakPolarHBondContact O-CD 3.38Å; R262-C264 PolarHBondContact O-N 2.79Å; R262-C264 VanDerWaalsContact O-N 3.17Å; R262-L265 HydrophobicContact CB-CB 3.7Å; R262-L265 HydrophobicContact CB-CD2 4.31Å; R262-L265 WeakPolarHBondContact O-CA 3.31Å; R262-L265 WeakPolarHBondContact O-CB 3.22Å; R262-L265 PolarHBondContact O-N 3.11Å; R262-D266 PolarHBondContact O-N 3.25Å; R262-D266 VanDerWaalsContact O-N 3.12Å
263P93.9Very high90.1Very high47 Ų4759.4 Ų59.431%0.30534%0.342SS..Hα-helixtrans-60.7-29.7-173.9-22.536.4000113D225 V227 F267D225-P263 WeakPolarHBondContact OD1-CD 3.25Å; D225-P263 WeakPolarHBondContact OD2-CD 3.42Å; V227-P263 HydrophobicContact CB-CB 3.97Å; V227-P263 HydrophobicContact CG1-CB 3.93Å; V227-P263 HydrophobicContact CG2-CB 4.22Å; V227-P263 WeakPolarHBondContact CG2-O 3.4Å; P263-F267 VanDerWaalsContact O-CB 3.31Å; P263-F267 WeakPolarHBondContact O-CB 3.46Å; P263-F267 PolarHBondContact O-N 3.45Å
264C94.1Very high89.9Confident0 Ų065.4 Ų65.40%037%0.37CS..Hα-helixtrans-72.4-32.8175.8-165.10000111.9D225 V227 A230 R262 L268D225-C264 WeakPolarHBondContact OD1-CB 3.44Å; D225-C264 PolarHBondContact OD1-N 2.88Å; V227-C264 HydrophobicContact CB-CB 4.38Å; A230-C264 VanDerWaalsContact CB-SG 3.58Å; R262-C264 PolarHBondContact O-N 2.79Å; R262-C264 VanDerWaalsContact O-N 3.17Å; C264-L268 VanDerWaalsContact O-CB 3.29Å; C264-L268 WeakPolarHBondContact O-CB 3.3Å; C264-L268 WeakPolarHBondContact O-CD1 3.43Å; C264-L268 WeakPolarHBondContact O-CG 3.49Å; C264-L268 PolarHBondContact O-N 3.46Å
265L95.6Very high89.3Confident17 Ų1771.3 Ų71.39%0.08941%0.408CS..Hα-helixtrans-64-51173.8175.660000110.2L251 S254 I255 R262 F267 L268 Q269L251-L265 HydrophobicContact CD1-CD1 3.62Å; S254-L265 VanDerWaalsContact OG-CA 3.23Å; S254-L265 WeakPolarHBondContact OG-CA 3.32Å; S254-L265 WeakPolarHBondContact OG-CB 3.14Å; S254-L265 PolarHBondContact OG-N 2.81Å; I255-L265 HydrophobicContact CD1-CD1 4.47Å; I255-L265 HydrophobicContact CG1-CD1 3.5Å; R262-L265 HydrophobicContact CB-CB 3.7Å; R262-L265 HydrophobicContact CB-CD2 4.31Å; R262-L265 WeakPolarHBondContact O-CA 3.31Å; R262-L265 WeakPolarHBondContact O-CB 3.22Å; R262-L265 PolarHBondContact O-N 3.11Å; L265-F267 VanDerWaalsContact C-N 3.31Å; L265-F267 PolarHBondContact O-N 3.43Å; L265-L268 PolarHBondContact O-N 3.4Å; L265-Q269 HydrophobicContact CD1-CG 4.04Å; L265-Q269 HydrophobicContact CG-CG 4.42Å; L265-Q269 WeakPolarHBondContact O-CB 3.4Å; L265-Q269 VanDerWaalsContact O-CG 3.32Å; L265-Q269 WeakPolarHBondContact O-CG 3.47Å; L265-Q269 PolarHBondContact O-N 2.97Å
266D94.8Very high89.2Confident98 Ų9868.8 Ų68.852%0.52439%0.393SS..Hα-helixtrans-58.4-46.7-179.4-62.5-28000110.6R262 Q269 E270R262-D266 PolarHBondContact O-N 3.25Å; R262-D266 VanDerWaalsContact O-N 3.12Å; D266-Q269 PolarHBondContact O-N 3.23Å; D266-E270 PolarHBondContact O-N 3.35Å
267F95.8Very high89.4Confident7 Ų768.9 Ų68.93%0.03139%0.387CS..Hα-helixtrans-59-49.4175.1171-111.9000112.3V227 A230 R231 Y234 P263 L265 Q269 E270 V271V227-F267 HydrophobicContact CG2-CB 3.89Å; V227-F267 HydrophobicContact CG2-CG 4.28Å; A230-F267 HydrophobicContact CB-CD1 3.9Å; A230-F267 HydrophobicContact CB-CE1 3.89Å; R231-F267 HydrophobicContact CB-CZ 4.38Å; R231-F267 HydrophobicContact CG-CD1 4.36Å; R231-F267 HydrophobicContact CG-CD2 3.92Å; R231-F267 HydrophobicContact CG-CE1 4.15Å; R231-F267 HydrophobicContact CG-CE2 3.67Å; R231-F267 HydrophobicContact CG-CG 4.25Å; R231-F267 HydrophobicContact CG-CZ 3.8Å; Y234-F267 HydrophobicContact CD1-CZ 4.17Å; Y234-F267 AromaticContact CG-CZ 3.92Å; Y234-F267 HydrophobicContact CG-CZ 3.92Å; P263-F267 VanDerWaalsContact O-CB 3.31Å; P263-F267 WeakPolarHBondContact O-CB 3.46Å; P263-F267 PolarHBondContact O-N 3.45Å; L265-F267 VanDerWaalsContact C-N 3.31Å; L265-F267 PolarHBondContact O-N 3.43Å; F267-Q269 VanDerWaalsContact C-N 3.32Å; F267-Q269 PolarHBondContact O-N 2.87Å; F267-E270 WeakPolarHBondContact O-CB 3.18Å; F267-E270 PolarHBondContact O-N 2.82Å; F267-V271 HydrophobicContact CD2-CG1 3.93Å; F267-V271 HydrophobicContact CE1-CG2 4.36Å; F267-V271 HydrophobicContact CE2-CG1 3.37Å; F267-V271 HydrophobicContact CZ-CG1 3.73Å; F267-V271 HydrophobicContact CZ-CG2 4.26Å; F267-V271 WeakPolarHBondContact O-CG2 3.29Å; F267-V271 PolarHBondContact O-N 3.13Å
268L96Very high89.7Confident0 Ų073 Ų730%041%0.409CS..Hα-helixtrans-65.7-35.1-179-73170.2000112L218 A222 P250 L251 C264 L265 V271 T272L218-L268 HydrophobicContact CD1-CD2 4.23Å; L218-L268 HydrophobicContact CD2-CD2 4.3Å; L218-L268 HydrophobicContact CG-CD2 4.37Å; A222-L268 HydrophobicContact CB-CD1 3.73Å; P250-L268 HydrophobicContact CB-CD1 4.29Å; P250-L268 HydrophobicContact CB-CD2 4.41Å; L251-L268 HydrophobicContact CB-CB 4.33Å; L251-L268 HydrophobicContact CD1-CB 3.89Å; C264-L268 VanDerWaalsContact O-CB 3.29Å; C264-L268 WeakPolarHBondContact O-CB 3.3Å; C264-L268 WeakPolarHBondContact O-CD1 3.43Å; C264-L268 WeakPolarHBondContact O-CG 3.49Å; C264-L268 PolarHBondContact O-N 3.46Å; L265-L268 PolarHBondContact O-N 3.4Å; L268-V271 HydrophobicContact CD2-CG2 4.4Å; L268-T272 VanDerWaalsContact O-CB 3.27Å; L268-T272 WeakPolarHBondContact O-CB 3.39Å; L268-T272 WeakPolarHBondContact O-CG2 3.36Å; L268-T272 PolarHBondContact O-N 3.05Å; L268-T272 PolarHBondContact O-OG1 3.18Å
269Q95.3Very high90.5Very high58 Ų5873 Ų7327%0.27140%0.396SS..Hα-helixtrans-64.3-40.4173.1-73.7-179.2-4.800111.9L251 L265 D266 F267 T272 R273L251-Q269 HydrophobicContact CD1-CG 3.63Å; L265-Q269 HydrophobicContact CD1-CG 4.04Å; L265-Q269 HydrophobicContact CG-CG 4.42Å; L265-Q269 WeakPolarHBondContact O-CB 3.4Å; L265-Q269 VanDerWaalsContact O-CG 3.32Å; L265-Q269 WeakPolarHBondContact O-CG 3.47Å; L265-Q269 PolarHBondContact O-N 2.97Å; D266-Q269 PolarHBondContact O-N 3.23Å; F267-Q269 VanDerWaalsContact C-N 3.32Å; F267-Q269 PolarHBondContact O-N 2.87Å; Q269-T272 PolarHBondContact O-OG1 2.97Å; Q269-R273 WeakPolarHBondContact O-CB 3.22Å; Q269-R273 WeakPolarHBondContact O-CD 3.31Å; Q269-R273 WeakPolarHBondContact O-CG 3.06Å; Q269-R273 PolarHBondContact O-N 3.31Å
270E94.8Very high91.2Very high101 Ų10171.9 Ų71.947%0.47238%0.378SS..Hα-helixtrans-62.1-55.6176.5-174.8-174.6176.700111D266 F267 T272 R273 Q274D266-E270 PolarHBondContact O-N 3.35Å; F267-E270 WeakPolarHBondContact O-CB 3.18Å; F267-E270 PolarHBondContact O-N 2.82Å; E270-T272 VanDerWaalsContact C-N 3.32Å; E270-T272 PolarHBondContact O-N 3.47Å; E270-R273 PolarHBondContact O-N 2.83Å; E270-Q274 PolarHBondContact O-N 3.25Å; E270-Q274 VanDerWaalsContact O-N 3.15Å
271V94.1Very high92.2Very high16 Ų1669.3 Ų69.310%0.09735%0.353CS..Hα-helixtrans-75.9-15.9-173.6-58.30000114.6Y234 T240 F267 L268Y234-V271 HydrophobicContact CD1-CG1 4.39Å; Y234-V271 HydrophobicContact CD2-CB 4.15Å; Y234-V271 HydrophobicContact CD2-CG1 4.41Å; Y234-V271 HydrophobicContact CD2-CG2 4.06Å; Y234-V271 HydrophobicContact CE1-CB 4.46Å; Y234-V271 HydrophobicContact CE1-CG1 4.05Å; Y234-V271 HydrophobicContact CE2-CB 3.6Å; Y234-V271 HydrophobicContact CE2-CG1 4.05Å; Y234-V271 HydrophobicContact CE2-CG2 3.93Å; T240-V271 HydrophobicContact CG2-CG2 3.85Å; F267-V271 HydrophobicContact CD2-CG1 3.93Å; F267-V271 HydrophobicContact CE1-CG2 4.36Å; F267-V271 HydrophobicContact CE2-CG1 3.37Å; F267-V271 HydrophobicContact CZ-CG1 3.73Å; F267-V271 HydrophobicContact CZ-CG2 4.26Å; F267-V271 WeakPolarHBondContact O-CG2 3.29Å; F267-V271 PolarHBondContact O-N 3.13Å; L268-V271 HydrophobicContact CD2-CG2 4.4Å
272T93.3Very high92.9Very high45 Ų4568 Ų6828%0.27634%0.343SS..Hα-helixtrans-83.9-27.5172.451.10000112.3L251 L268 Q269 E270L251-T272 HydrophobicContact CB-CG2 4.37Å; L251-T272 HydrophobicContact CD2-CG2 4.2Å; L268-T272 VanDerWaalsContact O-CB 3.27Å; L268-T272 WeakPolarHBondContact O-CB 3.39Å; L268-T272 WeakPolarHBondContact O-CG2 3.36Å; L268-T272 PolarHBondContact O-N 3.05Å; L268-T272 PolarHBondContact O-OG1 3.18Å; Q269-T272 PolarHBondContact O-OG1 2.97Å; E270-T272 VanDerWaalsContact C-N 3.32Å; E270-T272 PolarHBondContact O-N 3.47Å
273R92.9Very high93.2Very high193 Ų19365.9 Ų65.973%0.72834%0.335SS*.Hα-helixtrans-78.4-32174.7-72.8173.7-177.4170.14.4112.3Q269 E270Q269-R273 WeakPolarHBondContact O-CB 3.22Å; Q269-R273 WeakPolarHBondContact O-CD 3.31Å; Q269-R273 WeakPolarHBondContact O-CG 3.06Å; Q269-R273 PolarHBondContact O-N 3.31Å; E270-R273 PolarHBondContact O-N 2.83Å
274Q89.8Confident93.1Very high126 Ų12664.7 Ų64.759%0.58933%0.326SS*.SBendtrans-107.1120.4-178.5-62.9-169.31.400111.1E270E270-Q274 PolarHBondContact O-N 3.25Å; E270-Q274 VanDerWaalsContact O-N 3.15Å
275P81.9Confident93.1Very high125 Ų12570.7 Ų70.781%0.81235%0.352SS*.PPolyproline II helixtrans-64148.4173.828-33.5000110.5N277P275-N277 PolarHBondContact O-N 3.36Å
276R92.3Very high92.9Very high39 Ų3972.7 Ų72.715%0.14736%0.363CS..PPolyproline II helixtrans-53.6140.2170.4-71.3173.2-174.2-102.36.2109.7Y234 A238 D280 L281 I284Y234-R276 HydrophobicContact CE1-CG 4.5Å; Y234-R276 HydrophobicContact CE2-CG 4.22Å; Y234-R276 PolarHBondContact O-NH1 2.97Å; Y234-R276 PolarHBondContact O-NH2 3.48Å; Y234-R276 VanDerWaalsContact OH-CG 3.24Å; Y234-R276 WeakPolarHBondContact OH-CG 3.42Å; A238-R276 PolarHBondContact O-NH2 3.29Å; R276-D280 HydrophobicContact CB-CB 4.33Å; R276-L281 HydrophobicContact CB-CD2 3.97Å; R276-L281 HydrophobicContact CB-CG 3.93Å; R276-I284 VanDerWaalsContact NH1-CD1 3.27Å
277N92.8Very high92.8Very high84 Ų8468.7 Ų68.745%0.44934%0.34SS..PPolyproline II helixtrans-65.5161.8173.265.358.2000110.7P275 Q279 D280 L281P275-N277 PolarHBondContact O-N 3.36Å; N277-Q279 PolarHBondContact O-N 3Å; N277-Q279 WeakPolarHBondContact OD1-CA 3.27Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.13Å; N277-Q279 PolarHBondContact OD1-N 2.88Å; N277-D280 VanDerWaalsContact CG-OD2 3.31Å; N277-D280 PolarHBondContact ND2-OD2 3.36Å; N277-D280 PolarHBondContact O-N 3.43Å; N277-D280 PolarHBondContact OD1-N 3.15Å; N277-D280 PolarHBondContact OD1-OD2 3.01Å; N277-L281 WeakPolarHBondContact O-CG 3.4Å; N277-L281 PolarHBondContact O-N 2.89Å; N277-L281 VanDerWaalsContact O-N 3.14Å
278L93.8Very high92.4Very high133 Ų13373.1 Ų73.170%0.69636%0.361SS*.Hα-helixtrans-57.9-35.7-178.9-179.761000112.3L281 C282L278-L281 PolarHBondContact O-N 2.99Å; L278-C282 WeakPolarHBondContact O-CB 3.43Å; L278-C282 PolarHBondContact O-N 2.94Å; L278-C282 PolarHBondContact O-SG 3.03Å
279Q92.6Very high92.1Very high115 Ų11577.7 Ų77.754%0.53739%0.392SS..Hα-helixtrans-65.7-44-177.9-163.5-173.7-29.800111.8N277 C282 R283 Y310N277-Q279 PolarHBondContact O-N 3Å; N277-Q279 WeakPolarHBondContact OD1-CA 3.27Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.13Å; N277-Q279 PolarHBondContact OD1-N 2.88Å; Q279-C282 PolarHBondContact O-N 3.37Å; Q279-R283 PolarHBondContact O-N 3.31Å; Q279-Y310 HydrophobicContact CG-CD1 4.33Å; Q279-Y310 HydrophobicContact CG-CE1 3.54Å; Q279-Y310 VanDerWaalsContact NE2-CZ 3.29Å
280D91.8Very high91.8Very high25 Ų2576.4 Ų76.413%0.13439%0.387CS..Hα-helixtrans-65-42.8176-71.5-39.7000111R276 N277 R283 I284 Y310R276-D280 HydrophobicContact CB-CB 4.33Å; N277-D280 VanDerWaalsContact CG-OD2 3.31Å; N277-D280 PolarHBondContact ND2-OD2 3.36Å; N277-D280 PolarHBondContact O-N 3.43Å; N277-D280 PolarHBondContact OD1-N 3.15Å; N277-D280 PolarHBondContact OD1-OD2 3.01Å; D280-R283 PolarHBondContact O-N 3.25Å; D280-R283 IonicContact OD1-CZ 2.75Å; D280-R283 VanDerWaalsContact OD1-CZ 3.31Å; D280-R283 IonicContact OD1-NH1 3.06Å; D280-R283 IonicContact OD1-NH2 2.8Å; D280-R283 PolarHBondContact OD1-NH2 3.04Å; D280-I284 WeakPolarHBondContact O-CD1 3.32Å; D280-I284 VanDerWaalsContact O-CG1 3.25Å; D280-I284 WeakPolarHBondContact O-CG1 3.36Å; D280-I284 PolarHBondContact O-N 3.26Å; D280-Y310 WeakPolarHBondContact CA-OH 3.32Å; D280-Y310 PolarHBondContact N-OH 2.94Å; D280-Y310 PolarHBondContact OD1-OH 3.01Å
281L93.5Very high91.1Very high88 Ų8872.7 Ų72.746%0.46138%0.376SS..Hα-helixtrans-61.1-45.3175.9-69.3172.7000111.5R276 N277 L278 R283 I284 K285R276-L281 HydrophobicContact CB-CD2 3.97Å; R276-L281 HydrophobicContact CB-CG 3.93Å; N277-L281 WeakPolarHBondContact O-CG 3.4Å; N277-L281 PolarHBondContact O-N 2.89Å; N277-L281 VanDerWaalsContact O-N 3.14Å; L278-L281 PolarHBondContact O-N 2.99Å; L281-R283 PolarHBondContact O-N 2.92Å; L281-I284 PolarHBondContact O-N 3.38Å; L281-K285 WeakPolarHBondContact O-CB 3.42Å; L281-K285 PolarHBondContact O-N 2.95Å
282C94.3Very high90.1Very high59 Ų5973.9 Ų73.940%0.39938%0.381SS..Hα-helixtrans-59.9-44.3174.1-73.40000111.4L278 Q279 I284 K285 I286L278-C282 WeakPolarHBondContact O-CB 3.43Å; L278-C282 PolarHBondContact O-N 2.94Å; L278-C282 PolarHBondContact O-SG 3.03Å; Q279-C282 PolarHBondContact O-N 3.37Å; C282-I284 PolarHBondContact O-N 3.3Å; C282-K285 PolarHBondContact O-N 3.03Å; C282-I286 WeakPolarHBondContact O-CB 3.36Å; C282-I286 WeakPolarHBondContact O-CD1 3.47Å; C282-I286 WeakPolarHBondContact O-CG1 3.47Å; C282-I286 PolarHBondContact O-N 3.13Å
283R93.8Very high88.9Confident7 Ų776.5 Ų76.53%0.02639%0.39CS..Hα-helixtrans-58.1-50.2177.3173.9176.670.8-149.3-7.9112N235 Q279 D280 L281 K285 I286 R287 Y310 L311 H313N235-R283 PolarHBondContact O-NH2 2.95Å; N235-R283 VanDerWaalsContact O-NH2 3.09Å; Q279-R283 PolarHBondContact O-N 3.31Å; D280-R283 PolarHBondContact O-N 3.25Å; D280-R283 IonicContact OD1-CZ 2.75Å; D280-R283 VanDerWaalsContact OD1-CZ 3.31Å; D280-R283 IonicContact OD1-NH1 3.06Å; D280-R283 IonicContact OD1-NH2 2.8Å; D280-R283 PolarHBondContact OD1-NH2 3.04Å; L281-R283 PolarHBondContact O-N 2.92Å; R283-K285 VanDerWaalsContact C-N 3.33Å; R283-K285 PolarHBondContact O-N 3.49Å; R283-I286 PolarHBondContact O-N 3.02Å; R283-R287 WeakPolarHBondContact O-CB 3.31Å; R283-R287 VanDerWaalsContact O-CG 3.32Å; R283-R287 WeakPolarHBondContact O-CG 3.44Å; R283-R287 PolarHBondContact O-N 3.26Å; R283-Y310 HydrophobicContact CB-CD1 4.36Å; R283-Y310 HydrophobicContact CB-CE1 3.7Å; R283-Y310 WeakPolarHBondContact CD-O 3.49Å; R283-Y310 HydrophobicContact CG-CE1 4.26Å; R283-Y310 PolarHBondContact NH1-OH 2.95Å; R283-L311 HydrophobicContact CB-CD2 3.94Å; R283-L311 HydrophobicContact CG-CD2 3.92Å; R283-H313 VanDerWaalsContact CZ-CE1 3.43Å; R283-H313 PolarHBondContact NE-CE1 3.05Å
284I92.1Very high88.4Confident22 Ų2270.6 Ų70.611%0.11337%0.373CS..Hα-helixtrans-59.8-48.1-180-65.1156.4000109.7R276 D280 L281 C282 I286 R287 Q288R276-I284 VanDerWaalsContact NH1-CD1 3.27Å; D280-I284 WeakPolarHBondContact O-CD1 3.32Å; D280-I284 VanDerWaalsContact O-CG1 3.25Å; D280-I284 WeakPolarHBondContact O-CG1 3.36Å; D280-I284 PolarHBondContact O-N 3.26Å; L281-I284 PolarHBondContact O-N 3.38Å; C282-I284 PolarHBondContact O-N 3.3Å; I284-I286 PolarHBondContact O-N 3.26Å; I284-R287 PolarHBondContact O-N 3.44Å; I284-Q288 WeakPolarHBondContact O-CG 3.4Å; I284-Q288 PolarHBondContact O-N 3.09Å
285K92.9Very high88.2Confident126 Ų12665.8 Ų65.855%0.54835%0.351SS..Hα-helixtrans-63.7-43.2-178.2-168.763.8177.1179.50112.3L281 C282 R283 Q288 C289L281-K285 WeakPolarHBondContact O-CB 3.42Å; L281-K285 PolarHBondContact O-N 2.95Å; C282-K285 PolarHBondContact O-N 3.03Å; R283-K285 VanDerWaalsContact C-N 3.33Å; R283-K285 PolarHBondContact O-N 3.49Å; K285-Q288 PolarHBondContact O-N 2.88Å; K285-C289 WeakPolarHBondContact O-CB 3.4Å; K285-C289 PolarHBondContact O-N 3.46Å; K285-C289 PolarHBondContact O-SG 3.02Å
286I93.1Very high88.4Confident60 Ų6066.6 Ų66.631%0.30834%0.342SS..Hα-helixtrans-62.7-46.1177.7-69.1163.1000110.8C282 R283 I284 Q288 C289 I290 L298 L301 L311C282-I286 WeakPolarHBondContact O-CB 3.36Å; C282-I286 WeakPolarHBondContact O-CD1 3.47Å; C282-I286 WeakPolarHBondContact O-CG1 3.47Å; C282-I286 PolarHBondContact O-N 3.13Å; R283-I286 PolarHBondContact O-N 3.02Å; I284-I286 PolarHBondContact O-N 3.26Å; I286-Q288 VanDerWaalsContact C-N 3.33Å; I286-Q288 PolarHBondContact O-N 2.9Å; I286-C289 PolarHBondContact O-N 3.09Å; I286-I290 HydrophobicContact CG2-CD1 3.88Å; I286-I290 PolarHBondContact O-N 3.3Å; I286-L298 HydrophobicContact CG2-CD2 4.25Å; I286-L301 HydrophobicContact CG2-CD1 4Å; I286-L311 HydrophobicContact CB-CD2 4.07Å; I286-L311 HydrophobicContact CD1-CD1 4.44Å; I286-L311 HydrophobicContact CD1-CD2 3.98Å; I286-L311 HydrophobicContact CG2-CD1 3.83Å; I286-L311 HydrophobicContact CG2-CD2 4.08Å
287R91.9Very high88.3Confident13 Ų1367.6 Ų67.65%0.04935%0.35CS..Hα-helixtrans-60.6-41.8177.3-71.9175.465.980.32.5111.9L200 R283 I284 G291 L295 L311L200-R287 PolarHBondContact O-NH2 3.23Å; R283-R287 WeakPolarHBondContact O-CB 3.31Å; R283-R287 VanDerWaalsContact O-CG 3.32Å; R283-R287 WeakPolarHBondContact O-CG 3.44Å; R283-R287 PolarHBondContact O-N 3.26Å; I284-R287 PolarHBondContact O-N 3.44Å; R287-G291 PolarHBondContact O-N 3.14Å; R287-L295 HydrophobicContact CB-CD2 4.48Å; R287-L295 HydrophobicContact CG-CD2 4.42Å; R287-L311 WeakPolarHBondContact CD-O 3.49Å; R287-L311 PolarHBondContact NH1-O 3.22Å
288Q87.9Confident88.2Confident100 Ų10063.7 Ų63.747%0.46733%0.329SS..Hα-helixtrans-63.2-45.3174.5-73.9174.4-11.900112I284 K285 I286 I290 G291I284-Q288 WeakPolarHBondContact O-CG 3.4Å; I284-Q288 PolarHBondContact O-N 3.09Å; K285-Q288 PolarHBondContact O-N 2.88Å; I286-Q288 VanDerWaalsContact C-N 3.33Å; I286-Q288 PolarHBondContact O-N 2.9Å; Q288-I290 PolarHBondContact O-N 2.93Å; Q288-G291 PolarHBondContact O-N 2.99Å; Q288-G291 VanDerWaalsContact O-N 3.08Å
289C89.6Confident88Confident97 Ų9761.5 Ų61.566%0.65532%0.318SS*.Hα-helixtrans-66.2-34.5-178.6-74.40000113.7K285 I286 G291K285-C289 WeakPolarHBondContact O-CB 3.4Å; K285-C289 PolarHBondContact O-N 3.46Å; K285-C289 PolarHBondContact O-SG 3.02Å; I286-C289 PolarHBondContact O-N 3.09Å; C289-G291 PolarHBondContact O-N 2.95Å
290I88.2Confident88.1Confident30 Ų3063 Ų6315%0.15433%0.325CS..Hα-helixtrans-68.5-24.5174-74.8168.9000111.4I286 Q288 N294 L297 L298 L301I286-I290 HydrophobicContact CG2-CD1 3.88Å; I286-I290 PolarHBondContact O-N 3.3Å; Q288-I290 PolarHBondContact O-N 2.93Å; I290-N294 HydrophobicContact CG2-CB 4.08Å; I290-N294 VanDerWaalsContact CG2-O 3.22Å; I290-N294 WeakPolarHBondContact CG2-O 3.42Å; I290-N294 WeakPolarHBondContact O-CB 3.5Å; I290-L297 HydrophobicContact CG2-CB 4.06Å; I290-L298 HydrophobicContact CD1-CD2 3.26Å; I290-L298 HydrophobicContact CD1-CG 3.87Å; I290-L301 HydrophobicContact CD1-CD1 3.98Å; I290-L301 HydrophobicContact CD1-CD2 4.31Å; I290-L301 HydrophobicContact CD1-CG 4.33Å
291G80.9Confident88.2Confident24 Ų2463.9 Ų63.925%0.24733%0.33CS..  trans87.1128.6-168.700000109.7R287 Q288 C289 Q293 N294R287-G291 PolarHBondContact O-N 3.14Å; Q288-G291 PolarHBondContact O-N 2.99Å; Q288-G291 VanDerWaalsContact O-N 3.08Å; C289-G291 PolarHBondContact O-N 2.95Å; G291-Q293 PolarHBondContact O-N 3.25Å; G291-N294 PolarHBondContact O-N 3.18Å
292L72Confident88.2Confident41 Ų4166 Ų6622%0.21535%0.349CS..THydrogen-bonded Turntrans-63.8-18.8-173.3-63175.9000113.5G203 D205 L295G203-L292 WeakPolarHBondContact O-CB 3.44Å; G203-L292 VanDerWaalsContact O-CD1 3.28Å; G203-L292 WeakPolarHBondContact O-CD1 3.5Å; D205-L292 HydrophobicContact CB-CD1 4.09Å; L292-L295 WeakPolarHBondContact O-CD1 3.32Å; L292-L295 WeakPolarHBondContact O-CG 3.22Å
293Q69.8Low88.3Confident99 Ų9966.2 Ų66.246%0.46335%0.345SS..THydrogen-bonded Turntrans-88.9-9.5175.3-60.91802.600113.8N175 G291N175-Q293 PolarHBondContact OD1-NE2 3Å; N175-Q293 VanDerWaalsContact OD1-NE2 3.13Å; G291-Q293 PolarHBondContact O-N 3.25Å
294N82.4Confident88.3Confident70 Ų7068.7 Ų68.737%0.37437%0.368SS..  trans-113.326.8-174.6-68.9-39.8000112.9I290 G291 K296 L297I290-N294 HydrophobicContact CG2-CB 4.08Å; I290-N294 VanDerWaalsContact CG2-O 3.22Å; I290-N294 WeakPolarHBondContact CG2-O 3.42Å; I290-N294 WeakPolarHBondContact O-CB 3.5Å; G291-N294 PolarHBondContact O-N 3.18Å; N294-K296 PolarHBondContact O-N 3.35Å; N294-L297 HydrophobicContact CB-CD1 3.89Å; N294-L297 HydrophobicContact CB-CG 4.25Å; N294-L297 WeakPolarHBondContact O-CB 3.49Å; N294-L297 WeakPolarHBondContact O-CG 3.31Å; N294-L297 PolarHBondContact O-N 3.26Å
295L84.3Confident88.4Confident24 Ų2474.9 Ų74.913%0.12639%0.394CS..G310 helixtrans-59.6-16.1-175.3-62.9172.9000114.4Q201 R287 L292 L297 L298Q201-L295 WeakPolarHBondContact O-CD1 3.4Å; R287-L295 HydrophobicContact CB-CD2 4.48Å; R287-L295 HydrophobicContact CG-CD2 4.42Å; L292-L295 WeakPolarHBondContact O-CD1 3.32Å; L292-L295 WeakPolarHBondContact O-CG 3.22Å; L295-L297 PolarHBondContact O-N 3.21Å; L295-L298 HydrophobicContact CB-CD1 4.19Å; L295-L298 HydrophobicContact CD2-CD1 4.01Å; L295-L298 WeakPolarHBondContact O-CB 3.5Å; L295-L298 WeakPolarHBondContact O-CD1 3.49Å; L295-L298 VanDerWaalsContact O-CG 3.27Å; L295-L298 WeakPolarHBondContact O-CG 3.29Å; L295-L298 PolarHBondContact O-N 3.23Å; L295-L298 VanDerWaalsContact O-N 3.16Å
296K86.1Confident88.3Confident142 Ų14274 Ų7462%0.61740%0.399SS*.G310 helixtrans-58.9-30.8168.760.6-178.5178.6-178.50113.2N294 L298 D299N294-K296 PolarHBondContact O-N 3.35Å; K296-L298 PolarHBondContact O-N 2.71Å; K296-D299 PolarHBondContact O-N 2.93Å
297L89.7Confident88.3Confident61 Ų6176.5 Ų76.532%0.31941%0.41SS..G310 helixtrans-69.2-11.6178.2-58.1-180000112.8I290 N294 L295 D299 E300I290-L297 HydrophobicContact CG2-CB 4.06Å; N294-L297 HydrophobicContact CB-CD1 3.89Å; N294-L297 HydrophobicContact CB-CG 4.25Å; N294-L297 WeakPolarHBondContact O-CB 3.49Å; N294-L297 WeakPolarHBondContact O-CG 3.31Å; N294-L297 PolarHBondContact O-N 3.26Å; L295-L297 PolarHBondContact O-N 3.21Å; L297-D299 PolarHBondContact O-N 2.92Å; L297-E300 WeakPolarHBondContact CD2-OE2 3.12Å; L297-E300 PolarHBondContact O-N 3.31Å
298L90.8Very high88.4Confident1 Ų177.9 Ų77.91%0.00542%0.417CS..G310 helixtrans-57.7-29.3170.4-71.6170.4000112.1I286 I290 L295 K296 E300 L301 L311 K312I286-L298 HydrophobicContact CG2-CD2 4.25Å; I290-L298 HydrophobicContact CD1-CD2 3.26Å; I290-L298 HydrophobicContact CD1-CG 3.87Å; L295-L298 HydrophobicContact CB-CD1 4.19Å; L295-L298 HydrophobicContact CD2-CD1 4.01Å; L295-L298 WeakPolarHBondContact O-CB 3.5Å; L295-L298 WeakPolarHBondContact O-CD1 3.49Å; L295-L298 VanDerWaalsContact O-CG 3.27Å; L295-L298 WeakPolarHBondContact O-CG 3.29Å; L295-L298 PolarHBondContact O-N 3.23Å; L295-L298 VanDerWaalsContact O-N 3.16Å; K296-L298 PolarHBondContact O-N 2.71Å; L298-E300 VanDerWaalsContact C-N 3.26Å; L298-E300 PolarHBondContact O-N 3.2Å; L298-L301 HydrophobicContact CD2-CD1 3.99Å; L298-L311 HydrophobicContact CD1-CB 4.35Å; L298-L311 HydrophobicContact CD2-CB 3.83Å; L298-L311 HydrophobicContact CD2-CD1 3.72Å; L298-L311 HydrophobicContact CD2-CG 4.35Å; L298-K312 HydrophobicContact CB-CG 4.48Å; L298-K312 HydrophobicContact CD1-CG 3.87Å
299D90.6Very high88.5Confident87 Ų8774.1 Ų74.147%0.46540%0.4SS..G310 helixtrans-69.9-23.8177.2-74.1-48.8000113.4K296 L297 K308 K312K296-D299 PolarHBondContact O-N 2.93Å; L297-D299 PolarHBondContact O-N 2.92Å; D299-K308 PolarHBondContact O-NZ 3.31Å; D299-K312 WeakPolarHBondContact OD1-CE 3.19Å; D299-K312 IonicContact OD1-NZ 3.83Å; D299-K312 PolarHBondContact OD1-NZ 3.21Å; D299-K312 IonicContact OD2-NZ 3.93Å; D299-K312 PolarHBondContact OD2-NZ 3.35Å
300E93.6Very high88.6Confident147 Ų14771.8 Ų71.869%0.68738%0.378SS*.THydrogen-bonded Turntrans-88.1-12.9-176.1-61.4176.7-168.800112.5L297 L298L297-E300 WeakPolarHBondContact CD2-OE2 3.12Å; L297-E300 PolarHBondContact O-N 3.31Å; L298-E300 VanDerWaalsContact C-N 3.26Å; L298-E300 PolarHBondContact O-N 3.2Å
301L93.7Very high88.7Confident43 Ų4370.7 Ų70.723%0.22537%0.372CS..SBendtrans-59.1136.6179.5-67.1-179.7000111.5I286 I290 L298 I303 K308 L311I286-L301 HydrophobicContact CG2-CD1 4Å; I290-L301 HydrophobicContact CD1-CD1 3.98Å; I290-L301 HydrophobicContact CD1-CD2 4.31Å; I290-L301 HydrophobicContact CD1-CG 4.33Å; L298-L301 HydrophobicContact CD2-CD1 3.99Å; L301-I303 HydrophobicContact CB-CD1 4Å; L301-I303 HydrophobicContact CB-CG1 3.88Å; L301-I303 HydrophobicContact CD1-CD1 3.84Å; L301-I303 PolarHBondContact O-N 3.02Å; L301-K308 WeakPolarHBondContact O-CE 3.3Å; L301-K308 PolarHBondContact O-NZ 2.94Å; L301-L311 HydrophobicContact CD1-CD1 3.7Å
302P95Very high89.1Confident134 Ų13472.8 Ų72.887%0.8737%0.374SS*.SBendtrans-80.256.4179.334.4-36.9000111.6
303I95.1Very high89.6Confident62 Ų6271.1 Ų71.132%0.31837%0.365SS..SBendtrans-129.5164.1-178.365.3-179000111.1L301 M307 K308 L311L301-I303 HydrophobicContact CB-CD1 4Å; L301-I303 HydrophobicContact CB-CG1 3.88Å; L301-I303 HydrophobicContact CD1-CD1 3.84Å; L301-I303 PolarHBondContact O-N 3.02Å; I303-M307 HydrophobicContact CB-CB 4.41Å; I303-M307 HydrophobicContact CB-SD 4.2Å; I303-M307 HydrophobicContact CD1-CB 3.81Å; I303-M307 HydrophobicContact CG1-CB 4.17Å; I303-K308 HydrophobicContact CD1-CG 4.12Å; I303-K308 HydrophobicContact CG1-CG 3.74Å; I303-K308 VanDerWaalsContact O-CE 3.28Å; I303-K308 WeakPolarHBondContact O-CE 3.49Å; I303-L311 HydrophobicContact CD1-CD1 3.64Å
304A95.3Very high89.8Confident60 Ų6071.8 Ų71.850%0.49637%0.367SS..  trans-59.7147.9179.500000112.4V306 M307 K308A304-V306 PolarHBondContact O-N 3.43Å; A304-M307 HydrophobicContact CB-CG 4.46Å; A304-M307 WeakPolarHBondContact O-CB 3.23Å; A304-M307 PolarHBondContact O-N 3.2Å; A304-K308 PolarHBondContact O-N 2.92Å; A304-K308 VanDerWaalsContact O-N 3.12Å
305K92.8Very high89.1Confident151 Ų15174.9 Ų74.966%0.65738%0.377SS*.Hα-helixtrans-53.9-40179.1-176.5178.4179.4-179.70112.9M307 K308 D309K305-M307 VanDerWaalsContact C-N 3.29Å; K305-M307 PolarHBondContact O-N 3.37Å; K305-K308 WeakPolarHBondContact O-CB 3.48Å; K305-K308 PolarHBondContact O-N 3.41Å; K305-D309 WeakPolarHBondContact O-CB 3.46Å; K305-D309 PolarHBondContact O-N 3.17Å
306V92.2Very high88.3Confident109 Ų10975.5 Ų75.566%0.66138%0.381SS*.Hα-helixtrans-60.7-39177.9179.70000111.4A304 D309 Y310A304-V306 PolarHBondContact O-N 3.43Å; V306-D309 PolarHBondContact O-N 2.96Å; V306-Y310 WeakPolarHBondContact O-CB 3.38Å; V306-Y310 PolarHBondContact O-N 3.23Å
307M92.5Very high86.6Confident111 Ų11176.1 Ų76.155%0.54739%0.391SS..Hα-helixtrans-68.6-41.4175.9-64.4176.9169.600111.2I303 A304 K305 D309 Y310 L311I303-M307 HydrophobicContact CB-CB 4.41Å; I303-M307 HydrophobicContact CB-SD 4.2Å; I303-M307 HydrophobicContact CD1-CB 3.81Å; I303-M307 HydrophobicContact CG1-CB 4.17Å; A304-M307 HydrophobicContact CB-CG 4.46Å; A304-M307 WeakPolarHBondContact O-CB 3.23Å; A304-M307 PolarHBondContact O-N 3.2Å; K305-M307 VanDerWaalsContact C-N 3.29Å; K305-M307 PolarHBondContact O-N 3.37Å; M307-D309 PolarHBondContact O-N 3.19Å; M307-Y310 PolarHBondContact O-N 3.2Å; M307-L311 VanDerWaalsContact O-CG 3.28Å; M307-L311 WeakPolarHBondContact O-CG 3.38Å; M307-L311 PolarHBondContact O-N 2.86Å
308K93.1Very high84.6Confident42 Ų4277.3 Ų77.318%0.18340%0.397CS..Hα-helixtrans-59.9-45.6174-61-177.9-179.7-177.40111.8D299 L301 I303 A304 K305 Y310 L311 K312D299-K308 PolarHBondContact O-NZ 3.31Å; L301-K308 WeakPolarHBondContact O-CE 3.3Å; L301-K308 PolarHBondContact O-NZ 2.94Å; I303-K308 HydrophobicContact CD1-CG 4.12Å; I303-K308 HydrophobicContact CG1-CG 3.74Å; I303-K308 VanDerWaalsContact O-CE 3.28Å; I303-K308 WeakPolarHBondContact O-CE 3.49Å; A304-K308 PolarHBondContact O-N 2.92Å; A304-K308 VanDerWaalsContact O-N 3.12Å; K305-K308 WeakPolarHBondContact O-CB 3.48Å; K305-K308 PolarHBondContact O-N 3.41Å; K308-Y310 VanDerWaalsContact C-N 3.31Å; K308-Y310 PolarHBondContact O-N 2.9Å; K308-L311 PolarHBondContact O-N 3.05Å; K308-K312 WeakPolarHBondContact O-CB 2.97Å; K308-K312 VanDerWaalsContact O-CG 3.31Å; K308-K312 WeakPolarHBondContact O-CG 3.41Å; K308-K312 PolarHBondContact O-N 2.95Å
309D91.1Very high84.3Confident22 Ų2281.2 Ų81.212%0.11842%0.416CS..Hα-helixtrans-61.6-40.1177.7-76.7-13.9000111K305 V306 M307 K312 H313 K314 F315K305-D309 WeakPolarHBondContact O-CB 3.46Å; K305-D309 PolarHBondContact O-N 3.17Å; V306-D309 PolarHBondContact O-N 2.96Å; M307-D309 PolarHBondContact O-N 3.19Å; D309-K312 PolarHBondContact O-N 2.64Å; D309-H313 PolarHBondContact O-N 3.08Å; D309-K314 HydrophobicContact CB-CB 4.14Å; D309-K314 HydrophobicContact CB-CD 3.77Å; D309-K314 WeakPolarHBondContact O-CB 3.33Å; D309-K314 PolarHBondContact O-N 3.21Å; D309-K314 WeakPolarHBondContact OD1-CD 3.43Å; D309-K314 IonicContact OD1-NZ 2.66Å; D309-K314 PolarHBondContact OD1-NZ 2.74Å; D309-K314 IonicContact OD2-NZ 3.81Å; D309-K314 PolarHBondContact OD2-NZ 2.53Å; D309-F315 HydrophobicContact CB-CD2 4.46Å; D309-F315 HydrophobicContact CB-CE2 3.61Å; D309-F315 HydrophobicContact CB-CZ 4.11Å
310Y90.9Very high84Confident48 Ų4880.8 Ų80.819%0.18841%0.414CS..Hα-helixtrans-65.5-42.6173.7176.5-103000112.8Q279 D280 R283 V306 M307 K308 K312 H313Q279-Y310 HydrophobicContact CG-CD1 4.33Å; Q279-Y310 HydrophobicContact CG-CE1 3.54Å; Q279-Y310 VanDerWaalsContact NE2-CZ 3.29Å; D280-Y310 WeakPolarHBondContact CA-OH 3.32Å; D280-Y310 PolarHBondContact N-OH 2.94Å; D280-Y310 PolarHBondContact OD1-OH 3.01Å; R283-Y310 HydrophobicContact CB-CD1 4.36Å; R283-Y310 HydrophobicContact CB-CE1 3.7Å; R283-Y310 WeakPolarHBondContact CD-O 3.49Å; R283-Y310 HydrophobicContact CG-CE1 4.26Å; R283-Y310 PolarHBondContact NH1-OH 2.95Å; V306-Y310 WeakPolarHBondContact O-CB 3.38Å; V306-Y310 PolarHBondContact O-N 3.23Å; M307-Y310 PolarHBondContact O-N 3.2Å; K308-Y310 VanDerWaalsContact C-N 3.31Å; K308-Y310 PolarHBondContact O-N 2.9Å; Y310-K312 PolarHBondContact O-N 2.7Å; Y310-H313 PolarHBondContact O-N 3.47Å; Y310-H313 VanDerWaalsContact O-N 3.14Å
311L91Very high83.4Confident6 Ų677.2 Ų77.23%0.03140%0.398CS..Hα-helixtrans-63.3-26175.3-66.8174.8000113R283 I286 R287 L298 L301 I303 M307 K308R283-L311 HydrophobicContact CB-CD2 3.94Å; R283-L311 HydrophobicContact CG-CD2 3.92Å; I286-L311 HydrophobicContact CB-CD2 4.07Å; I286-L311 HydrophobicContact CD1-CD1 4.44Å; I286-L311 HydrophobicContact CD1-CD2 3.98Å; I286-L311 HydrophobicContact CG2-CD1 3.83Å; I286-L311 HydrophobicContact CG2-CD2 4.08Å; R287-L311 WeakPolarHBondContact CD-O 3.49Å; R287-L311 PolarHBondContact NH1-O 3.22Å; L298-L311 HydrophobicContact CD1-CB 4.35Å; L298-L311 HydrophobicContact CD2-CB 3.83Å; L298-L311 HydrophobicContact CD2-CD1 3.72Å; L298-L311 HydrophobicContact CD2-CG 4.35Å; L301-L311 HydrophobicContact CD1-CD1 3.7Å; I303-L311 HydrophobicContact CD1-CD1 3.64Å; M307-L311 VanDerWaalsContact O-CG 3.28Å; M307-L311 WeakPolarHBondContact O-CG 3.38Å; M307-L311 PolarHBondContact O-N 2.86Å; K308-L311 PolarHBondContact O-N 3.05Å
312K88.2Confident82.8Confident69 Ų6979.2 Ų79.230%0.341%0.409SS..THydrogen-bonded Turntrans-89.5-1.2178.5-72.8177.1168.7-165.40114L298 D299 K308 D309 Y310 K314L298-K312 HydrophobicContact CB-CG 4.48Å; L298-K312 HydrophobicContact CD1-CG 3.87Å; D299-K312 WeakPolarHBondContact OD1-CE 3.19Å; D299-K312 IonicContact OD1-NZ 3.83Å; D299-K312 PolarHBondContact OD1-NZ 3.21Å; D299-K312 IonicContact OD2-NZ 3.93Å; D299-K312 PolarHBondContact OD2-NZ 3.35Å; K308-K312 WeakPolarHBondContact O-CB 2.97Å; K308-K312 VanDerWaalsContact O-CG 3.31Å; K308-K312 WeakPolarHBondContact O-CG 3.41Å; K308-K312 PolarHBondContact O-N 2.95Å; D309-K312 PolarHBondContact O-N 2.64Å; Y310-K312 PolarHBondContact O-N 2.7Å; K312-K314 PolarHBondContact O-N 2.73Å
313H84.4Confident82.1Confident5 Ų575.8 Ų75.82%0.02338%0.38CS..THydrogen-bonded Turntrans55.134-174-63.4-91.2000112.7N235 Y236 R283 D309 Y310 F315 D316N235-H313 PolarHBondContact O-CE1 3.12Å; Y236-H313 AromaticContact CD1-CD2 3.95Å; Y236-H313 AromaticContact CD1-NE2 3.73Å; Y236-H313 HydrophobicContact CE1-CB 4.46Å; Y236-H313 AromaticContact CE1-CD2 3.39Å; Y236-H313 WeakPolarHBondContact CE1-CD2 3.46Å; Y236-H313 AromaticContact CE1-CG 3.87Å; Y236-H313 AromaticContact CE1-NE2 3.67Å; Y236-H313 AromaticContact CE2-ND1 3.97Å; Y236-H313 AromaticContact CZ-CD2 3.62Å; Y236-H313 AromaticContact CZ-CG 3.57Å; Y236-H313 AromaticContact CZ-ND1 3.93Å; Y236-H313 VanDerWaalsContact OH-CB 3.29Å; Y236-H313 WeakPolarHBondContact OH-CB 3.09Å; R283-H313 VanDerWaalsContact CZ-CE1 3.43Å; R283-H313 PolarHBondContact NE-CE1 3.05Å; D309-H313 PolarHBondContact O-N 3.08Å; Y310-H313 PolarHBondContact O-N 3.47Å; Y310-H313 VanDerWaalsContact O-N 3.14Å; H313-F315 PolarHBondContact O-N 3.16Å; H313-D316 HydrophobicContact CB-CB 4.16Å; H313-D316 IonicContact CE1-OD2 2.58Å; H313-D316 IonicContact CG-OD2 2.72Å; H313-D316 IonicContact ND1-OD2 3.19Å; H313-D316 PolarHBondContact ND1-OD2 3.34Å; H313-D316 PolarHBondContact O-N 3.39Å
314K73.5Confident81.2Confident113 Ų11376.7 Ų76.749%0.49138%0.384SS..THydrogen-bonded Turntrans-63.2-25.7-173.9-175.3-177.8176.4-1770113.7D309 K312D309-K314 HydrophobicContact CB-CB 4.14Å; D309-K314 HydrophobicContact CB-CD 3.77Å; D309-K314 WeakPolarHBondContact O-CB 3.33Å; D309-K314 PolarHBondContact O-N 3.21Å; D309-K314 WeakPolarHBondContact OD1-CD 3.43Å; D309-K314 IonicContact OD1-NZ 2.66Å; D309-K314 PolarHBondContact OD1-NZ 2.74Å; D309-K314 IonicContact OD2-NZ 3.81Å; D309-K314 PolarHBondContact OD2-NZ 2.53Å; K312-K314 PolarHBondContact O-N 2.73Å
315F67.4Low80.2Confident135 Ų13577.9 Ų77.959%0.59238%0.376SS*.THydrogen-bonded Turntrans-1063.3-177.3-54.2-66.8000113.1D309 H313 D317D309-F315 HydrophobicContact CB-CD2 4.46Å; D309-F315 HydrophobicContact CB-CE2 3.61Å; D309-F315 HydrophobicContact CB-CZ 4.11Å; H313-F315 PolarHBondContact O-N 3.16Å; F315-D317 PolarHBondContact O-N 3.34Å; F315-D317 VanDerWaalsContact O-N 3.16Å
316D68.3Low79.2Confident37 Ų3772.2 Ų72.220%0.19835%0.354CS..  trans-88.585.7-179-66.70.8000108.9R197 H313 I318R197-D316 PolarHBondContact NH1-O 3.22Å; H313-D316 HydrophobicContact CB-CB 4.16Å; H313-D316 IonicContact CE1-OD2 2.58Å; H313-D316 IonicContact CG-OD2 2.72Å; H313-D316 IonicContact ND1-OD2 3.19Å; H313-D316 PolarHBondContact ND1-OD2 3.34Å; H313-D316 PolarHBondContact O-N 3.39Å; D316-I318 PolarHBondContact O-N 3.23Å
317D50.3Low78.2Confident156 Ų15669.2 Ų69.283%0.83433%0.329SS*.  trans-75.311.9170.9-74.3-30.6000112.9F315F315-D317 PolarHBondContact O-N 3.34Å; F315-D317 VanDerWaalsContact O-N 3.16Å
318I47.2Very low76.9Confident86 Ų8665.4 Ų65.444%0.44131%0.309SS..  trans-74.30-175-53.8165.9000111R197 R231 M232 N235 D316R197-I318 PolarHBondContact NH1-O 3.23Å; R197-I318 PolarHBondContact NH2-O 3.21Å; R197-I318 PolarHBondContact NH2-OXT 3.18Å; R231-I318 HydrophobicContact CB-CG2 4.21Å; M232-I318 WeakPolarHBondContact CG-O 3.4Å; N235-I318 WeakPolarHBondContact ND2-CD1 3.46Å; D316-I318 PolarHBondContact O-N 3.23Å

Retrieved 318 of 318 residues in 1391.2 ms (Link to these results)

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