1433F_RAT Loading...

14-3-3 protein eta

Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif. Binding generally results in the modulation of the activity of the binding partner. Negatively regulates the kinase activity of PDPK1 (By similarity).

AlphaFold DB , UniProt , Accession P68511, Species RAT (Rattus norvegicus, Rat), Gene Ywhah, Length 246 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
1M56Low90.9Very high170 Ų17073.9 Ų73.984%0.83737%0.37SS*.  0125.40-72.1166.9171.200107.4Q6M1-Q6 HydrophobicContact CB-CG 3.89Å; M1-Q6 PolarHBondContact O-NE2 3.11Å; M1-Q6 VanDerWaalsContact O-NE2 3.07Å
2G76.3Confident91.5Very high53 Ų5372.8 Ų72.855%0.54636%0.358SS..  trans-64.2161173.700000111.2R4 E5 Q6G2-R4 VanDerWaalsContact C-N 3.31Å; G2-R4 PolarHBondContact O-N 3.07Å; G2-E5 PolarHBondContact O-N 3.29Å; G2-E5 VanDerWaalsContact O-N 3.16Å; G2-Q6 PolarHBondContact O-N 3.16Å
3D89.6Confident92Very high103 Ų10374.8 Ų74.855%0.55137%0.37SS*.Hα-helixtrans-55.4-44.1-176.8-168.732.3000112.1E5 Q6 L7D3-E5 PolarHBondContact O-N 2.94Å; D3-Q6 PolarHBondContact O-N 3.44Å; D3-L7 WeakPolarHBondContact O-CG 3.45Å; D3-L7 PolarHBondContact O-N 3.36Å; D3-L7 VanDerWaalsContact O-N 3.11Å
4R95.4Very high92.5Very high43 Ų4370.1 Ų70.116%0.16235%0.349CS..Hα-helixtrans-54.2-47.5174.8-174.6178177.8123.70.6113.7G2 Q6 L7 L8 V30 L33 E35 P36 D41G2-R4 VanDerWaalsContact C-N 3.31Å; G2-R4 PolarHBondContact O-N 3.07Å; R4-Q6 VanDerWaalsContact C-N 3.32Å; R4-Q6 PolarHBondContact O-N 3.44Å; R4-L7 PolarHBondContact O-N 2.93Å; R4-L8 HydrophobicContact CG-CD1 4.1Å; R4-L8 HydrophobicContact CG-CG 4.45Å; R4-L8 WeakPolarHBondContact O-CG 3.41Å; R4-L8 PolarHBondContact O-N 3.34Å; R4-V30 HydrophobicContact CG-CG1 4.3Å; R4-L33 HydrophobicContact CB-CD1 3.63Å; R4-L33 HydrophobicContact CG-CD1 4.05Å; R4-E35 VanDerWaalsContact CD-OE2 3.24Å; R4-E35 WeakPolarHBondContact CD-OE2 3.32Å; R4-E35 IonicContact CZ-OE2 3.52Å; R4-E35 IonicContact NE-OE2 2.94Å; R4-E35 PolarHBondContact NH1-O 2.94Å; R4-E35 IonicContact NH1-OE2 2.73Å; R4-E35 PolarHBondContact NH1-OE2 3.44Å; R4-P36 PolarHBondContact NH2-O 3.23Å; R4-P36 VanDerWaalsContact NH2-O 3.08Å; R4-D41 IonicContact CZ-OD2 3.82Å; R4-D41 IonicContact NE-OD2 3.74Å; R4-D41 IonicContact NH2-OD2 2.82Å; R4-D41 PolarHBondContact NH2-OD2 3.23Å
5E96.1Very high92.9Very high87 Ų8770.1 Ų70.141%0.40735%0.347SS..Hα-helixtrans-67.2-35.7-176.5-172.256.8-141.300111.4G2 D3 L7 L8 Q9 R12G2-E5 PolarHBondContact O-N 3.29Å; G2-E5 VanDerWaalsContact O-N 3.16Å; D3-E5 PolarHBondContact O-N 2.94Å; E5-L7 VanDerWaalsContact C-N 3.34Å; E5-L8 PolarHBondContact O-N 3.44Å; E5-Q9 WeakPolarHBondContact O-CB 3.49Å; E5-Q9 PolarHBondContact O-N 3.24Å; E5-R12 IonicContact OE1-NH1 3.46Å; E5-R12 PolarHBondContact OE1-NH1 2.88Å
6Q96.5Very high93.2Very high104 Ų10475.4 Ų75.449%0.48637%0.371SS..Hα-helixtrans-65.3-40.1175.2-62.8-179.629.900111.3M1 G2 D3 R4 R10M1-Q6 HydrophobicContact CB-CG 3.89Å; M1-Q6 PolarHBondContact O-NE2 3.11Å; M1-Q6 VanDerWaalsContact O-NE2 3.07Å; G2-Q6 PolarHBondContact O-N 3.16Å; D3-Q6 PolarHBondContact O-N 3.44Å; R4-Q6 VanDerWaalsContact C-N 3.32Å; R4-Q6 PolarHBondContact O-N 3.44Å; Q6-R10 WeakPolarHBondContact O-CB 3.42Å; Q6-R10 PolarHBondContact O-N 3.24Å
7L97.7Very high93.5Very high25 Ų2574.8 Ų74.813%0.13138%0.38CS..Hα-helixtrans-66.5-43.4175.8-66.4168.9000112.1D3 R4 E5 R10 A11 A29 V30 L33D3-L7 WeakPolarHBondContact O-CG 3.45Å; D3-L7 PolarHBondContact O-N 3.36Å; D3-L7 VanDerWaalsContact O-N 3.11Å; R4-L7 PolarHBondContact O-N 2.93Å; E5-L7 VanDerWaalsContact C-N 3.34Å; L7-R10 WeakPolarHBondContact O-CB 3.38Å; L7-R10 PolarHBondContact O-N 3.33Å; L7-A11 PolarHBondContact O-N 3.08Å; L7-A29 HydrophobicContact CD1-CB 3.76Å; L7-A29 HydrophobicContact CD2-CB 3.93Å; L7-A29 HydrophobicContact CG-CB 4.47Å; L7-V30 HydrophobicContact CB-CG2 3.42Å; L7-V30 VanDerWaalsContact CB-CG2 3.42Å; L7-V30 HydrophobicContact CD1-CG2 4.17Å; L7-V30 HydrophobicContact CG-CG2 4.44Å; L7-L33 HydrophobicContact CD1-CD1 4.31Å
8L98.1Very high93.7Very high5 Ų578.4 Ų78.43%0.02640%0.396CS..Hα-helixtrans-63.1-43.3175-72.1173.2000111.7R4 E5 R10 A11 R12 M27 V30 D41 L44R4-L8 HydrophobicContact CG-CD1 4.1Å; R4-L8 HydrophobicContact CG-CG 4.45Å; R4-L8 WeakPolarHBondContact O-CG 3.41Å; R4-L8 PolarHBondContact O-N 3.34Å; E5-L8 PolarHBondContact O-N 3.44Å; L8-R10 VanDerWaalsContact C-N 3.31Å; L8-R10 PolarHBondContact O-N 3.3Å; L8-A11 PolarHBondContact O-N 3.42Å; L8-R12 WeakPolarHBondContact O-CG 3.24Å; L8-R12 PolarHBondContact O-N 3.31Å; L8-M27 HydrophobicContact CD2-CE 4.18Å; L8-M27 HydrophobicContact CD2-SD 4.01Å; L8-V30 HydrophobicContact CD2-CG1 4.06Å; L8-V30 HydrophobicContact CD2-CG2 4.03Å; L8-V30 HydrophobicContact CG-CG1 4.44Å; L8-V30 HydrophobicContact CG-CG2 4.1Å; L8-D41 HydrophobicContact CD2-CB 4.18Å; L8-D41 WeakPolarHBondContact CD2-OD1 3.32Å; L8-L44 HydrophobicContact CD2-CD1 4.43Å
9Q97.7Very high94Very high87 Ų8781.5 Ų81.541%0.40740%0.402SS..Hα-helixtrans-60.1-42.3174.2-172.5179.815.200111.5E5 R12 L13E5-Q9 WeakPolarHBondContact O-CB 3.49Å; E5-Q9 PolarHBondContact O-N 3.24Å; Q9-R12 PolarHBondContact O-N 3.42Å; Q9-L13 HydrophobicContact CG-CD1 4.34Å; Q9-L13 WeakPolarHBondContact O-CG 3.45Å; Q9-L13 PolarHBondContact O-N 2.78Å
10R97.9Very high94.2Very high136 Ų13680.2 Ų80.251%0.51339%0.393SS..Hα-helixtrans-62.2-42.6175-178.4178.6176.3-178.2-1.8111.8Q6 L7 L8 L13 A14 A26Q6-R10 WeakPolarHBondContact O-CB 3.42Å; Q6-R10 PolarHBondContact O-N 3.24Å; L7-R10 WeakPolarHBondContact O-CB 3.38Å; L7-R10 PolarHBondContact O-N 3.33Å; L8-R10 VanDerWaalsContact C-N 3.31Å; L8-R10 PolarHBondContact O-N 3.3Å; R10-L13 PolarHBondContact O-N 3.43Å; R10-A14 WeakPolarHBondContact O-CB 3.37Å; R10-A14 PolarHBondContact O-N 2.89Å; R10-A26 HydrophobicContact CB-CB 4.42Å; R10-A26 HydrophobicContact CG-CB 4.28Å
11A98.4Very high94.4Very high0 Ų079.9 Ų79.90%039%0.393CS..Hα-helixtrans-61.2-45.6176.700000111.5L7 L8 L13 A14 E15 M23 A26 M27L7-A11 PolarHBondContact O-N 3.08Å; L8-A11 PolarHBondContact O-N 3.42Å; A11-L13 PolarHBondContact O-N 3.08Å; A11-A14 PolarHBondContact O-N 3.42Å; A11-E15 PolarHBondContact O-N 3.25Å; A11-M23 HydrophobicContact CB-CG 4.18Å; A11-A26 HydrophobicContact CB-CB 4.02Å; A11-M27 HydrophobicContact CB-CG 3.89Å; A11-M27 HydrophobicContact CB-SD 3.6Å; A11-M27 VanDerWaalsContact CB-SD 3.6Å
12R98.3Very high96.4Very high61 Ų6174 Ų7423%0.2337%0.365CS..Hα-helixtrans-63.2-40.2176.6-67178.6-173.3114.5-3.5112.8E5 L8 Q9 E15 Q16 E40 L44E5-R12 IonicContact OE1-NH1 3.46Å; E5-R12 PolarHBondContact OE1-NH1 2.88Å; L8-R12 WeakPolarHBondContact O-CG 3.24Å; L8-R12 PolarHBondContact O-N 3.31Å; Q9-R12 PolarHBondContact O-N 3.42Å; R12-E15 PolarHBondContact O-N 3.17Å; R12-Q16 WeakPolarHBondContact O-CG 3.46Å; R12-Q16 PolarHBondContact O-N 3.08Å; R12-Q16 VanDerWaalsContact O-N 3.12Å; R12-E40 IonicContact CZ-OE1 3.44Å; R12-E40 IonicContact NE-OE1 3.41Å; R12-E40 PolarHBondContact NE-OE1 3.33Å; R12-E40 VanDerWaalsContact NE-OE1 3.15Å; R12-E40 IonicContact NH2-OE1 3.84Å; R12-E40 PolarHBondContact NH2-OE1 2.79Å; R12-E40 IonicContact NH2-OE2 3.88Å; R12-L44 HydrophobicContact CG-CD1 3.97Å; R12-L44 HydrophobicContact CG-CD2 4.33Å
13L98.4Very high97.4Very high99 Ų9971.5 Ų71.552%0.51834%0.339SS..Hα-helixtrans-66-39.6174.3-72.7171.8000111.9Q9 R10 A11 Q16 A17Q9-L13 HydrophobicContact CG-CD1 4.34Å; Q9-L13 WeakPolarHBondContact O-CG 3.45Å; Q9-L13 PolarHBondContact O-N 2.78Å; R10-L13 PolarHBondContact O-N 3.43Å; A11-L13 PolarHBondContact O-N 3.08Å; L13-Q16 PolarHBondContact O-N 3.02Å; L13-A17 WeakPolarHBondContact O-CB 3.46Å; L13-A17 PolarHBondContact O-N 3.21Å; L13-A17 VanDerWaalsContact O-N 3.12Å
14A98.5Very high97.9Very high8 Ų866.9 Ų66.97%0.06632%0.315CS..Hα-helixtrans-66-38.6176.300000111.8R10 A11 A17 E18 R19 D22 M23R10-A14 WeakPolarHBondContact O-CB 3.37Å; R10-A14 PolarHBondContact O-N 2.89Å; A11-A14 PolarHBondContact O-N 3.42Å; A14-A17 CarbonylContact O-C 3.59Å; A14-A17 PolarHBondContact O-N 3.38Å; A14-E18 PolarHBondContact O-N 3.15Å; A14-R19 HydrophobicContact CB-CB 4.19Å; A14-R19 PolarHBondContact O-N 3.41Å; A14-D22 HydrophobicContact CB-CB 4Å; A14-M23 HydrophobicContact CB-CB 3.9Å
15E98.2Very high98Very high70 Ų7068.3 Ų68.333%0.32733%0.332SS..Hα-helixtrans-59.2-50.3172.8-176.7-179.4-15100111.5A11 R12 A17 E18 M23 L44A11-E15 PolarHBondContact O-N 3.25Å; R12-E15 PolarHBondContact O-N 3.17Å; E15-A17 PolarHBondContact O-N 2.96Å; E15-E18 PolarHBondContact O-N 2.88Å; E15-M23 HydrophobicContact CB-CE 3.95Å; E15-M23 HydrophobicContact CB-SD 3.9Å; E15-M23 HydrophobicContact CG-CE 4.16Å; E15-M23 HydrophobicContact CG-SD 4.32Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.45Å
16Q97.9Very high98.1Very high156 Ų15664.2 Ų64.273%0.72931%0.313SS*.Hα-helixtrans-61.3-27.6178-70.1175.231.100113.2R12 L13R12-Q16 WeakPolarHBondContact O-CG 3.46Å; R12-Q16 PolarHBondContact O-N 3.08Å; R12-Q16 VanDerWaalsContact O-N 3.12Å; L13-Q16 PolarHBondContact O-N 3.02Å
17A98Very high98.2Very high64 Ų6459.2 Ų59.253%0.52929%0.29SS..THydrogen-bonded Turntrans-93.24.3176.300000113.5L13 A14 E15 R19L13-A17 WeakPolarHBondContact O-CB 3.46Å; L13-A17 PolarHBondContact O-N 3.21Å; L13-A17 VanDerWaalsContact O-N 3.12Å; A14-A17 CarbonylContact O-C 3.59Å; A14-A17 PolarHBondContact O-N 3.38Å; E15-A17 PolarHBondContact O-N 2.96Å; A17-R19 HydrophobicContact CB-CB 4.46Å; A17-R19 HydrophobicContact CB-CG 3.91Å; A17-R19 PolarHBondContact O-N 2.8Å; A17-R19 VanDerWaalsContact O-N 3.12Å
18E97.8Very high98.3Very high141 Ų14160.6 Ų60.666%0.65929%0.294SS*.THydrogen-bonded Turntrans53.628.2-174.7-56.4-173.4161.500113.7A14 E15 Y20A14-E18 PolarHBondContact O-N 3.15Å; E15-E18 PolarHBondContact O-N 2.88Å; E18-Y20 VanDerWaalsContact C-N 3.32Å; E18-Y20 HydrophobicContact CB-CE2 3.89Å; E18-Y20 HydrophobicContact CG-CE2 4.48Å; E18-Y20 WeakPolarHBondContact O-CD2 3.47Å; E18-Y20 PolarHBondContact O-N 2.95Å
19R98.4Very high98.3Very high136 Ų13661.9 Ų61.951%0.51331%0.306SS..  trans-89.963178.8-71.9-73.1-56.61739.9110.3A14 A17 D21 D22 M23A14-R19 HydrophobicContact CB-CB 4.19Å; A14-R19 PolarHBondContact O-N 3.41Å; A17-R19 HydrophobicContact CB-CB 4.46Å; A17-R19 HydrophobicContact CB-CG 3.91Å; A17-R19 PolarHBondContact O-N 2.8Å; A17-R19 VanDerWaalsContact O-N 3.12Å; R19-D21 VanDerWaalsContact C-N 3.3Å; R19-D21 PolarHBondContact O-N 3.19Å; R19-D22 HydrophobicContact CB-CB 4.22Å; R19-D22 IonicContact CZ-OD2 3.75Å; R19-D22 IonicContact NE-OD2 3.69Å; R19-D22 PolarHBondContact NE-OD2 3.42Å; R19-D22 VanDerWaalsContact NH2-CG 3.3Å; R19-D22 IonicContact NH2-OD1 4Å; R19-D22 PolarHBondContact NH2-OD1 3.33Å; R19-D22 VanDerWaalsContact NH2-OD1 3.12Å; R19-D22 IonicContact NH2-OD2 2.89Å; R19-D22 PolarHBondContact NH2-OD2 3.23Å; R19-D22 WeakPolarHBondContact O-CB 3.45Å; R19-D22 PolarHBondContact O-N 3.44Å; R19-M23 PolarHBondContact O-N 2.96Å
20Y98.5Very high98.3Very high55 Ų5557.7 Ų57.722%0.21629%0.286CS..Hα-helixtrans-63.6-28.1-169.3-57.8-70.1000115E18 M23 A24 V47 N51 V52E18-Y20 VanDerWaalsContact C-N 3.32Å; E18-Y20 HydrophobicContact CB-CE2 3.89Å; E18-Y20 HydrophobicContact CG-CE2 4.48Å; E18-Y20 WeakPolarHBondContact O-CD2 3.47Å; E18-Y20 PolarHBondContact O-N 2.95Å; Y20-M23 HydrophobicContact CD1-SD 4.07Å; Y20-M23 WeakPolarHBondContact O-CB 3.17Å; Y20-M23 PolarHBondContact O-N 2.94Å; Y20-A24 WeakPolarHBondContact O-CB 3.39Å; Y20-A24 PolarHBondContact O-N 3.41Å; Y20-V47 HydrophobicContact CE1-CG1 4.38Å; Y20-N51 HydrophobicContact CD1-CB 3.51Å; Y20-N51 HydrophobicContact CD2-CB 3.48Å; Y20-N51 VanDerWaalsContact CD2-CB 3.48Å; Y20-N51 HydrophobicContact CE1-CB 3.85Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.44Å; Y20-N51 HydrophobicContact CE2-CB 3.82Å; Y20-N51 HydrophobicContact CG-CB 3.3Å; Y20-V52 VanDerWaalsContact O-CG2 3.28Å; Y20-V52 WeakPolarHBondContact O-CG2 3.47Å
21D98.3Very high98.3Very high74 Ų7451.3 Ų51.340%0.39626%0.262SS..Hα-helixtrans-65.9-37.4172.5-66.8-79.5000112.2R19 S25 R56R19-D21 VanDerWaalsContact C-N 3.3Å; R19-D21 PolarHBondContact O-N 3.19Å; D21-S25 WeakPolarHBondContact O-CB 3.22Å; D21-S25 PolarHBondContact O-N 2.88Å; D21-S25 PolarHBondContact O-OG 3.45Å; D21-R56 IonicContact OD1-CZ 3.19Å; D21-R56 IonicContact OD1-NH1 2.69Å; D21-R56 PolarHBondContact OD1-NH1 3.34Å; D21-R56 IonicContact OD1-NH2 3.79Å; D21-R56 PolarHBondContact OD1-NH2 3.03Å; D21-R56 IonicContact OD2-NH2 2.64Å
22D98.4Very high98.2Very high47 Ų4755.8 Ų55.825%0.25128%0.283SS..Hα-helixtrans-70.7-37.8174.8-61-29.2000110.5A14 R19 S25 A26A14-D22 HydrophobicContact CB-CB 4Å; R19-D22 HydrophobicContact CB-CB 4.22Å; R19-D22 IonicContact CZ-OD2 3.75Å; R19-D22 IonicContact NE-OD2 3.69Å; R19-D22 PolarHBondContact NE-OD2 3.42Å; R19-D22 VanDerWaalsContact NH2-CG 3.3Å; R19-D22 IonicContact NH2-OD1 4Å; R19-D22 PolarHBondContact NH2-OD1 3.33Å; R19-D22 VanDerWaalsContact NH2-OD1 3.12Å; R19-D22 IonicContact NH2-OD2 2.89Å; R19-D22 PolarHBondContact NH2-OD2 3.23Å; R19-D22 WeakPolarHBondContact O-CB 3.45Å; R19-D22 PolarHBondContact O-N 3.44Å; D22-S25 PolarHBondContact O-N 3.3Å; D22-A26 WeakPolarHBondContact O-CB 3.39Å; D22-A26 PolarHBondContact O-N 2.82Å
23M98.3Very high98.2Very high0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-61.2-46.9174.2-165.8-168.9178.600111A11 A14 E15 R19 Y20 S25 A26 M27 L44 V47 A48A11-M23 HydrophobicContact CB-CG 4.18Å; A14-M23 HydrophobicContact CB-CB 3.9Å; E15-M23 HydrophobicContact CB-CE 3.95Å; E15-M23 HydrophobicContact CB-SD 3.9Å; E15-M23 HydrophobicContact CG-CE 4.16Å; E15-M23 HydrophobicContact CG-SD 4.32Å; R19-M23 PolarHBondContact O-N 2.96Å; Y20-M23 HydrophobicContact CD1-SD 4.07Å; Y20-M23 WeakPolarHBondContact O-CB 3.17Å; Y20-M23 PolarHBondContact O-N 2.94Å; M23-S25 PolarHBondContact O-N 3.15Å; M23-A26 PolarHBondContact O-N 2.78Å; M23-M27 WeakPolarHBondContact O-CB 3.42Å; M23-M27 WeakPolarHBondContact O-CG 3.35Å; M23-M27 PolarHBondContact O-N 3.41Å; M23-L44 HydrophobicContact CE-CB 3.96Å; M23-L44 HydrophobicContact CE-CD2 3.57Å; M23-L44 HydrophobicContact CE-CG 4.4Å; M23-L44 WeakPolarHBondContact CE-O 3.12Å; M23-V47 HydrophobicContact CE-CB 4.08Å; M23-V47 HydrophobicContact CE-CG1 4Å; M23-V47 HydrophobicContact SD-CG1 4.24Å; M23-A48 HydrophobicContact CB-CB 3.97Å; M23-A48 HydrophobicContact CE-CB 4.14Å; M23-A48 HydrophobicContact CG-CB 3.6Å; M23-A48 VanDerWaalsContact SD-CA 3.55Å; M23-A48 HydrophobicContact SD-CB 3.58Å; M23-A48 VanDerWaalsContact SD-CB 3.58Å
24A98.6Very high98Very high7 Ų755.3 Ų55.36%0.05829%0.285CS..Hα-helixtrans-64.3-40.917800000111.4Y20 M27 K28 A48 Y49 V52Y20-A24 WeakPolarHBondContact O-CB 3.39Å; Y20-A24 PolarHBondContact O-N 3.41Å; A24-M27 PolarHBondContact O-N 3.26Å; A24-K28 VanDerWaalsContact O-CB 3.22Å; A24-K28 WeakPolarHBondContact O-CB 3.24Å; A24-K28 PolarHBondContact O-N 3.28Å; A24-A48 HydrophobicContact CB-CB 4.19Å; A24-Y49 HydrophobicContact CB-CD1 4.43Å; A24-Y49 HydrophobicContact CB-CD2 4.3Å; A24-Y49 HydrophobicContact CB-CE1 4.27Å; A24-Y49 HydrophobicContact CB-CE2 4.12Å; A24-Y49 HydrophobicContact CB-CG 4.46Å; A24-V52 HydrophobicContact CB-CG2 4.09Å
25S98.4Very high97.7Very high72 Ų7259.9 Ų59.950%0.50331%0.306SS..Hα-helixtrans-62.5-43175.9-59.60000112.2D21 D22 M23 A29D21-S25 WeakPolarHBondContact O-CB 3.22Å; D21-S25 PolarHBondContact O-N 2.88Å; D21-S25 PolarHBondContact O-OG 3.45Å; D22-S25 PolarHBondContact O-N 3.3Å; M23-S25 PolarHBondContact O-N 3.15Å; S25-A29 PolarHBondContact O-N 3.38Å
26A98.3Very high97.5Very high1 Ų161.3 Ų61.31%0.00832%0.321CS..Hα-helixtrans-66.9-46176.400000111.6R10 A11 D22 M23 K28 A29 V30R10-A26 HydrophobicContact CB-CB 4.42Å; R10-A26 HydrophobicContact CG-CB 4.28Å; A11-A26 HydrophobicContact CB-CB 4.02Å; D22-A26 WeakPolarHBondContact O-CB 3.39Å; D22-A26 PolarHBondContact O-N 2.82Å; M23-A26 PolarHBondContact O-N 2.78Å; A26-K28 VanDerWaalsContact C-N 3.33Å; A26-K28 PolarHBondContact O-N 2.96Å; A26-A29 WeakPolarHBondContact O-CB 3.19Å; A26-A29 PolarHBondContact O-N 3.45Å; A26-V30 WeakPolarHBondContact O-CG2 3.28Å; A26-V30 PolarHBondContact O-N 2.88Å
27M98.5Very high97.4Very high0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-68.7-29.9179.7-69.5-52-54.900113.2L8 A11 M23 A24 V30 T31 D41 L44 L45L8-M27 HydrophobicContact CD2-CE 4.18Å; L8-M27 HydrophobicContact CD2-SD 4.01Å; A11-M27 HydrophobicContact CB-CG 3.89Å; A11-M27 HydrophobicContact CB-SD 3.6Å; A11-M27 VanDerWaalsContact CB-SD 3.6Å; M23-M27 WeakPolarHBondContact O-CB 3.42Å; M23-M27 WeakPolarHBondContact O-CG 3.35Å; M23-M27 PolarHBondContact O-N 3.41Å; A24-M27 PolarHBondContact O-N 3.26Å; M27-V30 HydrophobicContact CE-CB 4.38Å; M27-V30 HydrophobicContact CE-CG1 4.35Å; M27-V30 PolarHBondContact O-N 3.17Å; M27-V30 HydrophobicContact SD-CG2 4.46Å; M27-T31 WeakPolarHBondContact O-CB 3.3Å; M27-T31 PolarHBondContact O-N 3.18Å; M27-T31 PolarHBondContact O-OG1 3.2Å; M27-D41 HydrophobicContact CE-CB 4.47Å; M27-D41 WeakPolarHBondContact CE-O 3.42Å; M27-L44 HydrophobicContact CE-CB 4.1Å; M27-L44 HydrophobicContact CG-CB 4.39Å; M27-L44 HydrophobicContact SD-CB 3.89Å; M27-L45 HydrophobicContact CB-CB 4.42Å; M27-L45 HydrophobicContact CB-CD1 3.74Å; M27-L45 HydrophobicContact CE-CB 4.01Å
28K98.5Very high97.3Very high53 Ų5354 Ų5423%0.2328%0.282CS..Hα-helixtrans-58.7-52168.1178.4165.7-174.2175.40110.6A24 A26 V30 T31 E32 D99 L103A24-K28 VanDerWaalsContact O-CB 3.22Å; A24-K28 WeakPolarHBondContact O-CB 3.24Å; A24-K28 PolarHBondContact O-N 3.28Å; A26-K28 VanDerWaalsContact C-N 3.33Å; A26-K28 PolarHBondContact O-N 2.96Å; K28-V30 PolarHBondContact O-N 3.03Å; K28-T31 PolarHBondContact O-N 2.98Å; K28-T31 VanDerWaalsContact O-N 3.15Å; K28-E32 VanDerWaalsContact CE-OE1 3.28Å; K28-E32 WeakPolarHBondContact CE-OE1 3.26Å; K28-E32 WeakPolarHBondContact O-CG 3.2Å; K28-E32 PolarHBondContact O-N 3.49Å; K28-D99 VanDerWaalsContact NZ-CG 3.25Å; K28-D99 IonicContact NZ-OD1 3.59Å; K28-D99 PolarHBondContact NZ-OD1 3.12Å; K28-D99 IonicContact NZ-OD2 2.66Å; K28-D99 PolarHBondContact NZ-OD2 2.66Å; K28-L103 HydrophobicContact CB-CD1 4.03Å; K28-L103 HydrophobicContact CG-CD1 4.01Å; K28-L103 HydrophobicContact CG-CD2 4.14Å
29A98.1Very high97.1Very high32 Ų3251.3 Ų51.326%0.26427%0.272SS..Hα-helixtrans-60.1-42.7177.400000112.3L7 S25 A26 T31 E32 L33L7-A29 HydrophobicContact CD1-CB 3.76Å; L7-A29 HydrophobicContact CD2-CB 3.93Å; L7-A29 HydrophobicContact CG-CB 4.47Å; S25-A29 PolarHBondContact O-N 3.38Å; A26-A29 WeakPolarHBondContact O-CB 3.19Å; A26-A29 PolarHBondContact O-N 3.45Å; A29-T31 VanDerWaalsContact C-N 3.33Å; A29-T31 PolarHBondContact O-N 3.49Å; A29-E32 PolarHBondContact O-N 2.79Å; A29-L33 WeakPolarHBondContact O-CG 3.4Å; A29-L33 PolarHBondContact O-N 3.34Å
30V98.3Very high97Very high0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-58.2-45174.5173.50000111.5R4 L7 L8 A26 M27 K28 E32 L33 L37R4-V30 HydrophobicContact CG-CG1 4.3Å; L7-V30 HydrophobicContact CB-CG2 3.42Å; L7-V30 VanDerWaalsContact CB-CG2 3.42Å; L7-V30 HydrophobicContact CD1-CG2 4.17Å; L7-V30 HydrophobicContact CG-CG2 4.44Å; L8-V30 HydrophobicContact CD2-CG1 4.06Å; L8-V30 HydrophobicContact CD2-CG2 4.03Å; L8-V30 HydrophobicContact CG-CG1 4.44Å; L8-V30 HydrophobicContact CG-CG2 4.1Å; A26-V30 WeakPolarHBondContact O-CG2 3.28Å; A26-V30 PolarHBondContact O-N 2.88Å; M27-V30 HydrophobicContact CE-CB 4.38Å; M27-V30 HydrophobicContact CE-CG1 4.35Å; M27-V30 PolarHBondContact O-N 3.17Å; M27-V30 HydrophobicContact SD-CG2 4.46Å; K28-V30 PolarHBondContact O-N 3.03Å; V30-E32 VanDerWaalsContact C-N 3.35Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 3.22Å; V30-L37 HydrophobicContact CG1-CD2 3.81Å
31T98Very high97Very high2 Ų248 Ų481%0.01227%0.265CS..Hα-helixtrans-68-36.5-178-56.70000111.7M27 K28 A29 L33 N34 L103 F107 L108M27-T31 WeakPolarHBondContact O-CB 3.3Å; M27-T31 PolarHBondContact O-N 3.18Å; M27-T31 PolarHBondContact O-OG1 3.2Å; K28-T31 PolarHBondContact O-N 2.98Å; K28-T31 VanDerWaalsContact O-N 3.15Å; A29-T31 VanDerWaalsContact C-N 3.33Å; A29-T31 PolarHBondContact O-N 3.49Å; T31-L33 PolarHBondContact O-N 3.27Å; T31-N34 PolarHBondContact O-N 3.1Å; T31-N34 VanDerWaalsContact O-N 3.08Å; T31-L103 HydrophobicContact CG2-CB 4.11Å; T31-L103 HydrophobicContact CG2-CD2 4.01Å; T31-L103 HydrophobicContact CG2-CG 4.47Å; T31-F107 HydrophobicContact CG2-CB 3.82Å; T31-F107 HydrophobicContact CG2-CD2 4.42Å; T31-F107 HydrophobicContact CG2-CG 4.38Å; T31-L108 HydrophobicContact CG2-CD1 3.93Å; T31-L108 HydrophobicContact CG2-CD2 3.84Å; T31-L108 HydrophobicContact CG2-CG 3.78Å
32E97.4Very high96.9Very high93 Ų9344.8 Ų44.844%0.43525%0.247SC..Hα-helixtrans-71.3-12.9178.2-71.7175.7166.300113.6K28 A29 V30 N34 L103 F107K28-E32 VanDerWaalsContact CE-OE1 3.28Å; K28-E32 WeakPolarHBondContact CE-OE1 3.26Å; K28-E32 WeakPolarHBondContact O-CG 3.2Å; K28-E32 PolarHBondContact O-N 3.49Å; A29-E32 PolarHBondContact O-N 2.79Å; V30-E32 VanDerWaalsContact C-N 3.35Å; E32-N34 PolarHBondContact O-N 3.12Å; E32-L103 HydrophobicContact CG-CD2 3.78Å; E32-F107 HydrophobicContact CB-CZ 4.31Å; E32-F107 HydrophobicContact CG-CD2 4.46Å; E32-F107 HydrophobicContact CG-CE2 3.8Å; E32-F107 HydrophobicContact CG-CZ 3.9Å
33L96.4Very high96.8Very high65 Ų6546.2 Ų46.234%0.3426%0.255SS..THydrogen-bonded Turntrans-65.9-8.3166.5-61.3176.9000112.7R4 L7 A29 V30 T31 E35R4-L33 HydrophobicContact CB-CD1 3.63Å; R4-L33 HydrophobicContact CG-CD1 4.05Å; L7-L33 HydrophobicContact CD1-CD1 4.31Å; A29-L33 WeakPolarHBondContact O-CG 3.4Å; A29-L33 PolarHBondContact O-N 3.34Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 3.22Å; T31-L33 PolarHBondContact O-N 3.27Å; L33-E35 PolarHBondContact O-N 3.03Å
34N95.1Very high96.8Very high85 Ų8546.7 Ų46.746%0.45526%0.257SS..  trans58.533.1172.9-165.458.7000113.8T31 E32 F107 N111T31-N34 PolarHBondContact O-N 3.1Å; T31-N34 VanDerWaalsContact O-N 3.08Å; E32-N34 PolarHBondContact O-N 3.12Å; N34-F107 HydrophobicContact CB-CD1 3.98Å; N34-F107 HydrophobicContact CB-CE1 4.42Å; N34-F107 WeakPolarHBondContact OD1-CD1 3.17Å; N34-N111 PolarHBondContact OD1-ND2 3.26Å
35E93.3Very high96.8Very high105 Ų10546.4 Ų46.449%0.49126%0.255SS..  trans-111.1140.9173.9-77.8175.2-175.600109.2R4 L33 L37R4-E35 VanDerWaalsContact CD-OE2 3.24Å; R4-E35 WeakPolarHBondContact CD-OE2 3.32Å; R4-E35 IonicContact CZ-OE2 3.52Å; R4-E35 IonicContact NE-OE2 2.94Å; R4-E35 PolarHBondContact NH1-O 2.94Å; R4-E35 IonicContact NH1-OE2 2.73Å; R4-E35 PolarHBondContact NH1-OE2 3.44Å; L33-E35 PolarHBondContact O-N 3.03Å; E35-L37 PolarHBondContact O-N 3.49Å
36P92.8Very high96.8Very high100 Ų10044.3 Ų44.365%0.64924%0.24SC*.PPolyproline II helixtrans-51.1137178.9-27.535000113R4R4-P36 PolarHBondContact NH2-O 3.23Å; R4-P36 VanDerWaalsContact NH2-O 3.08Å
37L96.5Very high96.8Very high13 Ų1346.5 Ų46.57%0.06825%0.253CS..PPolyproline II helixtrans-81.4138.1172.3-59-173000109.8V30 E35 D41 R42 L45 L108V30-L37 HydrophobicContact CG1-CD2 3.81Å; E35-L37 PolarHBondContact O-N 3.49Å; L37-D41 HydrophobicContact CB-CB 4Å; L37-D41 HydrophobicContact CD2-CB 4.16Å; L37-R42 HydrophobicContact CB-CB 4.19Å; L37-L45 HydrophobicContact CD1-CB 4.44Å; L37-L45 HydrophobicContact CD1-CD2 4.01Å; L37-L108 HydrophobicContact CD1-CD2 3.8Å; L37-L108 HydrophobicContact CG-CD2 3.89Å
38S95.8Very high96.8Very high54 Ų5446.5 Ų46.538%0.37825%0.253SS..PPolyproline II helixtrans-66.5167.6165.673.40000110.2E40 D41 R42S38-E40 PolarHBondContact O-N 3.12Å; S38-E40 PolarHBondContact OG-N 3.39Å; S38-D41 PolarHBondContact O-N 2.83Å; S38-D41 PolarHBondContact OG-N 2.74Å; S38-D41 PolarHBondContact OG-OD1 2.9Å; S38-D41 PolarHBondContact OG-OD2 2.87Å; S38-R42 WeakPolarHBondContact O-CB 3.44Å; S38-R42 PolarHBondContact O-N 2.96Å
39N94.1Very high96.8Very high84 Ų8444.2 Ų44.245%0.44924%0.243SC..Hα-helixtrans-58.4-36.8173.7-74.9-13.1000111.9N43N39-N43 WeakPolarHBondContact O-CB 3.44Å; N39-N43 PolarHBondContact O-N 2.83Å; N39-N43 VanDerWaalsContact O-N 3.07Å; N39-N43 PolarHBondContact O-ND2 3.42Å
40E95.8Very high96.8Very high109 Ų10949 Ų4951%0.50926%0.258SS..Hα-helixtrans-65.9-51.2175.6-170.3-169.7148.300111.4R12 S38 R42 N43 L44R12-E40 IonicContact CZ-OE1 3.44Å; R12-E40 IonicContact NE-OE1 3.41Å; R12-E40 PolarHBondContact NE-OE1 3.33Å; R12-E40 VanDerWaalsContact NE-OE1 3.15Å; R12-E40 IonicContact NH2-OE1 3.84Å; R12-E40 PolarHBondContact NH2-OE1 2.79Å; R12-E40 IonicContact NH2-OE2 3.88Å; S38-E40 PolarHBondContact O-N 3.12Å; S38-E40 PolarHBondContact OG-N 3.39Å; E40-R42 VanDerWaalsContact C-N 3.29Å; E40-R42 PolarHBondContact O-N 3.44Å; E40-N43 WeakPolarHBondContact O-CB 3.42Å; E40-N43 PolarHBondContact O-N 3.49Å; E40-N43 VanDerWaalsContact O-N 3.1Å; E40-L44 PolarHBondContact O-N 2.95Å
41D97.4Very high96.9Very high11 Ų1151.8 Ų51.86%0.05927%0.273CS..Hα-helixtrans-62.7-38.8-179-63.4-9000111.4R4 L8 M27 L37 S38 N43 L44 L45R4-D41 IonicContact CZ-OD2 3.82Å; R4-D41 IonicContact NE-OD2 3.74Å; R4-D41 IonicContact NH2-OD2 2.82Å; R4-D41 PolarHBondContact NH2-OD2 3.23Å; L8-D41 HydrophobicContact CD2-CB 4.18Å; L8-D41 WeakPolarHBondContact CD2-OD1 3.32Å; M27-D41 HydrophobicContact CE-CB 4.47Å; M27-D41 WeakPolarHBondContact CE-O 3.42Å; L37-D41 HydrophobicContact CB-CB 4Å; L37-D41 HydrophobicContact CD2-CB 4.16Å; S38-D41 PolarHBondContact O-N 2.83Å; S38-D41 PolarHBondContact OG-N 2.74Å; S38-D41 PolarHBondContact OG-OD1 2.9Å; S38-D41 PolarHBondContact OG-OD2 2.87Å; D41-N43 VanDerWaalsContact C-N 3.34Å; D41-L44 WeakPolarHBondContact O-CB 3.43Å; D41-L44 PolarHBondContact O-N 3.39Å; D41-L45 PolarHBondContact O-N 3.4Å
42R97.3Very high96.9Very high8 Ų851.8 Ų51.83%0.0327%0.273CS..Hα-helixtrans-63.7-40.5175.5178.9-178.181.9-164.9-0.8111.6L37 S38 E40 L45 S46 S119 F122 Y123L37-R42 HydrophobicContact CB-CB 4.19Å; S38-R42 WeakPolarHBondContact O-CB 3.44Å; S38-R42 PolarHBondContact O-N 2.96Å; E40-R42 VanDerWaalsContact C-N 3.29Å; E40-R42 PolarHBondContact O-N 3.44Å; R42-L45 PolarHBondContact O-N 3.29Å; R42-S46 PolarHBondContact O-N 2.81Å; R42-S119 VanDerWaalsContact NH1-CA 3.28Å; R42-S119 PolarHBondContact NH1-OG 3.01Å; R42-F122 HydrophobicContact CG-CD1 3.49Å; R42-F122 VanDerWaalsContact CG-CD1 3.49Å; R42-F122 HydrophobicContact CG-CE1 3.24Å; R42-F122 HydrophobicContact CG-CG 4.23Å; R42-F122 HydrophobicContact CG-CZ 3.83Å; R42-Y123 WeakPolarHBondContact CD-OH 3.34Å; R42-Y123 HydrophobicContact CG-CD1 4.46Å; R42-Y123 HydrophobicContact CG-CE1 3.54Å
43N96.5Very high96.9Very high77 Ų7747.4 Ų47.441%0.41225%0.252SS..Hα-helixtrans-65.5-40174.9-72.7-16.2000111.3N39 E40 D41 L45 S46 V47N39-N43 WeakPolarHBondContact O-CB 3.44Å; N39-N43 PolarHBondContact O-N 2.83Å; N39-N43 VanDerWaalsContact O-N 3.07Å; N39-N43 PolarHBondContact O-ND2 3.42Å; E40-N43 WeakPolarHBondContact O-CB 3.42Å; E40-N43 PolarHBondContact O-N 3.49Å; E40-N43 VanDerWaalsContact O-N 3.1Å; D41-N43 VanDerWaalsContact C-N 3.34Å; N43-L45 PolarHBondContact O-N 2.95Å; N43-S46 WeakPolarHBondContact O-CB 3.34Å; N43-S46 PolarHBondContact O-N 3.34Å; N43-V47 WeakPolarHBondContact O-CG2 3.44Å; N43-V47 PolarHBondContact O-N 3.1Å
44L98.1Very high97Very high10 Ų1045.5 Ų45.55%0.05225%0.249CC..Hα-helixtrans-58.7-46.5173.3-71.1172.8000111.8L8 R12 E15 M23 M27 E40 D41 S46 V47 A48L8-L44 HydrophobicContact CD2-CD1 4.43Å; R12-L44 HydrophobicContact CG-CD1 3.97Å; R12-L44 HydrophobicContact CG-CD2 4.33Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.45Å; M23-L44 HydrophobicContact CE-CB 3.96Å; M23-L44 HydrophobicContact CE-CD2 3.57Å; M23-L44 HydrophobicContact CE-CG 4.4Å; M23-L44 WeakPolarHBondContact CE-O 3.12Å; M27-L44 HydrophobicContact CE-CB 4.1Å; M27-L44 HydrophobicContact CG-CB 4.39Å; M27-L44 HydrophobicContact SD-CB 3.89Å; E40-L44 PolarHBondContact O-N 2.95Å; D41-L44 WeakPolarHBondContact O-CB 3.43Å; D41-L44 PolarHBondContact O-N 3.39Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.38Å; L44-V47 PolarHBondContact O-N 2.99Å; L44-A48 WeakPolarHBondContact O-CB 3.33Å; L44-A48 PolarHBondContact O-N 3.48Å
45L98.6Very high97.2Very high0 Ų044.1 Ų44.10%025%0.249CC..Hα-helixtrans-57.3-44.5175.2179.270.5000111.4M27 L37 D41 R42 N43 A48 Y49 L103 L108M27-L45 HydrophobicContact CB-CB 4.42Å; M27-L45 HydrophobicContact CB-CD1 3.74Å; M27-L45 HydrophobicContact CE-CB 4.01Å; L37-L45 HydrophobicContact CD1-CB 4.44Å; L37-L45 HydrophobicContact CD1-CD2 4.01Å; D41-L45 PolarHBondContact O-N 3.4Å; R42-L45 PolarHBondContact O-N 3.29Å; N43-L45 PolarHBondContact O-N 2.95Å; L45-A48 PolarHBondContact O-N 3.31Å; L45-Y49 HydrophobicContact CD1-CD2 3.65Å; L45-Y49 HydrophobicContact CD1-CE2 3.54Å; L45-Y49 HydrophobicContact CG-CD2 4.35Å; L45-Y49 PolarHBondContact O-N 2.83Å; L45-L103 HydrophobicContact CD1-CD1 4.42Å; L45-L108 HydrophobicContact CD2-CD1 3.52Å
46S98.3Very high97.4Very high28 Ų2841.3 Ų41.320%0.19623%0.234CC..Hα-helixtrans-63.8-48.6179.6-169.70000112.2R42 N43 L44 A48 K50R42-S46 PolarHBondContact O-N 2.81Å; N43-S46 WeakPolarHBondContact O-CB 3.34Å; N43-S46 PolarHBondContact O-N 3.34Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.38Å; S46-A48 VanDerWaalsContact C-N 3.34Å; S46-A48 PolarHBondContact O-N 3.05Å; S46-K50 WeakPolarHBondContact O-CB 3.45Å; S46-K50 PolarHBondContact O-N 3.29Å
47V98.4Very high97.7Very high47 Ų4737.9 Ų37.929%0.28521%0.208SC..Hα-helixtrans-60.4-43.3177.7169.20000111.2Y20 M23 N43 L44 N51Y20-V47 HydrophobicContact CE1-CG1 4.38Å; M23-V47 HydrophobicContact CE-CB 4.08Å; M23-V47 HydrophobicContact CE-CG1 4Å; M23-V47 HydrophobicContact SD-CG1 4.24Å; N43-V47 WeakPolarHBondContact O-CG2 3.44Å; N43-V47 PolarHBondContact O-N 3.1Å; L44-V47 PolarHBondContact O-N 2.99Å; V47-N51 PolarHBondContact O-N 3.07Å; V47-N51 VanDerWaalsContact O-N 3.15Å; V47-N51 PolarHBondContact O-ND2 3.35Å
48A98.7Very high97.8Very high0 Ų040.4 Ų40.40%023%0.227CC..Hα-helixtrans-56.7-61.917900000111.5M23 A24 L44 L45 S46 K50 N51 V52M23-A48 HydrophobicContact CB-CB 3.97Å; M23-A48 HydrophobicContact CE-CB 4.14Å; M23-A48 HydrophobicContact CG-CB 3.6Å; M23-A48 VanDerWaalsContact SD-CA 3.55Å; M23-A48 HydrophobicContact SD-CB 3.58Å; M23-A48 VanDerWaalsContact SD-CB 3.58Å; A24-A48 HydrophobicContact CB-CB 4.19Å; L44-A48 WeakPolarHBondContact O-CB 3.33Å; L44-A48 PolarHBondContact O-N 3.48Å; L45-A48 PolarHBondContact O-N 3.31Å; S46-A48 VanDerWaalsContact C-N 3.34Å; S46-A48 PolarHBondContact O-N 3.05Å; A48-K50 PolarHBondContact O-N 3.05Å; A48-N51 PolarHBondContact O-N 3.36Å; A48-V52 VanDerWaalsContact O-CG2 3.29Å; A48-V52 WeakPolarHBondContact O-CG2 3.46Å; A48-V52 PolarHBondContact O-N 3.29Å; A48-V52 VanDerWaalsContact O-N 3.13Å
49Y98.8Very high97.9Very high5 Ų540.7 Ų40.72%0.0223%0.229CC..Hα-helixtrans-70.6-32.1-175.3-80.6-84.5000112.9A24 L45 N51 V52 V53 V96 D99 V100 L103 Y130A24-Y49 HydrophobicContact CB-CD1 4.43Å; A24-Y49 HydrophobicContact CB-CD2 4.3Å; A24-Y49 HydrophobicContact CB-CE1 4.27Å; A24-Y49 HydrophobicContact CB-CE2 4.12Å; A24-Y49 HydrophobicContact CB-CG 4.46Å; L45-Y49 HydrophobicContact CD1-CD2 3.65Å; L45-Y49 HydrophobicContact CD1-CE2 3.54Å; L45-Y49 HydrophobicContact CG-CD2 4.35Å; L45-Y49 PolarHBondContact O-N 2.83Å; Y49-N51 VanDerWaalsContact C-N 3.33Å; Y49-N51 PolarHBondContact O-N 3.11Å; Y49-V52 PolarHBondContact O-N 3.42Å; Y49-V53 WeakPolarHBondContact O-CB 3.47Å; Y49-V53 WeakPolarHBondContact O-CG2 3.48Å; Y49-V53 PolarHBondContact O-N 2.92Å; Y49-V96 HydrophobicContact CD1-CG1 3.74Å; Y49-V96 HydrophobicContact CE1-CG1 4.09Å; Y49-D99 HydrophobicContact CE1-CB 4.27Å; Y49-V100 HydrophobicContact CD1-CB 3.69Å; Y49-V100 HydrophobicContact CD1-CG1 4.17Å; Y49-V100 HydrophobicContact CD1-CG2 4.34Å; Y49-V100 HydrophobicContact CD2-CB 4.26Å; Y49-V100 HydrophobicContact CD2-CG2 4.13Å; Y49-V100 HydrophobicContact CE1-CB 3.8Å; Y49-V100 HydrophobicContact CE2-CB 4.37Å; Y49-V100 HydrophobicContact CE2-CG2 4.48Å; Y49-V100 HydrophobicContact CG-CB 3.92Å; Y49-V100 HydrophobicContact CG-CG2 4.05Å; Y49-L103 HydrophobicContact CE2-CD1 4.03Å; Y49-L103 WeakPolarHBondContact OH-CD1 3.42Å; Y49-Y130 VanDerWaalsContact C-OH 3.26Å; Y49-Y130 WeakPolarHBondContact CB-OH 3.43Å
50K98.2Very high98.1Very high134 Ų13438.5 Ų38.558%0.58321%0.214SC*.Hα-helixtrans-58.7-45.2174.7178.8-177.2175.3-175.20111.2S46 A48 G54 Y130S46-K50 WeakPolarHBondContact O-CB 3.45Å; S46-K50 PolarHBondContact O-N 3.29Å; A48-K50 PolarHBondContact O-N 3.05Å; K50-G54 WeakPolarHBondContact O-CA 3.45Å; K50-G54 PolarHBondContact O-N 3.25Å; K50-Y130 PolarHBondContact N-OH 3.28Å
51N98.5Very high98.2Very high57 Ų5738.1 Ų38.131%0.30521%0.208SC..Hα-helixtrans-71.8-42.4-180-79.8-72.5000112.1Y20 V47 A48 Y49 V53 G54 A55Y20-N51 HydrophobicContact CD1-CB 3.51Å; Y20-N51 HydrophobicContact CD2-CB 3.48Å; Y20-N51 VanDerWaalsContact CD2-CB 3.48Å; Y20-N51 HydrophobicContact CE1-CB 3.85Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.44Å; Y20-N51 HydrophobicContact CE2-CB 3.82Å; Y20-N51 HydrophobicContact CG-CB 3.3Å; V47-N51 PolarHBondContact O-N 3.07Å; V47-N51 VanDerWaalsContact O-N 3.15Å; V47-N51 PolarHBondContact O-ND2 3.35Å; A48-N51 PolarHBondContact O-N 3.36Å; Y49-N51 VanDerWaalsContact C-N 3.33Å; Y49-N51 PolarHBondContact O-N 3.11Å; N51-V53 PolarHBondContact O-N 3.36Å; N51-G54 PolarHBondContact O-N 2.87Å; N51-A55 PolarHBondContact O-N 3.13Å
52V98.6Very high98.3Very high3 Ų341.9 Ų41.92%0.01823%0.232CC..Hα-helixtrans-58.4-49.6176.9174.10000110.9Y20 A24 A48 Y49 R56 V96Y20-V52 VanDerWaalsContact O-CG2 3.28Å; Y20-V52 WeakPolarHBondContact O-CG2 3.47Å; A24-V52 HydrophobicContact CB-CG2 4.09Å; A48-V52 VanDerWaalsContact O-CG2 3.29Å; A48-V52 WeakPolarHBondContact O-CG2 3.46Å; A48-V52 PolarHBondContact O-N 3.29Å; A48-V52 VanDerWaalsContact O-N 3.13Å; Y49-V52 PolarHBondContact O-N 3.42Å; V52-R56 WeakPolarHBondContact O-CD 3.29Å; V52-R56 PolarHBondContact O-NH1 2.93Å; V52-V96 HydrophobicContact CB-CG1 4.28Å; V52-V96 HydrophobicContact CG1-CB 4.27Å; V52-V96 HydrophobicContact CG1-CG1 3.5Å; V52-V96 HydrophobicContact CG1-CG2 3.77Å
53V98.6Very high98.3Very high0 Ų042.3 Ų42.30%023%0.234CC..Hα-helixtrans-70.9-40.1178.3173.10000111.5Y49 N51 A55 R56 R57 V96 Y130 Y133Y49-V53 WeakPolarHBondContact O-CB 3.47Å; Y49-V53 WeakPolarHBondContact O-CG2 3.48Å; Y49-V53 PolarHBondContact O-N 2.92Å; N51-V53 PolarHBondContact O-N 3.36Å; V53-A55 VanDerWaalsContact C-N 3.34Å; V53-A55 PolarHBondContact O-N 2.95Å; V53-R56 PolarHBondContact O-N 3.08Å; V53-R56 VanDerWaalsContact O-N 3.15Å; V53-R57 HydrophobicContact CG1-CG 3.99Å; V53-R57 WeakPolarHBondContact O-CG 3.49Å; V53-R57 PolarHBondContact O-N 2.96Å; V53-V96 HydrophobicContact CG2-CB 4.1Å; V53-V96 HydrophobicContact CG2-CG1 3.41Å; V53-V96 VanDerWaalsContact CG2-CG1 3.41Å; V53-Y130 HydrophobicContact CB-CE1 4.22Å; V53-Y130 HydrophobicContact CG2-CD1 4.1Å; V53-Y130 HydrophobicContact CG2-CE1 3.68Å; V53-Y133 HydrophobicContact CG1-CD2 3.61Å; V53-Y133 HydrophobicContact CG1-CE2 4.25Å; V53-Y133 HydrophobicContact CG1-CG 4.05Å
54G98.2Very high98.3Very high26 Ų2639.6 Ų39.627%0.26822%0.221SC..Hα-helixtrans-55.4-45.6177.800000113K50 N51 R56 R57 S58K50-G54 WeakPolarHBondContact O-CA 3.45Å; K50-G54 PolarHBondContact O-N 3.25Å; N51-G54 PolarHBondContact O-N 2.87Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.36Å; G54-R57 PolarHBondContact O-N 3.35Å; G54-S58 PolarHBondContact O-N 3.48Å; G54-S58 PolarHBondContact O-OG 2.83Å
55A98.3Very high98.3Very high56 Ų5641.3 Ų41.346%0.46323%0.234SC..Hα-helixtrans-61.4-40177.600000112.8N51 V53 S59N51-A55 PolarHBondContact O-N 3.13Å; V53-A55 VanDerWaalsContact C-N 3.34Å; V53-A55 PolarHBondContact O-N 2.95Å; A55-S59 WeakPolarHBondContact O-CB 3.23Å; A55-S59 PolarHBondContact O-N 3.22Å; A55-S59 PolarHBondContact O-OG 3.05Å
56R98.4Very high98.3Very high45 Ų4544.5 Ų44.517%0.1725%0.25CS..Hα-helixtrans-71.9-40.3179.1-72155.1178.785.8-8.3111.6D21 V52 V53 G54 S59 W60 I89 L93D21-R56 IonicContact OD1-CZ 3.19Å; D21-R56 IonicContact OD1-NH1 2.69Å; D21-R56 PolarHBondContact OD1-NH1 3.34Å; D21-R56 IonicContact OD1-NH2 3.79Å; D21-R56 PolarHBondContact OD1-NH2 3.03Å; D21-R56 IonicContact OD2-NH2 2.64Å; V52-R56 WeakPolarHBondContact O-CD 3.29Å; V52-R56 PolarHBondContact O-NH1 2.93Å; V53-R56 PolarHBondContact O-N 3.08Å; V53-R56 VanDerWaalsContact O-N 3.15Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.36Å; R56-S59 WeakPolarHBondContact O-CB 2.94Å; R56-S59 PolarHBondContact O-N 2.95Å; R56-W60 WeakPolarHBondContact O-CB 3.27Å; R56-W60 PolarHBondContact O-N 3.27Å; R56-I89 WeakPolarHBondContact O-CG2 3.47Å; R56-L93 HydrophobicContact CB-CB 4.29Å
57R98.2Very high98.2Very high28 Ų2844.5 Ų44.511%0.10625%0.247CC..Hα-helixtrans-60.5-45.9172.7-71.8178.571.7-138.79.8112V53 G54 S59 W60 R61 L93 Y133 E136V53-R57 HydrophobicContact CG1-CG 3.99Å; V53-R57 WeakPolarHBondContact O-CG 3.49Å; V53-R57 PolarHBondContact O-N 2.96Å; G54-R57 PolarHBondContact O-N 3.35Å; R57-S59 VanDerWaalsContact C-N 3.33Å; R57-S59 PolarHBondContact O-N 3.48Å; R57-W60 WeakPolarHBondContact O-CB 3.48Å; R57-W60 PolarHBondContact O-N 2.95Å; R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 3.19Å; R57-L93 HydrophobicContact CB-CD1 4.48Å; R57-L93 HydrophobicContact CG-CD1 3.5Å; R57-Y133 VanDerWaalsContact CZ-CD1 3.45Å; R57-E136 IonicContact CZ-OE2 3.8Å; R57-E136 IonicContact NE-OE2 2.88Å; R57-E136 PolarHBondContact NE-OE2 3.45Å; R57-E136 IonicContact NH2-OE1 3.72Å; R57-E136 IonicContact NH2-OE2 3.01Å; R57-E136 PolarHBondContact NH2-OE2 3.02Å
58S98.4Very high98.1Very high66 Ų6648.6 Ų48.646%0.46226%0.263SS..Hα-helixtrans-59.9-44.8175.3-65.80000111.5G54 W60 R61 V62G54-S58 PolarHBondContact O-N 3.48Å; G54-S58 PolarHBondContact O-OG 2.83Å; S58-W60 VanDerWaalsContact C-N 3.33Å; S58-W60 PolarHBondContact O-N 3.12Å; S58-R61 PolarHBondContact O-N 3.21Å; S58-V62 WeakPolarHBondContact O-CG2 3.34Å; S58-V62 PolarHBondContact O-N 2.9Å; S58-V62 VanDerWaalsContact O-N 3.16Å
59S98.5Very high98Very high61 Ų6154.9 Ų54.943%0.42729%0.291SS..Hα-helixtrans-61.3-42.5175.8-59.10000111.9A55 R56 R57 V62 I63A55-S59 WeakPolarHBondContact O-CB 3.23Å; A55-S59 PolarHBondContact O-N 3.22Å; A55-S59 PolarHBondContact O-OG 3.05Å; R56-S59 WeakPolarHBondContact O-CB 2.94Å; R56-S59 PolarHBondContact O-N 2.95Å; R57-S59 VanDerWaalsContact C-N 3.33Å; R57-S59 PolarHBondContact O-N 3.48Å; S59-V62 PolarHBondContact O-N 3.48Å; S59-I63 WeakPolarHBondContact O-CG2 3.38Å; S59-I63 PolarHBondContact O-N 2.68Å
60W98.5Very high97.8Very high37 Ų3754.7 Ų54.714%0.1429%0.29CS..Hα-helixtrans-61.9-46.7177.7-178.582.3000112.1R56 R57 S58 V62 I63 S64 I89 E90 E136 V137R56-W60 WeakPolarHBondContact O-CB 3.27Å; R56-W60 PolarHBondContact O-N 3.27Å; R57-W60 WeakPolarHBondContact O-CB 3.48Å; R57-W60 PolarHBondContact O-N 2.95Å; S58-W60 VanDerWaalsContact C-N 3.33Å; S58-W60 PolarHBondContact O-N 3.12Å; W60-V62 VanDerWaalsContact C-N 3.34Å; W60-V62 PolarHBondContact O-N 3Å; W60-I63 WeakPolarHBondContact O-CG2 3.29Å; W60-I63 PolarHBondContact O-N 3.42Å; W60-S64 WeakPolarHBondContact O-CB 3.28Å; W60-S64 PolarHBondContact O-N 3.28Å; W60-S64 PolarHBondContact O-OG 3.2Å; W60-I89 HydrophobicContact CB-CG2 3.8Å; W60-E90 VanDerWaalsContact CD1-CG 3.47Å; W60-E90 PolarHBondContact NE1-OE1 3.12Å; W60-E136 HydrophobicContact CE3-CG 4.45Å; W60-E136 HydrophobicContact CH2-CG 4.23Å; W60-E136 WeakPolarHBondContact CH2-O 3.36Å; W60-E136 HydrophobicContact CZ3-CG 3.77Å; W60-V137 HydrophobicContact CD2-CG1 3.64Å; W60-V137 HydrophobicContact CE3-CG1 4.03Å; W60-V137 HydrophobicContact CG-CG1 3.99Å; W60-V137 HydrophobicContact CH2-CG1 4.33Å; W60-V137 HydrophobicContact CZ2-CB 4.24Å; W60-V137 HydrophobicContact CZ2-CG1 3.97Å; W60-V137 HydrophobicContact CZ3-CG1 4.37Å
61R98.1Very high97.6Very high102 Ų10254 Ų5439%0.38529%0.29SS..Hα-helixtrans-61.1-42.4178.1-70.3171.9-177.2172-18.8112.4R57 S58 S65 E136R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 3.19Å; S58-R61 PolarHBondContact O-N 3.21Å; R61-S65 PolarHBondContact O-N 3.03Å; R61-E136 IonicContact CZ-OE1 2.74Å; R61-E136 IonicContact NE-OE1 2.67Å; R61-E136 PolarHBondContact NE-OE1 3.32Å; R61-E136 IonicContact NH2-OE1 2.63Å; R61-E136 PolarHBondContact NH2-OE1 3.21Å; R61-E136 IonicContact NH2-OE2 3.95Å
62V98.4Very high97.4Very high90 Ų9055.6 Ų55.655%0.54531%0.311SS..Hα-helixtrans-63.1-48.4177.5172.10000110.8S58 S59 W60 S64 S65 I66S58-V62 WeakPolarHBondContact O-CG2 3.34Å; S58-V62 PolarHBondContact O-N 2.9Å; S58-V62 VanDerWaalsContact O-N 3.16Å; S59-V62 PolarHBondContact O-N 3.48Å; W60-V62 VanDerWaalsContact C-N 3.34Å; W60-V62 PolarHBondContact O-N 3Å; V62-S64 PolarHBondContact O-N 2.81Å; V62-S65 PolarHBondContact O-N 3.27Å; V62-I66 HydrophobicContact CG1-CD1 3.94Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.5Å
63I98.2Very high97.1Very high17 Ų1760.5 Ų60.59%0.08734%0.338CS..Hα-helixtrans-68.2-36.1-178.8-164.866000111.9S59 W60 S65 I66 E67 V82 Y85 R86 I89S59-I63 WeakPolarHBondContact O-CG2 3.38Å; S59-I63 PolarHBondContact O-N 2.68Å; W60-I63 WeakPolarHBondContact O-CG2 3.29Å; W60-I63 PolarHBondContact O-N 3.42Å; I63-S65 VanDerWaalsContact C-N 3.33Å; I63-S65 PolarHBondContact O-N 3.42Å; I63-I66 HydrophobicContact CD1-CB 4.43Å; I63-I66 HydrophobicContact CD1-CD1 4.38Å; I63-I66 CarbonylContact O-C 3.47Å; I63-I66 PolarHBondContact O-N 3.46Å; I63-E67 PolarHBondContact O-N 3.1Å; I63-V82 HydrophobicContact CD1-CG1 3.79Å; I63-V82 HydrophobicContact CG1-CG1 3.98Å; I63-Y85 HydrophobicContact CD1-CD1 3.85Å; I63-Y85 HydrophobicContact CG1-CD1 4Å; I63-R86 HydrophobicContact CG1-CB 4.23Å; I63-R86 HydrophobicContact CG2-CB 3.78Å; I63-R86 HydrophobicContact CG2-CG 3.95Å; I63-I89 HydrophobicContact CB-CD1 4.4Å; I63-I89 HydrophobicContact CG2-CD1 3.88Å
64S97.3Very high96.7Very high20 Ų2063.3 Ų63.314%0.1437%0.366CS..Hα-helixtrans-61.8-39.9173.4-65.70000111.7W60 V62 E67 Q68 R86W60-S64 WeakPolarHBondContact O-CB 3.28Å; W60-S64 PolarHBondContact O-N 3.28Å; W60-S64 PolarHBondContact O-OG 3.2Å; V62-S64 PolarHBondContact O-N 2.81Å; S64-E67 WeakPolarHBondContact O-CB 3.48Å; S64-E67 PolarHBondContact O-N 3.35Å; S64-Q68 WeakPolarHBondContact O-CG 3.48Å; S64-Q68 PolarHBondContact O-N 2.73Å; S64-Q68 VanDerWaalsContact O-N 3.08Å; S64-R86 WeakPolarHBondContact OG-CD 3.31Å
65S97.4Very high96.5Very high45 Ų4565.9 Ų65.932%0.31537%0.374SS..Hα-helixtrans-65.4-39.9172.7-175.40000112.5R61 V62 I63 E67 Q68 K69R61-S65 PolarHBondContact O-N 3.03Å; V62-S65 PolarHBondContact O-N 3.27Å; I63-S65 VanDerWaalsContact C-N 3.33Å; I63-S65 PolarHBondContact O-N 3.42Å; S65-E67 VanDerWaalsContact C-N 3.31Å; S65-E67 PolarHBondContact O-N 3.35Å; S65-Q68 PolarHBondContact O-N 3.45Å; S65-K69 WeakPolarHBondContact O-CG 3.48Å; S65-K69 PolarHBondContact O-N 3.13Å; S65-K69 VanDerWaalsContact O-N 3.15Å
66I97.7Very high96.3Very high67 Ų6770.9 Ų70.934%0.34439%0.388SS..Hα-helixtrans-64.9-37.3174.9-67.5167.2000110.9V62 I63 K69 T70 V82V62-I66 HydrophobicContact CG1-CD1 3.94Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.5Å; I63-I66 HydrophobicContact CD1-CB 4.43Å; I63-I66 HydrophobicContact CD1-CD1 4.38Å; I63-I66 CarbonylContact O-C 3.47Å; I63-I66 PolarHBondContact O-N 3.46Å; I66-K69 PolarHBondContact O-N 3.5Å; I66-T70 VanDerWaalsContact O-CB 3.27Å; I66-T70 WeakPolarHBondContact O-CB 3.28Å; I66-T70 PolarHBondContact O-N 2.86Å; I66-T70 PolarHBondContact O-OG1 2.87Å; I66-V82 HydrophobicContact CG2-CG1 4.16Å; I66-V82 HydrophobicContact CG2-CG2 4Å
67E96.9Very high96.2Very high28 Ų2876.7 Ų76.713%0.13141%0.414CS..Hα-helixtrans-60.9-50.4176.1-169.6179.5159.200111I63 S64 S65 K69 T70 M71 L79 V82 K83 R86I63-E67 PolarHBondContact O-N 3.1Å; S64-E67 WeakPolarHBondContact O-CB 3.48Å; S64-E67 PolarHBondContact O-N 3.35Å; S65-E67 VanDerWaalsContact C-N 3.31Å; S65-E67 PolarHBondContact O-N 3.35Å; E67-K69 VanDerWaalsContact C-N 3.33Å; E67-K69 PolarHBondContact O-N 3.44Å; E67-T70 PolarHBondContact O-N 3.15Å; E67-T70 VanDerWaalsContact O-N 3.17Å; E67-M71 WeakPolarHBondContact O-CB 3.39Å; E67-M71 PolarHBondContact O-N 3.18Å; E67-L79 HydrophobicContact CG-CD1 3.73Å; E67-V82 HydrophobicContact CB-CG1 3.62Å; E67-V82 HydrophobicContact CG-CG1 4.13Å; E67-K83 HydrophobicContact CG-CG 4.16Å; E67-K83 WeakPolarHBondContact OE1-CE 3.19Å; E67-K83 WeakPolarHBondContact OE1-CG 3.27Å; E67-R86 IonicContact OE1-NH2 3.48Å; E67-R86 VanDerWaalsContact OE2-CD 3.32Å; E67-R86 WeakPolarHBondContact OE2-CD 3.05Å; E67-R86 IonicContact OE2-CZ 3.36Å; E67-R86 IonicContact OE2-NE 3.12Å; E67-R86 PolarHBondContact OE2-NE 2.92Å; E67-R86 IonicContact OE2-NH2 2.83Å
68Q95.8Very high96.1Very high133 Ų13379.5 Ų79.562%0.62143%0.427SS*.Hα-helixtrans-56.9-45.6178-71.5174.1-9.400111.8S64 S65 M71 A72S64-Q68 WeakPolarHBondContact O-CG 3.48Å; S64-Q68 PolarHBondContact O-N 2.73Å; S64-Q68 VanDerWaalsContact O-N 3.08Å; S65-Q68 PolarHBondContact O-N 3.45Å; Q68-M71 PolarHBondContact O-N 3.09Å; Q68-A72 PolarHBondContact O-N 3.25Å
69K96.2Very high96Very high133 Ų13377.7 Ų77.758%0.57841%0.412SS*.Hα-helixtrans-64.3-43.7176.4-69.1171.2-177.4171.10112.1S65 I66 E67 M71 A72 D73S65-K69 WeakPolarHBondContact O-CG 3.48Å; S65-K69 PolarHBondContact O-N 3.13Å; S65-K69 VanDerWaalsContact O-N 3.15Å; I66-K69 PolarHBondContact O-N 3.5Å; E67-K69 VanDerWaalsContact C-N 3.33Å; E67-K69 PolarHBondContact O-N 3.44Å; K69-M71 VanDerWaalsContact C-N 3.29Å; K69-M71 PolarHBondContact O-N 2.93Å; K69-A72 WeakPolarHBondContact O-CB 3.29Å; K69-A72 PolarHBondContact O-N 3.21Å; K69-A72 VanDerWaalsContact O-N 3.15Å; K69-D73 PolarHBondContact O-N 2.91Å; K69-D73 VanDerWaalsContact O-N 3.09Å
70T95.7Very high96Very high1 Ų181.4 Ų81.41%0.00642%0.423CS..Hα-helixtrans-67-32.5-180-58.20000112.1I66 E67 A72 D73 G74 K78 L79I66-T70 VanDerWaalsContact O-CB 3.27Å; I66-T70 WeakPolarHBondContact O-CB 3.28Å; I66-T70 PolarHBondContact O-N 2.86Å; I66-T70 PolarHBondContact O-OG1 2.87Å; E67-T70 PolarHBondContact O-N 3.15Å; E67-T70 VanDerWaalsContact O-N 3.17Å; T70-A72 VanDerWaalsContact C-N 3.34Å; T70-D73 PolarHBondContact O-N 3.11Å; T70-G74 PolarHBondContact O-N 3.16Å; T70-K78 HydrophobicContact CG2-CB 3.82Å; T70-K78 HydrophobicContact CG2-CD 3.76Å; T70-K78 HydrophobicContact CG2-CG 3.67Å; T70-K78 WeakPolarHBondContact OG1-CE 3.31Å; T70-L79 HydrophobicContact CG2-CB 3.98Å; T70-L79 HydrophobicContact CG2-CD1 4.39Å
71M94.5Very high95.9Very high119 Ų11987.2 Ų87.259%0.58645%0.449SS*.Hα-helixtrans-64-39.5173.1-175.317363.700111.3E67 Q68 K69 D73 G74 L79E67-M71 WeakPolarHBondContact O-CB 3.39Å; E67-M71 PolarHBondContact O-N 3.18Å; Q68-M71 PolarHBondContact O-N 3.09Å; K69-M71 VanDerWaalsContact C-N 3.29Å; K69-M71 PolarHBondContact O-N 2.93Å; M71-D73 VanDerWaalsContact C-N 3.35Å; M71-G74 PolarHBondContact O-N 3.25Å; M71-L79 HydrophobicContact CB-CD1 4.13Å; M71-L79 HydrophobicContact CB-CD2 4.43Å; M71-L79 HydrophobicContact CG-CD2 4.48Å
72A94.3Very high95.9Very high90 Ų9083 Ų8374%0.74444%0.435SS*.Hα-helixtrans-68.5-30.8174.300000113.2Q68 K69 T70 G74Q68-A72 PolarHBondContact O-N 3.25Å; K69-A72 WeakPolarHBondContact O-CB 3.29Å; K69-A72 PolarHBondContact O-N 3.21Å; K69-A72 VanDerWaalsContact O-N 3.15Å; T70-A72 VanDerWaalsContact C-N 3.34Å; A72-G74 VanDerWaalsContact C-N 3.25Å; A72-G74 PolarHBondContact O-N 3.45Å
73D91.1Very high95.9Very high107 Ų10782.5 Ų82.557%0.57243%0.425SS*.THydrogen-bonded Turntrans-71.7-13.7177.6-64-20.5000113.7K69 T70 M71 N75 K78K69-D73 PolarHBondContact O-N 2.91Å; K69-D73 VanDerWaalsContact O-N 3.09Å; T70-D73 PolarHBondContact O-N 3.11Å; M71-D73 VanDerWaalsContact C-N 3.35Å; D73-N75 PolarHBondContact O-N 2.74Å; D73-K78 IonicContact OD2-NZ 3.95Å
74G90.9Very high95.9Very high58 Ų5884.4 Ų84.460%0.59844%0.443SS*.THydrogen-bonded Turntrans69.38.6-17800000115.5T70 M71 A72 E76T70-G74 PolarHBondContact O-N 3.16Å; M71-G74 PolarHBondContact O-N 3.25Å; A72-G74 VanDerWaalsContact C-N 3.25Å; A72-G74 PolarHBondContact O-N 3.45Å; G74-E76 PolarHBondContact O-N 3.43Å; G74-E76 VanDerWaalsContact O-N 3.12Å
75N93.1Very high95.9Very high80 Ų8089.5 Ų89.543%0.42846%0.46SS..  trans-83.387.8-179.5-172.6-26000111.5D73 K77 K78 L79D73-N75 PolarHBondContact O-N 2.74Å; N75-K77 PolarHBondContact O-N 3.2Å; N75-K78 HydrophobicContact CB-CB 4.02Å; N75-K78 VanDerWaalsContact CG-CB 3.46Å; N75-K78 PolarHBondContact O-N 3.36Å; N75-K78 VanDerWaalsContact O-N 3.16Å; N75-K78 WeakPolarHBondContact OD1-CB 3.45Å; N75-K78 PolarHBondContact OD1-N 2.9Å; N75-K78 VanDerWaalsContact OD1-N 3.09Å; N75-L79 WeakPolarHBondContact O-CB 3.39Å; N75-L79 PolarHBondContact O-N 2.97Å
76E95.1Very high96Very high162 Ų16289.5 Ų89.576%0.75745%0.453SS*.Hα-helixtrans-56.4-44-175.4-64.4-179.317100113.9G74 K78 L79 E80G74-E76 PolarHBondContact O-N 3.43Å; G74-E76 VanDerWaalsContact O-N 3.12Å; E76-K78 VanDerWaalsContact C-N 3.32Å; E76-K78 PolarHBondContact O-N 3.38Å; E76-L79 WeakPolarHBondContact O-CB 3.38Å; E76-L79 PolarHBondContact O-N 3.3Å; E76-E80 PolarHBondContact O-N 3.47Å
77K95.2Very high96Very high167 Ų16790.4 Ų90.473%0.72646%0.456SS*.Hα-helixtrans-65.1-36.2179.8-71-176.6179.5177.50112.4N75 K81N75-K77 PolarHBondContact O-N 3.2Å; K77-K81 WeakPolarHBondContact O-CG 3.24Å; K77-K81 PolarHBondContact O-N 3Å
78K96Very high96Very high87 Ų8794.2 Ų94.238%0.37847%0.472SS..Hα-helixtrans-71.6-41.7174.8-173.5-175.2163.5-163.10109.8T70 D73 N75 E76 E80 K81 V82T70-K78 HydrophobicContact CG2-CB 3.82Å; T70-K78 HydrophobicContact CG2-CD 3.76Å; T70-K78 HydrophobicContact CG2-CG 3.67Å; T70-K78 WeakPolarHBondContact OG1-CE 3.31Å; D73-K78 IonicContact OD2-NZ 3.95Å; N75-K78 HydrophobicContact CB-CB 4.02Å; N75-K78 VanDerWaalsContact CG-CB 3.46Å; N75-K78 PolarHBondContact O-N 3.36Å; N75-K78 VanDerWaalsContact O-N 3.16Å; N75-K78 WeakPolarHBondContact OD1-CB 3.45Å; N75-K78 PolarHBondContact OD1-N 2.9Å; N75-K78 VanDerWaalsContact OD1-N 3.09Å; E76-K78 VanDerWaalsContact C-N 3.32Å; E76-K78 PolarHBondContact O-N 3.38Å; K78-E80 PolarHBondContact O-N 3.35Å; K78-K81 PolarHBondContact O-N 3.46Å; K78-V82 HydrophobicContact CG-CG2 4.45Å; K78-V82 VanDerWaalsContact O-CG2 3.31Å; K78-V82 WeakPolarHBondContact O-CG2 3.47Å; K78-V82 PolarHBondContact O-N 2.87Å
79L97.4Very high96.2Very high28 Ų2888.1 Ų88.115%0.14744%0.444CS..Hα-helixtrans-59.3-45.2178.5-176.360.2000111.8E67 T70 M71 N75 E76 K81 V82 K83E67-L79 HydrophobicContact CG-CD1 3.73Å; T70-L79 HydrophobicContact CG2-CB 3.98Å; T70-L79 HydrophobicContact CG2-CD1 4.39Å; M71-L79 HydrophobicContact CB-CD1 4.13Å; M71-L79 HydrophobicContact CB-CD2 4.43Å; M71-L79 HydrophobicContact CG-CD2 4.48Å; N75-L79 WeakPolarHBondContact O-CB 3.39Å; N75-L79 PolarHBondContact O-N 2.97Å; E76-L79 WeakPolarHBondContact O-CB 3.38Å; E76-L79 PolarHBondContact O-N 3.3Å; L79-K81 PolarHBondContact O-N 3.38Å; L79-V82 PolarHBondContact O-N 3.48Å; L79-K83 HydrophobicContact CD1-CD 4.49Å; L79-K83 HydrophobicContact CD1-CG 4.48Å; L79-K83 HydrophobicContact CG-CD 4.26Å; L79-K83 WeakPolarHBondContact O-CB 3.01Å; L79-K83 WeakPolarHBondContact O-CG 3.06Å; L79-K83 PolarHBondContact O-N 3.02Å
80E97.6Very high96.3Very high138 Ų13883.3 Ų83.365%0.64542%0.423SS*.Hα-helixtrans-57.9-46.1176.4-172.6-174.1176.500112E76 K78 V82 K83 A84E76-E80 PolarHBondContact O-N 3.47Å; K78-E80 PolarHBondContact O-N 3.35Å; E80-V82 PolarHBondContact O-N 2.72Å; E80-K83 PolarHBondContact O-N 3.26Å; E80-A84 WeakPolarHBondContact O-CB 3.16Å; E80-A84 PolarHBondContact O-N 3.26Å
81K97.9Very high96.4Very high160 Ų16089.6 Ų89.670%0.69645%0.451SS*.Hα-helixtrans-64.1-40.3177.7-70.4179.2-179.8-175.80112.7K77 K78 L79 Y85K77-K81 WeakPolarHBondContact O-CG 3.24Å; K77-K81 PolarHBondContact O-N 3Å; K78-K81 PolarHBondContact O-N 3.46Å; L79-K81 PolarHBondContact O-N 3.38Å; K81-Y85 PolarHBondContact O-N 2.86Å; K81-Y85 VanDerWaalsContact O-N 3.08Å
82V97.9Very high96.6Very high14 Ų1487.5 Ų87.59%0.08544%0.439CS..Hα-helixtrans-66.3-44.8178.6171.70000110.4I63 I66 E67 K78 L79 E80 Y85 R86I63-V82 HydrophobicContact CD1-CG1 3.79Å; I63-V82 HydrophobicContact CG1-CG1 3.98Å; I66-V82 HydrophobicContact CG2-CG1 4.16Å; I66-V82 HydrophobicContact CG2-CG2 4Å; E67-V82 HydrophobicContact CB-CG1 3.62Å; E67-V82 HydrophobicContact CG-CG1 4.13Å; K78-V82 HydrophobicContact CG-CG2 4.45Å; K78-V82 VanDerWaalsContact O-CG2 3.31Å; K78-V82 WeakPolarHBondContact O-CG2 3.47Å; K78-V82 PolarHBondContact O-N 2.87Å; L79-V82 PolarHBondContact O-N 3.48Å; E80-V82 PolarHBondContact O-N 2.72Å; V82-Y85 PolarHBondContact O-N 2.92Å; V82-R86 PolarHBondContact O-N 3.17Å
83K97.7Very high96.7Very high79 Ų7983.2 Ų83.234%0.34340%0.404SS..Hα-helixtrans-57.9-50.1174.5-79.1178.1175.7-176.50112.2E67 L79 E80 Y85 R86 E87E67-K83 HydrophobicContact CG-CG 4.16Å; E67-K83 WeakPolarHBondContact OE1-CE 3.19Å; E67-K83 WeakPolarHBondContact OE1-CG 3.27Å; L79-K83 HydrophobicContact CD1-CD 4.49Å; L79-K83 HydrophobicContact CD1-CG 4.48Å; L79-K83 HydrophobicContact CG-CD 4.26Å; L79-K83 WeakPolarHBondContact O-CB 3.01Å; L79-K83 WeakPolarHBondContact O-CG 3.06Å; L79-K83 PolarHBondContact O-N 3.02Å; E80-K83 PolarHBondContact O-N 3.26Å; K83-Y85 PolarHBondContact O-N 2.84Å; K83-R86 PolarHBondContact O-N 2.91Å; K83-R86 VanDerWaalsContact O-N 3.15Å; K83-E87 WeakPolarHBondContact O-CG 3.17Å; K83-E87 PolarHBondContact O-N 3.29Å
84A98.1Very high97.1Very high56 Ų5681.2 Ų81.246%0.46339%0.391SS..Hα-helixtrans-59.2-36.1178.400000112.3E80 K88E80-A84 WeakPolarHBondContact O-CB 3.16Å; E80-A84 PolarHBondContact O-N 3.26Å; A84-K88 PolarHBondContact O-N 3.42Å; A84-K88 VanDerWaalsContact O-N 3.1Å
85Y98.3Very high97.4Very high128 Ų12882.5 Ų82.550%0.50239%0.388SS..Hα-helixtrans-74-38.7176.5-164-114.8000112.8I63 K81 V82 K83 K88 I89I63-Y85 HydrophobicContact CD1-CD1 3.85Å; I63-Y85 HydrophobicContact CG1-CD1 4Å; K81-Y85 PolarHBondContact O-N 2.86Å; K81-Y85 VanDerWaalsContact O-N 3.08Å; V82-Y85 PolarHBondContact O-N 2.92Å; K83-Y85 PolarHBondContact O-N 2.84Å; Y85-K88 HydrophobicContact CD2-CD 4.37Å; Y85-K88 HydrophobicContact CE2-CD 4.37Å; Y85-K88 WeakPolarHBondContact O-CB 3.41Å; Y85-K88 PolarHBondContact O-N 3.27Å; Y85-I89 HydrophobicContact CD1-CD1 3.9Å; Y85-I89 HydrophobicContact CE1-CD1 3.7Å; Y85-I89 HydrophobicContact CE1-CG1 4.48Å; Y85-I89 PolarHBondContact O-N 3.23Å; Y85-I89 VanDerWaalsContact O-N 3.13Å
86R98.1Very high97.7Very high44 Ų4479.4 Ų79.417%0.16637%0.372CS..Hα-helixtrans-57.3-51.2171.1-179.5-176.354.272.67.3110.8I63 S64 E67 V82 K83 K88 I89 E90I63-R86 HydrophobicContact CG1-CB 4.23Å; I63-R86 HydrophobicContact CG2-CB 3.78Å; I63-R86 HydrophobicContact CG2-CG 3.95Å; S64-R86 WeakPolarHBondContact OG-CD 3.31Å; E67-R86 IonicContact OE1-NH2 3.48Å; E67-R86 VanDerWaalsContact OE2-CD 3.32Å; E67-R86 WeakPolarHBondContact OE2-CD 3.05Å; E67-R86 IonicContact OE2-CZ 3.36Å; E67-R86 IonicContact OE2-NE 3.12Å; E67-R86 PolarHBondContact OE2-NE 2.92Å; E67-R86 IonicContact OE2-NH2 2.83Å; V82-R86 PolarHBondContact O-N 3.17Å; K83-R86 PolarHBondContact O-N 2.91Å; K83-R86 VanDerWaalsContact O-N 3.15Å; R86-K88 PolarHBondContact O-N 3.38Å; R86-I89 WeakPolarHBondContact O-CB 3.37Å; R86-I89 PolarHBondContact O-N 3.45Å; R86-E90 HydrophobicContact CG-CG 4.46Å; R86-E90 IonicContact CZ-OE1 3.29Å; R86-E90 IonicContact NH1-OE1 3.67Å; R86-E90 PolarHBondContact NH1-OE1 3.47Å; R86-E90 IonicContact NH1-OE2 2.68Å; R86-E90 PolarHBondContact NH1-OE2 2.95Å; R86-E90 WeakPolarHBondContact O-CG 3.4Å; R86-E90 PolarHBondContact O-N 3.39Å
87E97.6Very high97.9Very high86 Ų8671.7 Ų71.740%0.40234%0.336SS..Hα-helixtrans-61.4-32.5179.5-71173.7-170.500112.8K83 E90 K91K83-E87 WeakPolarHBondContact O-CG 3.17Å; K83-E87 PolarHBondContact O-N 3.29Å; E87-E90 PolarHBondContact O-N 3.04Å; E87-K91 WeakPolarHBondContact O-CG 3.18Å; E87-K91 PolarHBondContact O-N 3.28Å; E87-K91 VanDerWaalsContact O-N 3.07Å
88K98.4Very high98Very high109 Ų10967.1 Ų67.147%0.47432%0.319SS..Hα-helixtrans-62.6-47.9172.1-175.4-173.1176.5-161.30111.1A84 Y85 R86 E90 K91 E92A84-K88 PolarHBondContact O-N 3.42Å; A84-K88 VanDerWaalsContact O-N 3.1Å; Y85-K88 HydrophobicContact CD2-CD 4.37Å; Y85-K88 HydrophobicContact CE2-CD 4.37Å; Y85-K88 WeakPolarHBondContact O-CB 3.41Å; Y85-K88 PolarHBondContact O-N 3.27Å; R86-K88 PolarHBondContact O-N 3.38Å; K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 PolarHBondContact O-N 3.13Å; K88-K91 PolarHBondContact O-N 3.37Å; K88-E92 WeakPolarHBondContact CE-OE1 3.47Å; K88-E92 IonicContact NZ-OE1 2.8Å; K88-E92 WeakPolarHBondContact O-CG 3.27Å; K88-E92 PolarHBondContact O-N 3.41Å
89I98.5Very high98.1Very high5 Ų565.8 Ų65.83%0.02632%0.316CS..Hα-helixtrans-63.2-38.9178.2-66.3162.9000110.7R56 W60 I63 Y85 R86 K91 E92 L93R56-I89 WeakPolarHBondContact O-CG2 3.47Å; W60-I89 HydrophobicContact CB-CG2 3.8Å; I63-I89 HydrophobicContact CB-CD1 4.4Å; I63-I89 HydrophobicContact CG2-CD1 3.88Å; Y85-I89 HydrophobicContact CD1-CD1 3.9Å; Y85-I89 HydrophobicContact CE1-CD1 3.7Å; Y85-I89 HydrophobicContact CE1-CG1 4.48Å; Y85-I89 PolarHBondContact O-N 3.23Å; Y85-I89 VanDerWaalsContact O-N 3.13Å; R86-I89 WeakPolarHBondContact O-CB 3.37Å; R86-I89 PolarHBondContact O-N 3.45Å; I89-K91 PolarHBondContact O-N 3.32Å; I89-E92 PolarHBondContact O-N 3.02Å; I89-L93 WeakPolarHBondContact O-CB 3.47Å; I89-L93 PolarHBondContact O-N 3.43Å
90E98.2Very high98.2Very high31 Ų3164.4 Ų64.415%0.14531%0.309CS..Hα-helixtrans-60.1-44.7175.9-69.6174.4170.300112W60 R86 E87 K88 E92 L93 E94 V137W60-E90 VanDerWaalsContact CD1-CG 3.47Å; W60-E90 PolarHBondContact NE1-OE1 3.12Å; R86-E90 HydrophobicContact CG-CG 4.46Å; R86-E90 IonicContact CZ-OE1 3.29Å; R86-E90 IonicContact NH1-OE1 3.67Å; R86-E90 PolarHBondContact NH1-OE1 3.47Å; R86-E90 IonicContact NH1-OE2 2.68Å; R86-E90 PolarHBondContact NH1-OE2 2.95Å; R86-E90 WeakPolarHBondContact O-CG 3.4Å; R86-E90 PolarHBondContact O-N 3.39Å; E87-E90 PolarHBondContact O-N 3.04Å; K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 PolarHBondContact O-N 3.13Å; E90-E92 VanDerWaalsContact C-N 3.35Å; E90-E92 PolarHBondContact O-N 3.35Å; E90-L93 PolarHBondContact O-N 3.08Å; E90-E94 VanDerWaalsContact O-CB 3.28Å; E90-E94 WeakPolarHBondContact O-CB 3.31Å; E90-E94 PolarHBondContact O-N 3.22Å; E90-V137 HydrophobicContact CG-CB 4.13Å
91K98.1Very high98.2Very high134 Ų13458.1 Ų58.158%0.58328%0.279SS*.Hα-helixtrans-63.7-39.4176.1-72.5169.8-177.91700112.3E87 K88 I89 T95E87-K91 WeakPolarHBondContact O-CG 3.18Å; E87-K91 PolarHBondContact O-N 3.28Å; E87-K91 VanDerWaalsContact O-N 3.07Å; K88-K91 PolarHBondContact O-N 3.37Å; I89-K91 PolarHBondContact O-N 3.32Å; K91-T95 WeakPolarHBondContact O-CB 3.49Å; K91-T95 PolarHBondContact O-N 3.27Å; K91-T95 PolarHBondContact O-OG1 3.04Å
92E98.4Very high98.3Very high75 Ų7552.1 Ų52.135%0.3526%0.26SS..Hα-helixtrans-65.2-45.2175.7-71.2172.4-173.400111.4K88 I89 E90 T95 V96K88-E92 WeakPolarHBondContact CE-OE1 3.47Å; K88-E92 IonicContact NZ-OE1 2.8Å; K88-E92 WeakPolarHBondContact O-CG 3.27Å; K88-E92 PolarHBondContact O-N 3.41Å; I89-E92 PolarHBondContact O-N 3.02Å; E90-E92 VanDerWaalsContact C-N 3.35Å; E90-E92 PolarHBondContact O-N 3.35Å; E92-T95 PolarHBondContact O-N 3.48Å; E92-V96 WeakPolarHBondContact O-CG2 3.15Å; E92-V96 PolarHBondContact O-N 3.16Å; E92-V96 VanDerWaalsContact O-N 3.16Å
93L98.3Very high98.3Very high0 Ų051.6 Ų51.60%026%0.256CS..Hα-helixtrans-61.1-47.9175.4-176.4156.2000110.9R56 R57 I89 E90 T95 V96 C97 L134 V137R56-L93 HydrophobicContact CB-CB 4.29Å; R57-L93 HydrophobicContact CB-CD1 4.48Å; R57-L93 HydrophobicContact CG-CD1 3.5Å; I89-L93 WeakPolarHBondContact O-CB 3.47Å; I89-L93 PolarHBondContact O-N 3.43Å; E90-L93 PolarHBondContact O-N 3.08Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 3.43Å; L93-V96 PolarHBondContact O-N 3.17Å; L93-C97 WeakPolarHBondContact O-CB 3.26Å; L93-C97 PolarHBondContact O-N 2.84Å; L93-C97 PolarHBondContact O-SG 3.42Å; L93-C97 VanDerWaalsContact O-SG 3.41Å; L93-L134 HydrophobicContact CD2-CD2 4.21Å; L93-V137 HydrophobicContact CD1-CG1 4.06Å; L93-V137 HydrophobicContact CD2-CG2 4Å
94E98Very high98.4Very high65 Ų6547.8 Ų47.830%0.30424%0.24SC..Hα-helixtrans-58.2-44.6178.3173.2172.5-165.500111.9E90 V96 C97 N98 L134 K142E90-E94 VanDerWaalsContact O-CB 3.28Å; E90-E94 WeakPolarHBondContact O-CB 3.31Å; E90-E94 PolarHBondContact O-N 3.22Å; E94-V96 VanDerWaalsContact C-N 3.35Å; E94-V96 PolarHBondContact O-N 2.98Å; E94-C97 PolarHBondContact O-N 2.92Å; E94-N98 VanDerWaalsContact CG-ND2 3.26Å; E94-N98 WeakPolarHBondContact CG-ND2 3.41Å; E94-N98 VanDerWaalsContact O-CB 3.31Å; E94-N98 WeakPolarHBondContact O-CB 3.27Å; E94-N98 VanDerWaalsContact O-CG 3.29Å; E94-N98 PolarHBondContact O-N 3.2Å; E94-N98 PolarHBondContact O-ND2 3Å; E94-L134 HydrophobicContact CB-CD2 4.09Å; E94-L134 HydrophobicContact CG-CD2 4.17Å; E94-K142 IonicContact OE1-NZ 3.15Å; E94-K142 PolarHBondContact OE1-NZ 3.29Å; E94-K142 IonicContact OE2-NZ 3.69Å; E94-K142 PolarHBondContact OE2-NZ 2.6Å
95T98.5Very high98.4Very high85 Ų8547.9 Ų47.952%0.52123%0.233SC..Hα-helixtrans-58.7-48178.4-59.70000110.8K91 E92 L93 N98 D99K91-T95 WeakPolarHBondContact O-CB 3.49Å; K91-T95 PolarHBondContact O-N 3.27Å; K91-T95 PolarHBondContact O-OG1 3.04Å; E92-T95 PolarHBondContact O-N 3.48Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 3.43Å; T95-N98 PolarHBondContact O-N 3Å; T95-D99 WeakPolarHBondContact O-CB 3.41Å; T95-D99 PolarHBondContact O-N 3.21Å
96V98.5Very high98.3Very high15 Ų1548 Ų489%0.09124%0.236CC..Hα-helixtrans-66.8-42.9-179.5177.50000111.6Y49 V52 V53 E92 L93 E94 D99 V100Y49-V96 HydrophobicContact CD1-CG1 3.74Å; Y49-V96 HydrophobicContact CE1-CG1 4.09Å; V52-V96 HydrophobicContact CB-CG1 4.28Å; V52-V96 HydrophobicContact CG1-CB 4.27Å; V52-V96 HydrophobicContact CG1-CG1 3.5Å; V52-V96 HydrophobicContact CG1-CG2 3.77Å; V53-V96 HydrophobicContact CG2-CB 4.1Å; V53-V96 HydrophobicContact CG2-CG1 3.41Å; V53-V96 VanDerWaalsContact CG2-CG1 3.41Å; E92-V96 WeakPolarHBondContact O-CG2 3.15Å; E92-V96 PolarHBondContact O-N 3.16Å; E92-V96 VanDerWaalsContact O-N 3.16Å; L93-V96 PolarHBondContact O-N 3.17Å; E94-V96 VanDerWaalsContact C-N 3.35Å; E94-V96 PolarHBondContact O-N 2.98Å; V96-D99 WeakPolarHBondContact O-CB 3.48Å; V96-D99 PolarHBondContact O-N 2.87Å; V96-V100 PolarHBondContact O-N 2.86Å
97C98.7Very high98.3Very high0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-61.6-45.6176.5-73.60000111.3L93 E94 D99 V100 L101 Y130 L134L93-C97 WeakPolarHBondContact O-CB 3.26Å; L93-C97 PolarHBondContact O-N 2.84Å; L93-C97 PolarHBondContact O-SG 3.42Å; L93-C97 VanDerWaalsContact O-SG 3.41Å; E94-C97 PolarHBondContact O-N 2.92Å; C97-D99 VanDerWaalsContact C-N 3.3Å; C97-D99 PolarHBondContact O-N 2.99Å; C97-V100 WeakPolarHBondContact O-CG1 3.49Å; C97-V100 PolarHBondContact O-N 3.36Å; C97-L101 WeakPolarHBondContact O-CB 3.35Å; C97-L101 WeakPolarHBondContact O-CD1 3.38Å; C97-L101 WeakPolarHBondContact O-CG 3.46Å; C97-L101 PolarHBondContact O-N 2.82Å; C97-Y130 HydrophobicContact CB-CD1 4.46Å; C97-L134 HydrophobicContact CB-CD1 4.04Å; C97-L134 HydrophobicContact CB-CD2 3.71Å; C97-L134 HydrophobicContact CB-CG 3.73Å
98N98.5Very high98.4Very high71 Ų7144.6 Ų44.638%0.3822%0.221SC..Hα-helixtrans-66.4-33.1179.1-74.1-28.1000112.4E94 T95 A102E94-N98 VanDerWaalsContact CG-ND2 3.26Å; E94-N98 WeakPolarHBondContact CG-ND2 3.41Å; E94-N98 VanDerWaalsContact O-CB 3.31Å; E94-N98 WeakPolarHBondContact O-CB 3.27Å; E94-N98 VanDerWaalsContact O-CG 3.29Å; E94-N98 PolarHBondContact O-N 3.2Å; E94-N98 PolarHBondContact O-ND2 3Å; T95-N98 PolarHBondContact O-N 3Å; N98-A102 VanDerWaalsContact O-CB 3.29Å; N98-A102 WeakPolarHBondContact O-CB 3.39Å; N98-A102 PolarHBondContact O-N 3.46Å
99D98.4Very high98.3Very high58 Ų5840.6 Ų40.631%0.3121%0.205SC..Hα-helixtrans-59.6-52.4173.2-95.5-14.5000111.7K28 Y49 T95 V96 C97 A102 L103K28-D99 VanDerWaalsContact NZ-CG 3.25Å; K28-D99 IonicContact NZ-OD1 3.59Å; K28-D99 PolarHBondContact NZ-OD1 3.12Å; K28-D99 IonicContact NZ-OD2 2.66Å; K28-D99 PolarHBondContact NZ-OD2 2.66Å; Y49-D99 HydrophobicContact CE1-CB 4.27Å; T95-D99 WeakPolarHBondContact O-CB 3.41Å; T95-D99 PolarHBondContact O-N 3.21Å; V96-D99 WeakPolarHBondContact O-CB 3.48Å; V96-D99 PolarHBondContact O-N 2.87Å; C97-D99 VanDerWaalsContact C-N 3.3Å; C97-D99 PolarHBondContact O-N 2.99Å; D99-A102 PolarHBondContact O-N 3.45Å; D99-L103 WeakPolarHBondContact O-CG 3.32Å; D99-L103 PolarHBondContact O-N 2.92Å; D99-L103 VanDerWaalsContact O-N 3.11Å
100V98.5Very high98.2Very high0 Ų047.9 Ų47.90%024%0.236CC..Hα-helixtrans-69.8-36.8179.662.60000112.3Y49 V96 C97 A102 L103 L104 M126 Y130Y49-V100 HydrophobicContact CD1-CB 3.69Å; Y49-V100 HydrophobicContact CD1-CG1 4.17Å; Y49-V100 HydrophobicContact CD1-CG2 4.34Å; Y49-V100 HydrophobicContact CD2-CB 4.26Å; Y49-V100 HydrophobicContact CD2-CG2 4.13Å; Y49-V100 HydrophobicContact CE1-CB 3.8Å; Y49-V100 HydrophobicContact CE2-CB 4.37Å; Y49-V100 HydrophobicContact CE2-CG2 4.48Å; Y49-V100 HydrophobicContact CG-CB 3.92Å; Y49-V100 HydrophobicContact CG-CG2 4.05Å; V96-V100 PolarHBondContact O-N 2.86Å; C97-V100 WeakPolarHBondContact O-CG1 3.49Å; C97-V100 PolarHBondContact O-N 3.36Å; V100-A102 VanDerWaalsContact C-N 3.3Å; V100-A102 PolarHBondContact O-N 3.41Å; V100-L103 WeakPolarHBondContact O-CB 3.35Å; V100-L103 PolarHBondContact O-N 3.26Å; V100-L103 VanDerWaalsContact O-N 3.13Å; V100-L104 HydrophobicContact CG2-CD1 4.09Å; V100-L104 HydrophobicContact CG2-CG 4.26Å; V100-L104 WeakPolarHBondContact O-CB 3.35Å; V100-L104 VanDerWaalsContact O-CG 3.23Å; V100-L104 WeakPolarHBondContact O-CG 3.25Å; V100-L104 PolarHBondContact O-N 3.49Å; V100-M126 HydrophobicContact CG2-CE 4.26Å; V100-Y130 HydrophobicContact CB-CD2 4.44Å; V100-Y130 HydrophobicContact CB-CE2 4.36Å; V100-Y130 HydrophobicContact CG1-CD1 3.46Å; V100-Y130 VanDerWaalsContact CG1-CD1 3.46Å; V100-Y130 HydrophobicContact CG1-CD2 3.47Å; V100-Y130 VanDerWaalsContact CG1-CD2 3.47Å; V100-Y130 HydrophobicContact CG1-CE1 3.66Å; V100-Y130 HydrophobicContact CG1-CE2 3.7Å; V100-Y130 HydrophobicContact CG1-CG 3.4Å; V100-Y130 HydrophobicContact CG2-CD2 4.08Å; V100-Y130 HydrophobicContact CG2-CE2 3.76Å
101L98.8Very high98Very high5 Ų549.9 Ų49.93%0.02625%0.248CC..Hα-helixtrans-59.7-42.4174.1-72.6169.7000111.2C97 L103 L104 D105 K127 Y131 L134C97-L101 WeakPolarHBondContact O-CB 3.35Å; C97-L101 WeakPolarHBondContact O-CD1 3.38Å; C97-L101 WeakPolarHBondContact O-CG 3.46Å; C97-L101 PolarHBondContact O-N 2.82Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.06Å; L101-L104 PolarHBondContact O-N 3.4Å; L101-D105 WeakPolarHBondContact O-CB 3.36Å; L101-D105 PolarHBondContact O-N 2.94Å; L101-K127 HydrophobicContact CD2-CB 4.4Å; L101-K127 HydrophobicContact CD2-CG 3.8Å; L101-Y131 HydrophobicContact CD1-CD1 4.03Å; L101-Y131 HydrophobicContact CD1-CE1 3.74Å; L101-Y131 HydrophobicContact CD1-CE2 4.27Å; L101-Y131 HydrophobicContact CD1-CG 4.39Å; L101-Y131 HydrophobicContact CD2-CD2 3.79Å; L101-Y131 HydrophobicContact CD2-CE2 3.58Å; L101-Y131 HydrophobicContact CD2-CG 4.34Å; L101-L134 HydrophobicContact CD1-CD1 3.7Å
102A98.6Very high97.9Very high35 Ų3544.5 Ų44.529%0.28923%0.227SC..Hα-helixtrans-63.6-37.9175.100000112.2N98 D99 V100 K106N98-A102 VanDerWaalsContact O-CB 3.29Å; N98-A102 WeakPolarHBondContact O-CB 3.39Å; N98-A102 PolarHBondContact O-N 3.46Å; D99-A102 PolarHBondContact O-N 3.45Å; V100-A102 VanDerWaalsContact C-N 3.3Å; V100-A102 PolarHBondContact O-N 3.41Å; A102-K106 WeakPolarHBondContact O-CB 3.37Å; A102-K106 VanDerWaalsContact O-CG 3.24Å; A102-K106 WeakPolarHBondContact O-CG 3.24Å; A102-K106 PolarHBondContact O-N 2.82Å
103L98.7Very high97.6Very high2 Ų244.8 Ų44.81%0.0123%0.231CC..Hα-helixtrans-65.2-46.4175.3-68.2176.4000112.1K28 T31 E32 L45 Y49 D99 V100 L101 D105 F107 L108K28-L103 HydrophobicContact CB-CD1 4.03Å; K28-L103 HydrophobicContact CG-CD1 4.01Å; K28-L103 HydrophobicContact CG-CD2 4.14Å; T31-L103 HydrophobicContact CG2-CB 4.11Å; T31-L103 HydrophobicContact CG2-CD2 4.01Å; T31-L103 HydrophobicContact CG2-CG 4.47Å; E32-L103 HydrophobicContact CG-CD2 3.78Å; L45-L103 HydrophobicContact CD1-CD1 4.42Å; Y49-L103 HydrophobicContact CE2-CD1 4.03Å; Y49-L103 WeakPolarHBondContact OH-CD1 3.42Å; D99-L103 WeakPolarHBondContact O-CG 3.32Å; D99-L103 PolarHBondContact O-N 2.92Å; D99-L103 VanDerWaalsContact O-N 3.11Å; V100-L103 WeakPolarHBondContact O-CB 3.35Å; V100-L103 PolarHBondContact O-N 3.26Å; V100-L103 VanDerWaalsContact O-N 3.13Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.06Å; L103-D105 PolarHBondContact O-N 2.96Å; L103-F107 HydrophobicContact CD2-CD2 3.88Å; L103-F107 HydrophobicContact CD2-CE2 4.02Å; L103-F107 PolarHBondContact O-N 2.89Å; L103-L108 PolarHBondContact O-N 3.41Å
104L98.6Very high97.1Very high0 Ų051.8 Ų51.80%027%0.268CS..Iπ-helixtrans-57.6-50.4178.2-69.9167.4000110.6V100 L101 L108 I109 Y123 M126 K127 Y130V100-L104 HydrophobicContact CG2-CD1 4.09Å; V100-L104 HydrophobicContact CG2-CG 4.26Å; V100-L104 WeakPolarHBondContact O-CB 3.35Å; V100-L104 VanDerWaalsContact O-CG 3.23Å; V100-L104 WeakPolarHBondContact O-CG 3.25Å; V100-L104 PolarHBondContact O-N 3.49Å; L101-L104 PolarHBondContact O-N 3.4Å; L104-L108 HydrophobicContact CD2-CD1 3.95Å; L104-L108 PolarHBondContact O-N 2.94Å; L104-I109 HydrophobicContact CB-CD1 4Å; L104-I109 HydrophobicContact CB-CG1 4.44Å; L104-I109 WeakPolarHBondContact O-CB 3.39Å; L104-I109 WeakPolarHBondContact O-CG1 3.44Å; L104-I109 PolarHBondContact O-N 2.77Å; L104-Y123 HydrophobicContact CD2-CD1 3.76Å; L104-Y123 HydrophobicContact CD2-CG 4.13Å; L104-M126 HydrophobicContact CD1-CB 4.05Å; L104-M126 HydrophobicContact CD2-CB 4.25Å; L104-K127 HydrophobicContact CD1-CB 4.06Å; L104-Y130 HydrophobicContact CD1-CD2 4.39Å
105D98.3Very high96.8Very high57 Ų5757.2 Ų57.231%0.30529%0.291SS..Iπ-helixtrans-73-38.1-176-74.4-23.2000113.3L101 L103 K110 K127L101-D105 WeakPolarHBondContact O-CB 3.36Å; L101-D105 PolarHBondContact O-N 2.94Å; L103-D105 PolarHBondContact O-N 2.96Å; D105-K110 VanDerWaalsContact O-CB 3.26Å; D105-K110 WeakPolarHBondContact O-CB 3.42Å; D105-K127 VanDerWaalsContact OD1-CE 3.31Å; D105-K127 WeakPolarHBondContact OD1-CE 3.27Å; D105-K127 IonicContact OD1-NZ 2.7Å; D105-K127 PolarHBondContact OD1-NZ 3.27Å; D105-K127 IonicContact OD2-NZ 3.12Å; D105-K127 PolarHBondContact OD2-NZ 2.83Å
106K97.8Very high96.6Very high131 Ų13156.1 Ų56.157%0.5728%0.28SS*.Iπ-helixtrans-85.8-34-172.9-66.6176.2-177.7175.90114A102A102-K106 WeakPolarHBondContact O-CB 3.37Å; A102-K106 VanDerWaalsContact O-CG 3.24Å; A102-K106 WeakPolarHBondContact O-CG 3.24Å; A102-K106 PolarHBondContact O-N 2.82Å
107F97.9Very high96.5Very high50 Ų5059.3 Ų59.322%0.21929%0.291CS..Iπ-helixtrans-123.8-24.3-167.4-56.4-79.9000114.4T31 E32 N34 L103 N111T31-F107 HydrophobicContact CG2-CB 3.82Å; T31-F107 HydrophobicContact CG2-CD2 4.42Å; T31-F107 HydrophobicContact CG2-CG 4.38Å; E32-F107 HydrophobicContact CB-CZ 4.31Å; E32-F107 HydrophobicContact CG-CD2 4.46Å; E32-F107 HydrophobicContact CG-CE2 3.8Å; E32-F107 HydrophobicContact CG-CZ 3.9Å; N34-F107 HydrophobicContact CB-CD1 3.98Å; N34-F107 HydrophobicContact CB-CE1 4.42Å; N34-F107 WeakPolarHBondContact OD1-CD1 3.17Å; L103-F107 HydrophobicContact CD2-CD2 3.88Å; L103-F107 HydrophobicContact CD2-CE2 4.02Å; L103-F107 PolarHBondContact O-N 2.89Å; F107-N111 WeakPolarHBondContact O-CB 3.49Å; F107-N111 PolarHBondContact O-ND2 3.42Å
108L98.2Very high96.4Very high9 Ų962.2 Ų62.25%0.04731%0.305CS..Iπ-helixtrans-107.7-65.7-170.5-59.7172.1000112.2T31 L37 L45 L103 L104 K110 N111 C112 Y123T31-L108 HydrophobicContact CG2-CD1 3.93Å; T31-L108 HydrophobicContact CG2-CD2 3.84Å; T31-L108 HydrophobicContact CG2-CG 3.78Å; L37-L108 HydrophobicContact CD1-CD2 3.8Å; L37-L108 HydrophobicContact CG-CD2 3.89Å; L45-L108 HydrophobicContact CD2-CD1 3.52Å; L103-L108 PolarHBondContact O-N 3.41Å; L104-L108 HydrophobicContact CD2-CD1 3.95Å; L104-L108 PolarHBondContact O-N 2.94Å; L108-K110 PolarHBondContact O-N 3.11Å; L108-N111 PolarHBondContact O-N 3.44Å; L108-C112 PolarHBondContact O-N 2.82Å; L108-C112 PolarHBondContact O-SG 2.89Å; L108-Y123 HydrophobicContact CB-CD1 4.05Å; L108-Y123 HydrophobicContact CB-CD2 3.82Å; L108-Y123 HydrophobicContact CB-CE1 4.06Å; L108-Y123 HydrophobicContact CB-CE2 3.86Å; L108-Y123 HydrophobicContact CB-CG 3.95Å; L108-Y123 HydrophobicContact CD1-CD1 3.95Å; L108-Y123 HydrophobicContact CD1-CE1 3.72Å; L108-Y123 HydrophobicContact CD2-CE1 4.15Å; L108-Y123 HydrophobicContact CD2-CE2 4.37Å; L108-Y123 HydrophobicContact CG-CE1 4.19Å
109I97.8Very high96.4Very high25 Ų2559.6 Ų59.613%0.12829%0.292CS..THydrogen-bonded Turntrans-62-47.4-179.7-63.1170.9000110.1L104 N111 C112 Y123 L124 K127L104-I109 HydrophobicContact CB-CD1 4Å; L104-I109 HydrophobicContact CB-CG1 4.44Å; L104-I109 WeakPolarHBondContact O-CB 3.39Å; L104-I109 WeakPolarHBondContact O-CG1 3.44Å; L104-I109 PolarHBondContact O-N 2.77Å; I109-N111 PolarHBondContact O-N 2.96Å; I109-C112 PolarHBondContact O-N 3.31Å; I109-Y123 HydrophobicContact CG1-CG 4.48Å; I109-L124 HydrophobicContact CD1-CD2 4.02Å; I109-L124 HydrophobicContact CD1-CG 4.42Å; I109-L124 HydrophobicContact CG2-CD2 4.35Å; I109-K127 HydrophobicContact CD1-CB 4.26Å; I109-K127 HydrophobicContact CD1-CD 3.76Å
110K95.4Very high96.4Very high158 Ų15859.7 Ų59.769%0.68729%0.29SS*.THydrogen-bonded Turntrans-58.9-30.7-179.9177.2-179.5175.9-171.80113.6D105 L108D105-K110 VanDerWaalsContact O-CB 3.26Å; D105-K110 WeakPolarHBondContact O-CB 3.42Å; L108-K110 PolarHBondContact O-N 3.11Å
111N95Very high96.4Very high72 Ų7259.7 Ų59.739%0.38529%0.29SS..THydrogen-bonded Turntrans-1000.9-175.7-67.1-31.7000113.4N34 F107 L108 I109 N113N34-N111 PolarHBondContact OD1-ND2 3.26Å; F107-N111 WeakPolarHBondContact O-CB 3.49Å; F107-N111 PolarHBondContact O-ND2 3.42Å; L108-N111 PolarHBondContact O-N 3.44Å; I109-N111 PolarHBondContact O-N 2.96Å; N111-N113 PolarHBondContact O-N 2.92Å
112C95.2Very high96.4Very high22 Ų2260.6 Ų60.615%0.14929%0.294CS..  trans-69126.1170.6-71.80000109.6L108 I109 K120L108-C112 PolarHBondContact O-N 2.82Å; L108-C112 PolarHBondContact O-SG 2.89Å; I109-C112 PolarHBondContact O-N 3.31Å; C112-K120 HydrophobicContact CB-CB 4.11Å; C112-K120 HydrophobicContact CB-CG 4.46Å
113N92.2Very high96.4Very high80 Ų8059.2 Ų59.243%0.42828%0.281SS..  trans-81.8170.3169.46845.1000111.7N111 F115 Q116N111-N113 PolarHBondContact O-N 2.92Å; N113-F115 PolarHBondContact O-N 3.37Å; N113-F115 VanDerWaalsContact O-N 3.1Å; N113-F115 PolarHBondContact OD1-N 3.03Å; N113-Q116 PolarHBondContact ND2-OE1 3.06Å; N113-Q116 PolarHBondContact O-N 3.49Å; N113-Q116 VanDerWaalsContact OD1-CG 3.3Å; N113-Q116 WeakPolarHBondContact OD1-CG 3.4Å; N113-Q116 PolarHBondContact OD1-N 2.73Å; N113-Q116 VanDerWaalsContact OD1-N 3.08Å
114D87.8Confident96.4Very high147 Ų14759.1 Ų59.179%0.78628%0.281SS*.THydrogen-bonded Turntrans-61.9-20.7-175.4-61.2-25.4000114
115F92.2Very high96.4Very high179 Ų17960.7 Ų60.779%0.78529%0.287SS*.THydrogen-bonded Turntrans-92.7-10178.7-53.3-76.3000113.1N113 Y117N113-F115 PolarHBondContact O-N 3.37Å; N113-F115 VanDerWaalsContact O-N 3.1Å; N113-F115 PolarHBondContact OD1-N 3.03Å; F115-Y117 VanDerWaalsContact C-N 3.26Å; F115-Y117 WeakPolarHBondContact O-CD1 3.3Å; F115-Y117 PolarHBondContact O-N 2.82Å
116Q94.5Very high96.4Very high63 Ų6358.2 Ų58.229%0.29427%0.274SS..  trans-91.840.5-179.7-74.3173.9-42.800112.1N113 E118 S119 K120N113-Q116 PolarHBondContact ND2-OE1 3.06Å; N113-Q116 PolarHBondContact O-N 3.49Å; N113-Q116 VanDerWaalsContact OD1-CG 3.3Å; N113-Q116 WeakPolarHBondContact OD1-CG 3.4Å; N113-Q116 PolarHBondContact OD1-N 2.73Å; N113-Q116 VanDerWaalsContact OD1-N 3.08Å; Q116-E118 VanDerWaalsContact C-N 3.31Å; Q116-E118 PolarHBondContact O-N 3.02Å; Q116-S119 PolarHBondContact O-N 3.47Å; Q116-S119 VanDerWaalsContact O-N 3.08Å; Q116-K120 PolarHBondContact O-N 3.14Å
117Y96.3Very high96.4Very high81 Ų8153.9 Ų53.932%0.31826%0.255SS..Hα-helixtrans-56.8-40.2-174.856-94.6000112.7F115 S119 K120 V121 H164 M165F115-Y117 VanDerWaalsContact C-N 3.26Å; F115-Y117 WeakPolarHBondContact O-CD1 3.3Å; F115-Y117 PolarHBondContact O-N 2.82Å; Y117-S119 VanDerWaalsContact C-N 3.32Å; Y117-S119 PolarHBondContact O-N 3.14Å; Y117-K120 PolarHBondContact O-N 2.85Å; Y117-V121 WeakPolarHBondContact O-CB 3.41Å; Y117-V121 VanDerWaalsContact O-CG2 3.29Å; Y117-V121 WeakPolarHBondContact O-CG2 3.43Å; Y117-V121 PolarHBondContact O-N 2.79Å; Y117-H164 HydrophobicContact CD1-CB 4.05Å; Y117-H164 HydrophobicContact CD2-CB 3.54Å; Y117-H164 HydrophobicContact CE1-CB 4.41Å; Y117-H164 HydrophobicContact CE2-CB 3.95Å; Y117-H164 WeakPolarHBondContact CE2-O 3.48Å; Y117-H164 HydrophobicContact CG-CB 3.62Å; Y117-M165 HydrophobicContact CD2-CG 3.93Å; Y117-M165 HydrophobicContact CE2-CG 4.11Å
118E96.5Very high96.5Very high62 Ų6251.5 Ų51.529%0.2925%0.245SC..Hα-helixtrans-60.1-42177.3-67.5-176.3-179.500112.5Q116 F122 M165 H169 I171Q116-E118 VanDerWaalsContact C-N 3.31Å; Q116-E118 PolarHBondContact O-N 3.02Å; E118-F122 VanDerWaalsContact O-CB 3.27Å; E118-F122 WeakPolarHBondContact O-CB 3.49Å; E118-F122 PolarHBondContact O-N 3.37Å; E118-M165 HydrophobicContact CG-CE 4.07Å; E118-H169 IonicContact OE1-NE2 2.73Å; E118-H169 PolarHBondContact OE1-NE2 3.37Å; E118-I171 HydrophobicContact CB-CD1 4.34Å
119S97.4Very high96.5Very high16 Ų1651.4 Ų51.411%0.11224%0.244CC..Hα-helixtrans-68.5-43.4176.6-72.30000111.3R42 Q116 Y117 V121 F122 Y123R42-S119 VanDerWaalsContact NH1-CA 3.28Å; R42-S119 PolarHBondContact NH1-OG 3.01Å; Q116-S119 PolarHBondContact O-N 3.47Å; Q116-S119 VanDerWaalsContact O-N 3.08Å; Y117-S119 VanDerWaalsContact C-N 3.32Å; Y117-S119 PolarHBondContact O-N 3.14Å; S119-V121 PolarHBondContact O-N 3.38Å; S119-F122 PolarHBondContact O-N 3.16Å; S119-Y123 WeakPolarHBondContact O-CD2 3.37Å; S119-Y123 VanDerWaalsContact O-CG 3.24Å; S119-Y123 PolarHBondContact O-N 2.87Å
120K98Very high96.6Very high60 Ų6050.5 Ų50.526%0.26124%0.239SC..Hα-helixtrans-60.1-47.3177.1-169.4169.6176.9-1740111.6C112 Q116 Y117 Y123 L124 E156 I160C112-K120 HydrophobicContact CB-CB 4.11Å; C112-K120 HydrophobicContact CB-CG 4.46Å; Q116-K120 PolarHBondContact O-N 3.14Å; Y117-K120 PolarHBondContact O-N 2.85Å; K120-Y123 PolarHBondContact O-N 3.38Å; K120-L124 HydrophobicContact CG-CD1 3.82Å; K120-L124 HydrophobicContact CG-CG 4.45Å; K120-L124 WeakPolarHBondContact O-CB 3.16Å; K120-L124 VanDerWaalsContact O-CG 3.28Å; K120-L124 WeakPolarHBondContact O-CG 3.47Å; K120-L124 PolarHBondContact O-N 3.38Å; K120-E156 WeakPolarHBondContact CE-OE1 3.36Å; K120-E156 IonicContact NZ-OE1 3.74Å; K120-I160 HydrophobicContact CD-CD1 3.81Å; K120-I160 HydrophobicContact CG-CD1 4.07Å
121V98.6Very high96.7Very high0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-62.2-43.6175.8175.50000111.1Y117 S119 Y123 L124 K125 A157 I160 M165 I171 L175Y117-V121 WeakPolarHBondContact O-CB 3.41Å; Y117-V121 VanDerWaalsContact O-CG2 3.29Å; Y117-V121 WeakPolarHBondContact O-CG2 3.43Å; Y117-V121 PolarHBondContact O-N 2.79Å; S119-V121 PolarHBondContact O-N 3.38Å; V121-Y123 PolarHBondContact O-N 3.07Å; V121-L124 PolarHBondContact O-N 2.66Å; V121-K125 WeakPolarHBondContact O-CB 3.39Å; V121-K125 PolarHBondContact O-N 2.95Å; V121-A157 HydrophobicContact CG1-CB 4.36Å; V121-I160 HydrophobicContact CG2-CB 3.81Å; V121-I160 HydrophobicContact CG2-CG2 3.51Å; V121-M165 HydrophobicContact CB-SD 4.06Å; V121-M165 HydrophobicContact CG1-SD 4.03Å; V121-M165 HydrophobicContact CG2-SD 3.9Å; V121-I171 HydrophobicContact CB-CG2 4.33Å; V121-I171 HydrophobicContact CG1-CG2 3.73Å; V121-L175 HydrophobicContact CG1-CD2 4.04Å
122F98.4Very high96.9Very high23 Ų2342.3 Ų42.310%0.10120%0.199CC..Hα-helixtrans-58.9-47.6177.3-172.8-81.6000112.1R42 E118 S119 M126 I171R42-F122 HydrophobicContact CG-CD1 3.49Å; R42-F122 VanDerWaalsContact CG-CD1 3.49Å; R42-F122 HydrophobicContact CG-CE1 3.24Å; R42-F122 HydrophobicContact CG-CG 4.23Å; R42-F122 HydrophobicContact CG-CZ 3.83Å; E118-F122 VanDerWaalsContact O-CB 3.27Å; E118-F122 WeakPolarHBondContact O-CB 3.49Å; E118-F122 PolarHBondContact O-N 3.37Å; S119-F122 PolarHBondContact O-N 3.16Å; F122-M126 HydrophobicContact CD1-CG 4.25Å; F122-M126 HydrophobicContact CD1-SD 3.69Å; F122-M126 HydrophobicContact CE1-CG 4.11Å; F122-M126 HydrophobicContact CE1-SD 3.24Å; F122-M126 WeakPolarHBondContact CE1-SD 3.4Å; F122-M126 HydrophobicContact CZ-SD 4.22Å; F122-M126 WeakPolarHBondContact O-CG 3.42Å; F122-M126 PolarHBondContact O-N 3.14Å; F122-I171 HydrophobicContact CB-CD1 4.43Å; F122-I171 HydrophobicContact CB-CG2 4.44Å; F122-I171 HydrophobicContact CD2-CD1 4.1Å; F122-I171 HydrophobicContact CD2-CG1 4.24Å
123Y98.7Very high97Very high7 Ų742.4 Ų42.43%0.02720%0.196CC..Hα-helixtrans-70.8-39.5-179.2-61.9-45.9000112.8R42 L104 L108 I109 S119 K120 V121 M126 K127R42-Y123 WeakPolarHBondContact CD-OH 3.34Å; R42-Y123 HydrophobicContact CG-CD1 4.46Å; R42-Y123 HydrophobicContact CG-CE1 3.54Å; L104-Y123 HydrophobicContact CD2-CD1 3.76Å; L104-Y123 HydrophobicContact CD2-CG 4.13Å; L108-Y123 HydrophobicContact CB-CD1 4.05Å; L108-Y123 HydrophobicContact CB-CD2 3.82Å; L108-Y123 HydrophobicContact CB-CE1 4.06Å; L108-Y123 HydrophobicContact CB-CE2 3.86Å; L108-Y123 HydrophobicContact CB-CG 3.95Å; L108-Y123 HydrophobicContact CD1-CD1 3.95Å; L108-Y123 HydrophobicContact CD1-CE1 3.72Å; L108-Y123 HydrophobicContact CD2-CE1 4.15Å; L108-Y123 HydrophobicContact CD2-CE2 4.37Å; L108-Y123 HydrophobicContact CG-CE1 4.19Å; I109-Y123 HydrophobicContact CG1-CG 4.48Å; S119-Y123 WeakPolarHBondContact O-CD2 3.37Å; S119-Y123 VanDerWaalsContact O-CG 3.24Å; S119-Y123 PolarHBondContact O-N 2.87Å; K120-Y123 PolarHBondContact O-N 3.38Å; V121-Y123 PolarHBondContact O-N 3.07Å; Y123-M126 WeakPolarHBondContact O-CB 3.03Å; Y123-M126 PolarHBondContact O-N 3.43Å; Y123-K127 WeakPolarHBondContact O-CB 3.38Å; Y123-K127 PolarHBondContact O-N 2.89Å
124L98.8Very high97.3Very high0 Ų038.8 Ų38.80%018%0.177CC..Hα-helixtrans-66.1-41175.3-74.3167.4000111.6I109 K120 V121 M126 K127 G128 E156 A157 I160I109-L124 HydrophobicContact CD1-CD2 4.02Å; I109-L124 HydrophobicContact CD1-CG 4.42Å; I109-L124 HydrophobicContact CG2-CD2 4.35Å; K120-L124 HydrophobicContact CG-CD1 3.82Å; K120-L124 HydrophobicContact CG-CG 4.45Å; K120-L124 WeakPolarHBondContact O-CB 3.16Å; K120-L124 VanDerWaalsContact O-CG 3.28Å; K120-L124 WeakPolarHBondContact O-CG 3.47Å; K120-L124 PolarHBondContact O-N 3.38Å; V121-L124 PolarHBondContact O-N 2.66Å; L124-M126 VanDerWaalsContact C-N 3.34Å; L124-M126 PolarHBondContact O-N 2.88Å; L124-K127 WeakPolarHBondContact O-CB 3.46Å; L124-K127 PolarHBondContact O-N 3.01Å; L124-K127 VanDerWaalsContact O-N 3.17Å; L124-G128 PolarHBondContact O-N 3.34Å; L124-E156 HydrophobicContact CD1-CB 4.14Å; L124-E156 HydrophobicContact CD1-CG 3.73Å; L124-E156 HydrophobicContact CD2-CB 4.46Å; L124-E156 HydrophobicContact CD2-CG 4.43Å; L124-E156 WeakPolarHBondContact CD2-OE2 3.24Å; L124-A157 HydrophobicContact CB-CB 3.67Å; L124-A157 HydrophobicContact CD1-CB 4.47Å; L124-I160 HydrophobicContact CD1-CD1 3.8Å
125K98.7Very high97.8Very high33 Ų3331.9 Ų31.914%0.14314%0.14CC..Hα-helixtrans-56.5-49.3170.8179-167.2170.3-66.20110.8V121 K127 G128 D129 G174 L175 N178V121-K125 WeakPolarHBondContact O-CB 3.39Å; V121-K125 PolarHBondContact O-N 2.95Å; K125-K127 VanDerWaalsContact C-N 3.31Å; K125-K127 PolarHBondContact O-N 3.48Å; K125-G128 PolarHBondContact O-N 3.27Å; K125-D129 IonicContact NZ-OD2 2.76Å; K125-D129 PolarHBondContact NZ-OD2 3.44Å; K125-D129 PolarHBondContact O-N 3.49Å; K125-G174 WeakPolarHBondContact CE-O 3.25Å; K125-L175 HydrophobicContact CB-CD1 4.04Å; K125-L175 HydrophobicContact CD-CB 4.13Å; K125-L175 HydrophobicContact CG-CB 4.31Å; K125-L175 HydrophobicContact CG-CD1 4.01Å; K125-N178 PolarHBondContact NZ-ND2 2.93Å
126M98.7Very high98Very high5 Ų525.2 Ų25.23%0.02511%0.112CC..Hα-helixtrans-58.1-43.7175.5-76.8-177.970.700111.6V100 L104 F122 Y123 L124 G128 D129 Y130V100-M126 HydrophobicContact CG2-CE 4.26Å; L104-M126 HydrophobicContact CD1-CB 4.05Å; L104-M126 HydrophobicContact CD2-CB 4.25Å; F122-M126 HydrophobicContact CD1-CG 4.25Å; F122-M126 HydrophobicContact CD1-SD 3.69Å; F122-M126 HydrophobicContact CE1-CG 4.11Å; F122-M126 HydrophobicContact CE1-SD 3.24Å; F122-M126 WeakPolarHBondContact CE1-SD 3.4Å; F122-M126 HydrophobicContact CZ-SD 4.22Å; F122-M126 WeakPolarHBondContact O-CG 3.42Å; F122-M126 PolarHBondContact O-N 3.14Å; Y123-M126 WeakPolarHBondContact O-CB 3.03Å; Y123-M126 PolarHBondContact O-N 3.43Å; L124-M126 VanDerWaalsContact C-N 3.34Å; L124-M126 PolarHBondContact O-N 2.88Å; M126-G128 VanDerWaalsContact C-N 3.34Å; M126-G128 PolarHBondContact O-N 3.33Å; M126-D129 WeakPolarHBondContact O-CB 3.39Å; M126-D129 PolarHBondContact O-N 3.45Å; M126-D129 VanDerWaalsContact O-N 3.11Å; M126-Y130 HydrophobicContact CB-CD2 4.47Å; M126-Y130 HydrophobicContact CB-CE2 4.28Å; M126-Y130 HydrophobicContact CE-CE2 3.81Å; M126-Y130 WeakPolarHBondContact O-CD2 3.49Å; M126-Y130 PolarHBondContact O-N 2.98Å
127K98.9Very high98.1Very high40 Ų4023.1 Ų23.117%0.17410%0.103CC..Hα-helixtrans-57.6-46.9176.9-176.8174.8179.8172.20111.3L101 L104 D105 I109 Y123 L124 K125 D129 Y130 Y131 A153L101-K127 HydrophobicContact CD2-CB 4.4Å; L101-K127 HydrophobicContact CD2-CG 3.8Å; L104-K127 HydrophobicContact CD1-CB 4.06Å; D105-K127 VanDerWaalsContact OD1-CE 3.31Å; D105-K127 WeakPolarHBondContact OD1-CE 3.27Å; D105-K127 IonicContact OD1-NZ 2.7Å; D105-K127 PolarHBondContact OD1-NZ 3.27Å; D105-K127 IonicContact OD2-NZ 3.12Å; D105-K127 PolarHBondContact OD2-NZ 2.83Å; I109-K127 HydrophobicContact CD1-CB 4.26Å; I109-K127 HydrophobicContact CD1-CD 3.76Å; Y123-K127 WeakPolarHBondContact O-CB 3.38Å; Y123-K127 PolarHBondContact O-N 2.89Å; L124-K127 WeakPolarHBondContact O-CB 3.46Å; L124-K127 PolarHBondContact O-N 3.01Å; L124-K127 VanDerWaalsContact O-N 3.17Å; K125-K127 VanDerWaalsContact C-N 3.31Å; K125-K127 PolarHBondContact O-N 3.48Å; K127-D129 VanDerWaalsContact C-N 3.34Å; K127-D129 PolarHBondContact O-N 2.71Å; K127-Y130 PolarHBondContact O-N 3.18Å; K127-Y131 HydrophobicContact CD-CE2 4.34Å; K127-Y131 HydrophobicContact CG-CD2 3.88Å; K127-Y131 HydrophobicContact CG-CE2 3.73Å; K127-Y131 VanDerWaalsContact O-CD2 3.29Å; K127-Y131 WeakPolarHBondContact O-CD2 3.32Å; K127-Y131 PolarHBondContact O-N 3.37Å; K127-A153 HydrophobicContact CB-CB 4.1Å; K127-A153 HydrophobicContact CD-CB 4.18Å; K127-A153 HydrophobicContact CG-CB 3.94Å
128G98.8Very high98.1Very high0 Ų019.9 Ų19.90%09%0.093CC..Hα-helixtrans-58.6-42.9172.800000112.6L124 K125 M126 Y131 R132 S150 Y154L124-G128 PolarHBondContact O-N 3.34Å; K125-G128 PolarHBondContact O-N 3.27Å; M126-G128 VanDerWaalsContact C-N 3.34Å; M126-G128 PolarHBondContact O-N 3.33Å; G128-Y131 PolarHBondContact O-N 2.89Å; G128-R132 VanDerWaalsContact O-CB 3.26Å; G128-R132 WeakPolarHBondContact O-CB 3.35Å; G128-R132 PolarHBondContact O-N 2.75Å; G128-S150 PolarHBondContact O-OG 3.09Å; G128-Y154 VanDerWaalsContact C-OH 3.25Å; G128-Y154 PolarHBondContact O-OH 3.2Å
129D98.8Very high97.7Very high7 Ų721.5 Ų21.54%0.03711%0.111CC..Hα-helixtrans-59.7-47.2176.7-78.9-48000112.5K125 M126 K127 R132 Y133 Y154 N178K125-D129 IonicContact NZ-OD2 2.76Å; K125-D129 PolarHBondContact NZ-OD2 3.44Å; K125-D129 PolarHBondContact O-N 3.49Å; M126-D129 WeakPolarHBondContact O-CB 3.39Å; M126-D129 PolarHBondContact O-N 3.45Å; M126-D129 VanDerWaalsContact O-N 3.11Å; K127-D129 VanDerWaalsContact C-N 3.34Å; K127-D129 PolarHBondContact O-N 2.71Å; D129-R132 WeakPolarHBondContact O-CB 3.43Å; D129-R132 PolarHBondContact O-N 3.14Å; D129-R132 IonicContact OD1-CZ 2.82Å; D129-R132 IonicContact OD1-NE 3.62Å; D129-R132 IonicContact OD1-NH2 3.56Å; D129-R132 PolarHBondContact OD1-NH2 3.39Å; D129-Y133 HydrophobicContact CB-CE2 4.09Å; D129-Y133 WeakPolarHBondContact O-CD1 3.26Å; D129-Y133 WeakPolarHBondContact O-CD2 3.37Å; D129-Y133 WeakPolarHBondContact O-CE2 3.43Å; D129-Y133 PolarHBondContact O-N 3.16Å; D129-Y154 VanDerWaalsContact CA-OH 3.25Å; D129-Y154 WeakPolarHBondContact CA-OH 3.28Å; D129-Y154 PolarHBondContact N-OH 3.15Å; D129-Y154 VanDerWaalsContact N-OH 3.14Å; D129-Y154 PolarHBondContact OD1-OH 3.42Å; D129-N178 WeakPolarHBondContact OD1-CB 3.29Å; D129-N178 PolarHBondContact OD1-ND2 2.94Å; D129-N178 PolarHBondContact OD2-ND2 2.86Å
130Y98.8Very high97.4Very high5 Ų523.6 Ų23.62%0.0214%0.135CC..Hα-helixtrans-71.9-34.7-178.5-70.7-72.9000113.1Y49 K50 V53 C97 V100 L104 M126 K127 Y133 L134Y49-Y130 VanDerWaalsContact C-OH 3.26Å; Y49-Y130 WeakPolarHBondContact CB-OH 3.43Å; K50-Y130 PolarHBondContact N-OH 3.28Å; V53-Y130 HydrophobicContact CB-CE1 4.22Å; V53-Y130 HydrophobicContact CG2-CD1 4.1Å; V53-Y130 HydrophobicContact CG2-CE1 3.68Å; C97-Y130 HydrophobicContact CB-CD1 4.46Å; V100-Y130 HydrophobicContact CB-CD2 4.44Å; V100-Y130 HydrophobicContact CB-CE2 4.36Å; V100-Y130 HydrophobicContact CG1-CD1 3.46Å; V100-Y130 VanDerWaalsContact CG1-CD1 3.46Å; V100-Y130 HydrophobicContact CG1-CD2 3.47Å; V100-Y130 VanDerWaalsContact CG1-CD2 3.47Å; V100-Y130 HydrophobicContact CG1-CE1 3.66Å; V100-Y130 HydrophobicContact CG1-CE2 3.7Å; V100-Y130 HydrophobicContact CG1-CG 3.4Å; V100-Y130 HydrophobicContact CG2-CD2 4.08Å; V100-Y130 HydrophobicContact CG2-CE2 3.76Å; L104-Y130 HydrophobicContact CD1-CD2 4.39Å; M126-Y130 HydrophobicContact CB-CD2 4.47Å; M126-Y130 HydrophobicContact CB-CE2 4.28Å; M126-Y130 HydrophobicContact CE-CE2 3.81Å; M126-Y130 WeakPolarHBondContact O-CD2 3.49Å; M126-Y130 PolarHBondContact O-N 2.98Å; K127-Y130 PolarHBondContact O-N 3.18Å; Y130-Y133 AromaticContact CD1-CD2 3.79Å; Y130-Y133 HydrophobicContact CD1-CD2 3.79Å; Y130-Y133 HydrophobicContact CD1-CE2 4.16Å; Y130-Y133 HydrophobicContact CE1-CD2 4.18Å; Y130-Y133 HydrophobicContact CE1-CE2 4.19Å; Y130-Y133 HydrophobicContact CG-CD2 4.4Å; Y130-Y133 PolarHBondContact O-N 2.86Å; Y130-L134 WeakPolarHBondContact O-CG 3.31Å; Y130-L134 PolarHBondContact O-N 2.81Å
131Y98.8Very high97Very high46 Ų4629.3 Ų29.318%0.1816%0.163CC..Hα-helixtrans-66.5-37.9169.4-80.3-60.4000112.4L101 K127 G128 Y133 L134 A135 V146 A149L101-Y131 HydrophobicContact CD1-CD1 4.03Å; L101-Y131 HydrophobicContact CD1-CE1 3.74Å; L101-Y131 HydrophobicContact CD1-CE2 4.27Å; L101-Y131 HydrophobicContact CD1-CG 4.39Å; L101-Y131 HydrophobicContact CD2-CD2 3.79Å; L101-Y131 HydrophobicContact CD2-CE2 3.58Å; L101-Y131 HydrophobicContact CD2-CG 4.34Å; K127-Y131 HydrophobicContact CD-CE2 4.34Å; K127-Y131 HydrophobicContact CG-CD2 3.88Å; K127-Y131 HydrophobicContact CG-CE2 3.73Å; K127-Y131 VanDerWaalsContact O-CD2 3.29Å; K127-Y131 WeakPolarHBondContact O-CD2 3.32Å; K127-Y131 PolarHBondContact O-N 3.37Å; G128-Y131 PolarHBondContact O-N 2.89Å; Y131-Y133 VanDerWaalsContact C-N 3.34Å; Y131-Y133 PolarHBondContact O-N 3.03Å; Y131-L134 HydrophobicContact CD1-CD1 4.04Å; Y131-L134 HydrophobicContact CE1-CD1 4.42Å; Y131-L134 CarbonylContact O-C 3.59Å; Y131-L134 WeakPolarHBondContact O-CB 3.24Å; Y131-L134 PolarHBondContact O-N 3.37Å; Y131-A135 WeakPolarHBondContact O-CB 3.35Å; Y131-A135 PolarHBondContact O-N 2.97Å; Y131-V146 HydrophobicContact CD1-CB 4.24Å; Y131-V146 HydrophobicContact CD1-CG1 4.29Å; Y131-A149 HydrophobicContact CD1-CB 3.78Å; Y131-A149 HydrophobicContact CD2-CB 3.8Å; Y131-A149 HydrophobicContact CE1-CB 3.78Å; Y131-A149 HydrophobicContact CE2-CB 3.8Å; Y131-A149 HydrophobicContact CG-CB 3.81Å
132R98.5Very high96.6Very high13 Ų1333.1 Ų33.15%0.04918%0.18CC..Hα-helixtrans-59-43.4171.7171.8168.571.888.52.1112G128 D129 L134 A135 E136 Y154 F182 E185 I186G128-R132 VanDerWaalsContact O-CB 3.26Å; G128-R132 WeakPolarHBondContact O-CB 3.35Å; G128-R132 PolarHBondContact O-N 2.75Å; D129-R132 WeakPolarHBondContact O-CB 3.43Å; D129-R132 PolarHBondContact O-N 3.14Å; D129-R132 IonicContact OD1-CZ 2.82Å; D129-R132 IonicContact OD1-NE 3.62Å; D129-R132 IonicContact OD1-NH2 3.56Å; D129-R132 PolarHBondContact OD1-NH2 3.39Å; R132-L134 VanDerWaalsContact C-N 3.33Å; R132-L134 PolarHBondContact O-N 2.96Å; R132-A135 WeakPolarHBondContact O-CB 3.47Å; R132-A135 PolarHBondContact O-N 3.36Å; R132-E136 PolarHBondContact O-N 3.4Å; R132-Y154 PolarHBondContact NE-OH 3.15Å; R132-F182 HydrophobicContact CB-CD2 4.36Å; R132-F182 HydrophobicContact CG-CD2 4.41Å; R132-E185 IonicContact NH1-OE2 3.21Å; R132-I186 HydrophobicContact CG-CD1 4.31Å; R132-I186 HydrophobicContact CG-CG1 3.79Å
133Y98.5Very high96.5Very high24 Ų2436.2 Ų36.29%0.09419%0.193CC..Hα-helixtrans-65.2-35.8175.5-55.9-32.6000112.5V53 R57 D129 Y130 Y131V53-Y133 HydrophobicContact CG1-CD2 3.61Å; V53-Y133 HydrophobicContact CG1-CE2 4.25Å; V53-Y133 HydrophobicContact CG1-CG 4.05Å; R57-Y133 VanDerWaalsContact CZ-CD1 3.45Å; D129-Y133 HydrophobicContact CB-CE2 4.09Å; D129-Y133 WeakPolarHBondContact O-CD1 3.26Å; D129-Y133 WeakPolarHBondContact O-CD2 3.37Å; D129-Y133 WeakPolarHBondContact O-CE2 3.43Å; D129-Y133 PolarHBondContact O-N 3.16Å; Y130-Y133 AromaticContact CD1-CD2 3.79Å; Y130-Y133 HydrophobicContact CD1-CD2 3.79Å; Y130-Y133 HydrophobicContact CD1-CE2 4.16Å; Y130-Y133 HydrophobicContact CE1-CD2 4.18Å; Y130-Y133 HydrophobicContact CE1-CE2 4.19Å; Y130-Y133 HydrophobicContact CG-CD2 4.4Å; Y130-Y133 PolarHBondContact O-N 2.86Å; Y131-Y133 VanDerWaalsContact C-N 3.34Å; Y131-Y133 PolarHBondContact O-N 3.03Å
134L98.5Very high96.3Very high4 Ų440.8 Ų40.82%0.02122%0.218CC..Hα-helixtrans-65.5-40.8170.8-71171.9000111.4L93 E94 C97 L101 Y130 Y131 R132 E136 V137 A138 V146L93-L134 HydrophobicContact CD2-CD2 4.21Å; E94-L134 HydrophobicContact CB-CD2 4.09Å; E94-L134 HydrophobicContact CG-CD2 4.17Å; C97-L134 HydrophobicContact CB-CD1 4.04Å; C97-L134 HydrophobicContact CB-CD2 3.71Å; C97-L134 HydrophobicContact CB-CG 3.73Å; L101-L134 HydrophobicContact CD1-CD1 3.7Å; Y130-L134 WeakPolarHBondContact O-CG 3.31Å; Y130-L134 PolarHBondContact O-N 2.81Å; Y131-L134 HydrophobicContact CD1-CD1 4.04Å; Y131-L134 HydrophobicContact CE1-CD1 4.42Å; Y131-L134 CarbonylContact O-C 3.59Å; Y131-L134 WeakPolarHBondContact O-CB 3.24Å; Y131-L134 PolarHBondContact O-N 3.37Å; R132-L134 VanDerWaalsContact C-N 3.33Å; R132-L134 PolarHBondContact O-N 2.96Å; L134-E136 VanDerWaalsContact C-N 3.3Å; L134-E136 PolarHBondContact O-N 2.94Å; L134-V137 WeakPolarHBondContact O-CG2 3.42Å; L134-V137 PolarHBondContact O-N 2.87Å; L134-A138 WeakPolarHBondContact O-CB 3.45Å; L134-A138 PolarHBondContact O-N 3.34Å; L134-V146 HydrophobicContact CB-CB 4.23Å; L134-V146 HydrophobicContact CB-CG1 4.1Å; L134-V146 HydrophobicContact CB-CG2 4.47Å; L134-V146 HydrophobicContact CD1-CG1 4.43Å
135A97.9Very high96.2Very high1 Ų143.8 Ų43.81%0.00824%0.239CC..Hα-helixtrans-64-33.3179.300000113.2Y131 R132 V137 V146 V147 I186Y131-A135 WeakPolarHBondContact O-CB 3.35Å; Y131-A135 PolarHBondContact O-N 2.97Å; R132-A135 WeakPolarHBondContact O-CB 3.47Å; R132-A135 PolarHBondContact O-N 3.36Å; A135-V137 VanDerWaalsContact C-N 3.26Å; A135-V137 PolarHBondContact O-N 3.1Å; A135-V146 VanDerWaalsContact CA-CG2 3.48Å; A135-V146 HydrophobicContact CB-CG2 3.75Å; A135-V147 HydrophobicContact CB-CG2 3.83Å; A135-I186 HydrophobicContact CB-CD1 4.33Å; A135-I186 HydrophobicContact CB-CG2 3.82Å
136E96.6Very high96.2Very high40 Ų4042.7 Ų42.719%0.18724%0.235CC..Hα-helixtrans-59.9-36.3175.5-177.4177.7-162.300112.3R57 W60 R61 R132 L134 I186R57-E136 IonicContact CZ-OE2 3.8Å; R57-E136 IonicContact NE-OE2 2.88Å; R57-E136 PolarHBondContact NE-OE2 3.45Å; R57-E136 IonicContact NH2-OE1 3.72Å; R57-E136 IonicContact NH2-OE2 3.01Å; R57-E136 PolarHBondContact NH2-OE2 3.02Å; W60-E136 HydrophobicContact CE3-CG 4.45Å; W60-E136 HydrophobicContact CH2-CG 4.23Å; W60-E136 WeakPolarHBondContact CH2-O 3.36Å; W60-E136 HydrophobicContact CZ3-CG 3.77Å; R61-E136 IonicContact CZ-OE1 2.74Å; R61-E136 IonicContact NE-OE1 2.67Å; R61-E136 PolarHBondContact NE-OE1 3.32Å; R61-E136 IonicContact NH2-OE1 2.63Å; R61-E136 PolarHBondContact NH2-OE1 3.21Å; R61-E136 IonicContact NH2-OE2 3.95Å; R132-E136 PolarHBondContact O-N 3.4Å; L134-E136 VanDerWaalsContact C-N 3.3Å; L134-E136 PolarHBondContact O-N 2.94Å; E136-I186 HydrophobicContact CB-CD1 4.38Å
137V96.2Very high96.2Very high18 Ų1843 Ų4311%0.10924%0.237CC..Hα-helixtrans-105.3-12.6-176.1-52.80000114W60 E90 L93 L134 A135W60-V137 HydrophobicContact CD2-CG1 3.64Å; W60-V137 HydrophobicContact CE3-CG1 4.03Å; W60-V137 HydrophobicContact CG-CG1 3.99Å; W60-V137 HydrophobicContact CH2-CG1 4.33Å; W60-V137 HydrophobicContact CZ2-CB 4.24Å; W60-V137 HydrophobicContact CZ2-CG1 3.97Å; W60-V137 HydrophobicContact CZ3-CG1 4.37Å; E90-V137 HydrophobicContact CG-CB 4.13Å; L93-V137 HydrophobicContact CD1-CG1 4.06Å; L93-V137 HydrophobicContact CD2-CG2 4Å; L134-V137 WeakPolarHBondContact O-CG2 3.42Å; L134-V137 PolarHBondContact O-N 2.87Å; A135-V137 VanDerWaalsContact C-N 3.26Å; A135-V137 PolarHBondContact O-N 3.1Å
138A95.2Very high96.1Very high13 Ų1347.4 Ų47.411%0.10726%0.258CS..  trans-73148.4-178.500000112.1L134 K142 K143 V146L134-A138 WeakPolarHBondContact O-CB 3.45Å; L134-A138 PolarHBondContact O-N 3.34Å; A138-K142 HydrophobicContact CB-CG 4.31Å; A138-K143 HydrophobicContact CB-CB 4.1Å; A138-V146 HydrophobicContact CB-CG2 3.93Å
139S89.9Confident96.1Very high96 Ų9648.8 Ų48.867%0.67127%0.27SS*.  trans-131.9161.5174.757.20000110.9
140G90.7Very high96.1Very high61 Ų6148.5 Ų48.563%0.62927%0.268SS*.THydrogen-bonded Turntrans60.3-147.3179.400000113.6K142 K143G140-K142 PolarHBondContact O-N 3.13Å; G140-K143 WeakPolarHBondContact O-CB 3.41Å; G140-K143 PolarHBondContact O-N 2.93Å; G140-K143 VanDerWaalsContact O-N 3.08Å
141E88.7Confident96.1Very high180 Ų18050 Ų5084%0.84128%0.275SS*.Hα-helixtrans-59.4-32.7-176.5-64.3-179.6172.400113.3K143 N144E141-K143 PolarHBondContact O-N 3.47Å; E141-N144 PolarHBondContact O-N 3.04Å
142K91.5Very high96.1Very high80 Ų8050.7 Ų50.735%0.34829%0.291SS..Hα-helixtrans-59.1-36.4177.9-176.6174.7170.2-175.50111.3E94 A138 G140 N144 S145 V146E94-K142 IonicContact OE1-NZ 3.15Å; E94-K142 PolarHBondContact OE1-NZ 3.29Å; E94-K142 IonicContact OE2-NZ 3.69Å; E94-K142 PolarHBondContact OE2-NZ 2.6Å; A138-K142 HydrophobicContact CB-CG 4.31Å; G140-K142 PolarHBondContact O-N 3.13Å; K142-N144 PolarHBondContact O-N 3.29Å; K142-S145 PolarHBondContact O-N 3.45Å; K142-S145 PolarHBondContact O-OG 3.11Å; K142-V146 HydrophobicContact CG-CG1 4.46Å; K142-V146 WeakPolarHBondContact O-CG2 3.45Å; K142-V146 PolarHBondContact O-N 3.28Å
143K95.2Very high96.1Very high87 Ų8750.3 Ų50.338%0.37829%0.29SS..Hα-helixtrans-58-48.4-179.1-173.1171.9-179.2174.30111.4A138 G140 E141 S145 V146 V147A138-K143 HydrophobicContact CB-CB 4.1Å; G140-K143 WeakPolarHBondContact O-CB 3.41Å; G140-K143 PolarHBondContact O-N 2.93Å; G140-K143 VanDerWaalsContact O-N 3.08Å; E141-K143 PolarHBondContact O-N 3.47Å; K143-S145 VanDerWaalsContact C-N 3.34Å; K143-S145 PolarHBondContact O-N 2.7Å; K143-V146 WeakPolarHBondContact O-CG2 3.45Å; K143-V146 PolarHBondContact O-N 3.26Å; K143-V147 HydrophobicContact CG-CG2 4.18Å; K143-V147 WeakPolarHBondContact O-CB 3.48Å; K143-V147 WeakPolarHBondContact O-CG2 3.36Å; K143-V147 PolarHBondContact O-N 2.91Å
144N95.5Very high96.1Very high104 Ų10449.1 Ų49.156%0.55629%0.286SS*.Hα-helixtrans-60.4-45.5-178.6-65.7-8.8000111.4E141 K142 V146 V147 E148E141-N144 PolarHBondContact O-N 3.04Å; K142-N144 PolarHBondContact O-N 3.29Å; N144-V146 PolarHBondContact O-N 3.23Å; N144-V147 PolarHBondContact O-N 3.4Å; N144-E148 WeakPolarHBondContact O-CG 3.41Å; N144-E148 PolarHBondContact O-N 3.48Å
145S96.3Very high96.1Very high63 Ų6353.6 Ų53.644%0.44131%0.305SS..Hα-helixtrans-61.5-39.3-179.769.40000113.7K142 K143 A149K142-S145 PolarHBondContact O-N 3.45Å; K142-S145 PolarHBondContact O-OG 3.11Å; K143-S145 VanDerWaalsContact C-N 3.34Å; K143-S145 PolarHBondContact O-N 2.7Å; S145-A149 WeakPolarHBondContact O-CB 3.38Å; S145-A149 PolarHBondContact O-N 3.2Å; S145-A149 VanDerWaalsContact O-N 3.09Å
146V97.7Very high96.1Very high9 Ų957.4 Ų57.46%0.05532%0.322CS..Hα-helixtrans-77.2-30.7178.9-61.90000112.1Y131 L134 A135 A138 K142 K143 N144 S150Y131-V146 HydrophobicContact CD1-CB 4.24Å; Y131-V146 HydrophobicContact CD1-CG1 4.29Å; L134-V146 HydrophobicContact CB-CB 4.23Å; L134-V146 HydrophobicContact CB-CG1 4.1Å; L134-V146 HydrophobicContact CB-CG2 4.47Å; L134-V146 HydrophobicContact CD1-CG1 4.43Å; A135-V146 VanDerWaalsContact CA-CG2 3.48Å; A135-V146 HydrophobicContact CB-CG2 3.75Å; A138-V146 HydrophobicContact CB-CG2 3.93Å; K142-V146 HydrophobicContact CG-CG1 4.46Å; K142-V146 WeakPolarHBondContact O-CG2 3.45Å; K142-V146 PolarHBondContact O-N 3.28Å; K143-V146 WeakPolarHBondContact O-CG2 3.45Å; K143-V146 PolarHBondContact O-N 3.26Å; N144-V146 PolarHBondContact O-N 3.23Å; V146-S150 VanDerWaalsContact O-CB 3.28Å; V146-S150 WeakPolarHBondContact O-CB 3.24Å; V146-S150 PolarHBondContact O-N 2.92Å
147V98.2Very high96.2Very high13 Ų1355.5 Ų55.58%0.07931%0.314CS..Hα-helixtrans-65-48.8173.5171.70000110.4A135 K143 N144 A149 S150 E151 F182 I186A135-V147 HydrophobicContact CB-CG2 3.83Å; K143-V147 HydrophobicContact CG-CG2 4.18Å; K143-V147 WeakPolarHBondContact O-CB 3.48Å; K143-V147 WeakPolarHBondContact O-CG2 3.36Å; K143-V147 PolarHBondContact O-N 2.91Å; N144-V147 PolarHBondContact O-N 3.4Å; V147-A149 PolarHBondContact O-N 2.91Å; V147-S150 WeakPolarHBondContact O-CB 3.48Å; V147-S150 PolarHBondContact O-N 3.19Å; V147-E151 PolarHBondContact O-N 3.24Å; V147-F182 HydrophobicContact CG1-CE2 4.31Å; V147-F182 HydrophobicContact CG1-CZ 4.02Å; V147-I186 HydrophobicContact CG1-CG2 4.35Å; V147-I186 HydrophobicContact CG2-CG2 3.63Å
148E97.9Very high96.3Very high132 Ų13255.8 Ų55.862%0.61731%0.313SS*.Hα-helixtrans-61-43.6177.1-72.3174.1-174.500111.8N144 S150 E151 A152N144-E148 WeakPolarHBondContact O-CG 3.41Å; N144-E148 PolarHBondContact O-N 3.48Å; E148-S150 PolarHBondContact O-N 2.88Å; E148-E151 PolarHBondContact O-N 2.87Å; E148-A152 VanDerWaalsContact O-CB 3.31Å; E148-A152 WeakPolarHBondContact O-CB 3.41Å; E148-A152 PolarHBondContact O-N 3.17Å
149A98.4Very high96.5Very high29 Ų2960.5 Ų60.524%0.2433%0.333CS..Hα-helixtrans-65-38.6177.400000112.6Y131 S145 V147 A153Y131-A149 HydrophobicContact CD1-CB 3.78Å; Y131-A149 HydrophobicContact CD2-CB 3.8Å; Y131-A149 HydrophobicContact CE1-CB 3.78Å; Y131-A149 HydrophobicContact CE2-CB 3.8Å; Y131-A149 HydrophobicContact CG-CB 3.81Å; S145-A149 WeakPolarHBondContact O-CB 3.38Å; S145-A149 PolarHBondContact O-N 3.2Å; S145-A149 VanDerWaalsContact O-N 3.09Å; V147-A149 PolarHBondContact O-N 2.91Å; A149-A153 WeakPolarHBondContact O-CB 3.28Å; A149-A153 PolarHBondContact O-N 3.09Å; A149-A153 VanDerWaalsContact O-N 3.14Å
150S98.7Very high96.9Very high0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-60.3-52.1173.5178.40000110.9G128 V146 V147 E148 A152 A153 Y154 F182G128-S150 PolarHBondContact O-OG 3.09Å; V146-S150 VanDerWaalsContact O-CB 3.28Å; V146-S150 WeakPolarHBondContact O-CB 3.24Å; V146-S150 PolarHBondContact O-N 2.92Å; V147-S150 WeakPolarHBondContact O-CB 3.48Å; V147-S150 PolarHBondContact O-N 3.19Å; E148-S150 PolarHBondContact O-N 2.88Å; S150-A152 PolarHBondContact O-N 3.19Å; S150-A153 PolarHBondContact O-N 3.41Å; S150-Y154 WeakPolarHBondContact O-CD2 3.44Å; S150-Y154 PolarHBondContact O-N 3.07Å; S150-Y154 VanDerWaalsContact OG-CE2 3.3Å; S150-Y154 WeakPolarHBondContact OG-CE2 3.4Å; S150-F182 WeakPolarHBondContact OG-CD2 3.46Å; S150-F182 VanDerWaalsContact OG-CE2 3.24Å; S150-F182 WeakPolarHBondContact OG-CE2 3.44Å
151E98.7Very high97.2Very high37 Ų3754.3 Ų54.317%0.17328%0.278CS..Hα-helixtrans-63.4-42.5-178.6-170.3170.8-179.600112.2V147 E148 A153 Y154 K155 F179 F182 Q187V147-E151 PolarHBondContact O-N 3.24Å; E148-E151 PolarHBondContact O-N 2.87Å; E151-A153 VanDerWaalsContact C-N 3.35Å; E151-A153 PolarHBondContact O-N 3.48Å; E151-Y154 PolarHBondContact O-N 3.19Å; E151-K155 HydrophobicContact CG-CD 4.06Å; E151-K155 HydrophobicContact CG-CG 4.35Å; E151-K155 WeakPolarHBondContact O-CB 3.38Å; E151-K155 WeakPolarHBondContact O-CG 3.48Å; E151-K155 PolarHBondContact O-N 3.46Å; E151-K155 WeakPolarHBondContact OE1-CE 3.4Å; E151-K155 IonicContact OE1-NZ 2.83Å; E151-K155 PolarHBondContact OE1-NZ 3.01Å; E151-F179 HydrophobicContact CG-CE2 4.46Å; E151-F182 HydrophobicContact CB-CE1 3.78Å; E151-F182 HydrophobicContact CB-CZ 3.74Å; E151-F182 HydrophobicContact CG-CE1 3.99Å; E151-F182 HydrophobicContact CG-CZ 4.42Å; E151-Q187 PolarHBondContact OE2-NE2 3.42Å
152A98.7Very high97.6Very high61 Ų6150 Ų5050%0.50426%0.256SS..Hα-helixtrans-59.4-45.3177.300000111.8E148 S150 K155 E156E148-A152 VanDerWaalsContact O-CB 3.31Å; E148-A152 WeakPolarHBondContact O-CB 3.41Å; E148-A152 PolarHBondContact O-N 3.17Å; S150-A152 PolarHBondContact O-N 3.19Å; A152-K155 PolarHBondContact O-N 3.04Å; A152-E156 WeakPolarHBondContact O-CB 3.26Å; A152-E156 PolarHBondContact O-N 2.81Å
153A98.8Very high97.8Very high4 Ų453.2 Ų53.23%0.03327%0.273CS..Hα-helixtrans-64.5-42.2178.500000112.2K127 A149 S150 E151 A157K127-A153 HydrophobicContact CB-CB 4.1Å; K127-A153 HydrophobicContact CD-CB 4.18Å; K127-A153 HydrophobicContact CG-CB 3.94Å; A149-A153 WeakPolarHBondContact O-CB 3.28Å; A149-A153 PolarHBondContact O-N 3.09Å; A149-A153 VanDerWaalsContact O-N 3.14Å; S150-A153 PolarHBondContact O-N 3.41Å; E151-A153 VanDerWaalsContact C-N 3.35Å; E151-A153 PolarHBondContact O-N 3.48Å; A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 2.99Å
154Y98.9Very high97.9Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-66.1-43.5175.9-74.7-56000112.7G128 D129 R132 S150 E151 A157 F158 L175 N178 F179 F182G128-Y154 VanDerWaalsContact C-OH 3.25Å; G128-Y154 PolarHBondContact O-OH 3.2Å; D129-Y154 VanDerWaalsContact CA-OH 3.25Å; D129-Y154 WeakPolarHBondContact CA-OH 3.28Å; D129-Y154 PolarHBondContact N-OH 3.15Å; D129-Y154 VanDerWaalsContact N-OH 3.14Å; D129-Y154 PolarHBondContact OD1-OH 3.42Å; R132-Y154 PolarHBondContact NE-OH 3.15Å; S150-Y154 WeakPolarHBondContact O-CD2 3.44Å; S150-Y154 PolarHBondContact O-N 3.07Å; S150-Y154 VanDerWaalsContact OG-CE2 3.3Å; S150-Y154 WeakPolarHBondContact OG-CE2 3.4Å; E151-Y154 PolarHBondContact O-N 3.19Å; Y154-A157 PolarHBondContact O-N 3.46Å; Y154-F158 VanDerWaalsContact O-CB 3.24Å; Y154-F158 WeakPolarHBondContact O-CB 3.17Å; Y154-F158 PolarHBondContact O-N 3.32Å; Y154-L175 HydrophobicContact CD1-CD1 3.64Å; Y154-L175 HydrophobicContact CE1-CD1 4.33Å; Y154-N178 HydrophobicContact CE1-CB 4.2Å; Y154-F179 VanDerWaalsContact CB-CE2 3.46Å; Y154-F179 HydrophobicContact CD1-CB 3.93Å; Y154-F179 HydrophobicContact CD1-CD2 4.3Å; Y154-F179 HydrophobicContact CD1-CG 4.18Å; Y154-F179 AromaticContact CD2-CD2 3.56Å; Y154-F179 HydrophobicContact CD2-CD2 3.56Å; Y154-F179 AromaticContact CD2-CE2 3.99Å; Y154-F179 HydrophobicContact CD2-CE2 3.99Å; Y154-F179 HydrophobicContact CD2-CG 4.26Å; Y154-F179 HydrophobicContact CE1-CB 4.38Å; Y154-F179 HydrophobicContact CE2-CD2 4.39Å; Y154-F179 HydrophobicContact CG-CB 4.02Å; Y154-F179 HydrophobicContact CG-CD1 4.47Å; Y154-F179 AromaticContact CG-CD2 3.51Å; Y154-F179 HydrophobicContact CG-CD2 3.51Å; Y154-F179 HydrophobicContact CG-CE2 4.01Å; Y154-F179 AromaticContact CG-CG 3.78Å; Y154-F179 HydrophobicContact CG-CG 3.78Å; Y154-F182 HydrophobicContact CD2-CB 4.21Å; Y154-F182 HydrophobicContact CD2-CD1 4.35Å; Y154-F182 HydrophobicContact CD2-CG 4.11Å; Y154-F182 HydrophobicContact CE2-CB 3.75Å; Y154-F182 HydrophobicContact CE2-CD2 4.2Å; Y154-F182 AromaticContact CE2-CG 3.94Å; Y154-F182 HydrophobicContact CE2-CG 3.94Å
155K98.7Very high97.9Very high98 Ų9848.5 Ų48.543%0.42625%0.248SC..Hα-helixtrans-61.4-46.3177.5-75.9-179.7179168.20111.4E151 A152 A157 F158 E159 F179E151-K155 HydrophobicContact CG-CD 4.06Å; E151-K155 HydrophobicContact CG-CG 4.35Å; E151-K155 WeakPolarHBondContact O-CB 3.38Å; E151-K155 WeakPolarHBondContact O-CG 3.48Å; E151-K155 PolarHBondContact O-N 3.46Å; E151-K155 WeakPolarHBondContact OE1-CE 3.4Å; E151-K155 IonicContact OE1-NZ 2.83Å; E151-K155 PolarHBondContact OE1-NZ 3.01Å; A152-K155 PolarHBondContact O-N 3.04Å; K155-A157 VanDerWaalsContact C-N 3.34Å; K155-A157 PolarHBondContact O-N 3.27Å; K155-F158 PolarHBondContact O-N 3.44Å; K155-F158 VanDerWaalsContact O-N 3.14Å; K155-E159 WeakPolarHBondContact O-CG 3.49Å; K155-E159 PolarHBondContact O-N 3.32Å; K155-F179 HydrophobicContact CG-CE1 4.33Å; K155-F179 HydrophobicContact CG-CZ 3.89Å
156E98.5Very high97.9Very high81 Ų8151.1 Ų51.138%0.37925%0.254SS..Hα-helixtrans-59.7-45.7176.4-169.3-173.3165.100111.2K120 L124 A152 F158 I160K120-E156 WeakPolarHBondContact CE-OE1 3.36Å; K120-E156 IonicContact NZ-OE1 3.74Å; L124-E156 HydrophobicContact CD1-CB 4.14Å; L124-E156 HydrophobicContact CD1-CG 3.73Å; L124-E156 HydrophobicContact CD2-CB 4.46Å; L124-E156 HydrophobicContact CD2-CG 4.43Å; L124-E156 WeakPolarHBondContact CD2-OE2 3.24Å; A152-E156 WeakPolarHBondContact O-CB 3.26Å; A152-E156 PolarHBondContact O-N 2.81Å; E156-F158 VanDerWaalsContact C-N 3.28Å; E156-F158 PolarHBondContact O-N 3.24Å; E156-I160 HydrophobicContact CG-CD1 4.15Å; E156-I160 WeakPolarHBondContact O-CD1 3.44Å; E156-I160 VanDerWaalsContact O-CG1 3.32Å; E156-I160 WeakPolarHBondContact O-CG1 3.44Å; E156-I160 PolarHBondContact O-N 3.24Å
157A98.7Very high97.9Very high0 Ų051.4 Ų51.40%026%0.256CS..Hα-helixtrans-59.9-40.3175.600000111.9V121 L124 A153 Y154 K155 S161 L175V121-A157 HydrophobicContact CG1-CB 4.36Å; L124-A157 HydrophobicContact CB-CB 3.67Å; L124-A157 HydrophobicContact CD1-CB 4.47Å; A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 2.99Å; Y154-A157 PolarHBondContact O-N 3.46Å; K155-A157 VanDerWaalsContact C-N 3.34Å; K155-A157 PolarHBondContact O-N 3.27Å; A157-S161 VanDerWaalsContact O-CB 3.27Å; A157-S161 WeakPolarHBondContact O-CB 3.31Å; A157-S161 PolarHBondContact O-N 3.08Å; A157-S161 PolarHBondContact O-OG 3.18Å; A157-L175 VanDerWaalsContact C-CD2 3.49Å; A157-L175 HydrophobicContact CB-CD1 3.8Å; A157-L175 HydrophobicContact CB-CD2 3.63Å; A157-L175 HydrophobicContact CB-CG 4.39Å
158F98.3Very high97.8Very high24 Ų2451 Ų5111%0.10525%0.253CS..Hα-helixtrans-69.9-43.9-173.5-166.1-119.4000111.6Y154 K155 E156 S161 K162 L175 L196Y154-F158 VanDerWaalsContact O-CB 3.24Å; Y154-F158 WeakPolarHBondContact O-CB 3.17Å; Y154-F158 PolarHBondContact O-N 3.32Å; K155-F158 PolarHBondContact O-N 3.44Å; K155-F158 VanDerWaalsContact O-N 3.14Å; E156-F158 VanDerWaalsContact C-N 3.28Å; E156-F158 PolarHBondContact O-N 3.24Å; F158-S161 WeakPolarHBondContact CA-OG 3.48Å; F158-S161 PolarHBondContact O-N 3.38Å; F158-S161 PolarHBondContact O-OG 2.64Å; F158-K162 HydrophobicContact CD1-CD 4.15Å; F158-K162 HydrophobicContact CE1-CD 4.1Å; F158-K162 WeakPolarHBondContact O-CG 3.22Å; F158-K162 PolarHBondContact O-N 2.94Å; F158-L175 HydrophobicContact CB-CD2 4.17Å; F158-L175 HydrophobicContact CD2-CD2 4.14Å; F158-L175 HydrophobicContact CD2-CG 4.46Å; F158-L196 HydrophobicContact CE1-CD1 3.89Å; F158-L196 HydrophobicContact CE2-CD1 3.73Å; F158-L196 HydrophobicContact CZ-CD1 3.31Å
159E98Very high97.7Very high112 Ų11246.6 Ų46.652%0.52323%0.232SC..Hα-helixtrans-61.9-46.9176.2-65.3-52120.300111.7K155 S161 K162 E163K155-E159 WeakPolarHBondContact O-CG 3.49Å; K155-E159 PolarHBondContact O-N 3.32Å; E159-S161 VanDerWaalsContact C-N 3.31Å; E159-S161 PolarHBondContact O-N 2.96Å; E159-K162 PolarHBondContact O-N 3.16Å; E159-K162 IonicContact OE1-NZ 3.71Å; E159-E163 PolarHBondContact O-N 2.95Å
160I98.1Very high97.6Very high27 Ų2746.2 Ų46.214%0.13823%0.228CC..Hα-helixtrans-61.4-41.7175.9-61.4167.1000110.8K120 V121 L124 E156 K162 E163 H164K120-I160 HydrophobicContact CD-CD1 3.81Å; K120-I160 HydrophobicContact CG-CD1 4.07Å; V121-I160 HydrophobicContact CG2-CB 3.81Å; V121-I160 HydrophobicContact CG2-CG2 3.51Å; L124-I160 HydrophobicContact CD1-CD1 3.8Å; E156-I160 HydrophobicContact CG-CD1 4.15Å; E156-I160 WeakPolarHBondContact O-CD1 3.44Å; E156-I160 VanDerWaalsContact O-CG1 3.32Å; E156-I160 WeakPolarHBondContact O-CG1 3.44Å; E156-I160 PolarHBondContact O-N 3.24Å; I160-K162 VanDerWaalsContact C-N 3.35Å; I160-K162 PolarHBondContact O-N 3.15Å; I160-E163 PolarHBondContact O-N 3.36Å; I160-H164 PolarHBondContact O-CD2 3.26Å; I160-H164 PolarHBondContact O-N 3.3Å; I160-H164 VanDerWaalsContact O-N 3.13Å
161S98Very high97.6Very high0 Ų047.3 Ų47.30%023%0.233CC..Hα-helixtrans-67-34.6-17977.10000113A157 F158 E159 M165A157-S161 VanDerWaalsContact O-CB 3.27Å; A157-S161 WeakPolarHBondContact O-CB 3.31Å; A157-S161 PolarHBondContact O-N 3.08Å; A157-S161 PolarHBondContact O-OG 3.18Å; F158-S161 WeakPolarHBondContact CA-OG 3.48Å; F158-S161 PolarHBondContact O-N 3.38Å; F158-S161 PolarHBondContact O-OG 2.64Å; E159-S161 VanDerWaalsContact C-N 3.31Å; E159-S161 PolarHBondContact O-N 2.96Å; S161-M165 WeakPolarHBondContact O-CA 3.33Å; S161-M165 VanDerWaalsContact O-CB 3.27Å; S161-M165 WeakPolarHBondContact O-CB 3.3Å; S161-M165 PolarHBondContact O-N 3.48Å
162K96.7Very high97.6Very high88 Ų8847.1 Ų47.138%0.38323%0.231SC..Hα-helixtrans-67.3-38.5176.5-81173.9168.6168.90112.1F158 E159 I160F158-K162 HydrophobicContact CD1-CD 4.15Å; F158-K162 HydrophobicContact CE1-CD 4.1Å; F158-K162 WeakPolarHBondContact O-CG 3.22Å; F158-K162 PolarHBondContact O-N 2.94Å; E159-K162 PolarHBondContact O-N 3.16Å; E159-K162 IonicContact OE1-NZ 3.71Å; I160-K162 VanDerWaalsContact C-N 3.35Å; I160-K162 PolarHBondContact O-N 3.15Å
163E96.3Very high97.6Very high149 Ų14944.3 Ų44.370%0.69621%0.207SC*.Hα-helixtrans-74.4-38.5-177.7-171.1176.8166.400112.4E159 I160E159-E163 PolarHBondContact O-N 2.95Å; I160-E163 PolarHBondContact O-N 3.36Å
164H96.7Very high97.5Very high83 Ų8344.5 Ų44.538%0.38421%0.21SC..Hα-helixtrans-117.7-8.2-166.5-59.9-60.9000116Y117 I160Y117-H164 HydrophobicContact CD1-CB 4.05Å; Y117-H164 HydrophobicContact CD2-CB 3.54Å; Y117-H164 HydrophobicContact CE1-CB 4.41Å; Y117-H164 HydrophobicContact CE2-CB 3.95Å; Y117-H164 WeakPolarHBondContact CE2-O 3.48Å; Y117-H164 HydrophobicContact CG-CB 3.62Å; I160-H164 PolarHBondContact O-CD2 3.26Å; I160-H164 PolarHBondContact O-N 3.3Å; I160-H164 VanDerWaalsContact O-N 3.13Å
165M96Very high97.5Very high8 Ų844.5 Ų44.54%0.03921%0.21CC..SBendtrans-125137.5-172.1-49179.969.700111.3Y117 E118 V121 S161 H169 I171 R172Y117-M165 HydrophobicContact CD2-CG 3.93Å; Y117-M165 HydrophobicContact CE2-CG 4.11Å; E118-M165 HydrophobicContact CG-CE 4.07Å; V121-M165 HydrophobicContact CB-SD 4.06Å; V121-M165 HydrophobicContact CG1-SD 4.03Å; V121-M165 HydrophobicContact CG2-SD 3.9Å; S161-M165 WeakPolarHBondContact O-CA 3.33Å; S161-M165 VanDerWaalsContact O-CB 3.27Å; S161-M165 WeakPolarHBondContact O-CB 3.3Å; S161-M165 PolarHBondContact O-N 3.48Å; M165-H169 HydrophobicContact CB-CB 4.28Å; M165-H169 HydrophobicContact CE-CB 4.24Å; M165-H169 WeakPolarHBondContact CE-CE1 3.45Å; M165-H169 VanDerWaalsContact CE-CG 3.4Å; M165-H169 WeakPolarHBondContact CE-ND1 3.18Å; M165-H169 WeakPolarHBondContact CE-NE2 3.28Å; M165-I171 HydrophobicContact CE-CB 3.78Å; M165-I171 HydrophobicContact CE-CD1 4.49Å; M165-I171 HydrophobicContact CE-CG2 4.08Å; M165-R172 HydrophobicContact CB-CB 4.33Å; M165-R172 PolarHBondContact O-NH1 3.41Å
166Q96Very high97.5Very high119 Ų11940 Ų4056%0.55619%0.191SC*.  trans-61.8146.4175.2-62.8-60.1-24.800110.9T168 H169 R172 E207Q166-T168 PolarHBondContact O-N 2.92Å; Q166-T168 VanDerWaalsContact O-N 3.12Å; Q166-H169 WeakPolarHBondContact O-CB 3.49Å; Q166-H169 PolarHBondContact O-N 3.46Å; Q166-R172 WeakPolarHBondContact O-CD 3.24Å; Q166-E207 PolarHBondContact OE1-OE2 3.4Å
167P97.2Very high97.5Very high14 Ų1437 Ų379%0.09118%0.177CC..THydrogen-bonded Turntrans-50.9-33.2174.6-28.736000114.4H169 L173 D203 E207P167-H169 VanDerWaalsContact C-N 3.3Å; P167-H169 PolarHBondContact O-N 3.23Å; P167-L173 WeakPolarHBondContact O-CG 3.41Å; P167-D203 HydrophobicContact CB-CB 3.88Å; P167-D203 HydrophobicContact CG-CB 4.32Å; P167-E207 VanDerWaalsContact CD-OE2 3.32Å; P167-E207 WeakPolarHBondContact CD-OE2 3.13Å
168T96.5Very high97.5Very high5 Ų538.4 Ų38.43%0.03119%0.185CC..THydrogen-bonded Turntrans-80.7-3.317954.40000114.1Q166 A204 E207 S219Q166-T168 PolarHBondContact O-N 2.92Å; Q166-T168 VanDerWaalsContact O-N 3.12Å; T168-A204 HydrophobicContact CG2-CB 4.37Å; T168-A204 WeakPolarHBondContact CG2-O 3.18Å; T168-E207 HydrophobicContact CG2-CB 3.97Å; T168-S219 WeakPolarHBondContact O-CB 3.04Å; T168-S219 PolarHBondContact O-OG 3.17Å
169H96.2Very high97.6Very high39 Ų3937.5 Ų37.518%0.18118%0.181CC..  trans-68.2128.1-176.4-171.6-59.2000111.3E118 M165 Q166 P167 I171 R172 L173E118-H169 IonicContact OE1-NE2 2.73Å; E118-H169 PolarHBondContact OE1-NE2 3.37Å; M165-H169 HydrophobicContact CB-CB 4.28Å; M165-H169 HydrophobicContact CE-CB 4.24Å; M165-H169 WeakPolarHBondContact CE-CE1 3.45Å; M165-H169 VanDerWaalsContact CE-CG 3.4Å; M165-H169 WeakPolarHBondContact CE-ND1 3.18Å; M165-H169 WeakPolarHBondContact CE-NE2 3.28Å; Q166-H169 WeakPolarHBondContact O-CB 3.49Å; Q166-H169 PolarHBondContact O-N 3.46Å; P167-H169 VanDerWaalsContact C-N 3.3Å; P167-H169 PolarHBondContact O-N 3.23Å; H169-I171 PolarHBondContact ND1-N 3.45Å; H169-I171 VanDerWaalsContact ND1-N 3.11Å; H169-I171 PolarHBondContact O-N 3.01Å; H169-R172 HydrophobicContact CB-CB 4.24Å; H169-R172 PolarHBondContact O-N 3.02Å; H169-L173 PolarHBondContact O-N 3.43Å
170P96.7Very high97.6Very high21 Ų2132.1 Ų32.114%0.13616%0.156CC..Hα-helixtrans-53.7-43.9-175.5-26.530.3000114.9L173 G174 D218 S219 I222P170-L173 PolarHBondContact O-N 3.16Å; P170-G174 PolarHBondContact O-N 3.01Å; P170-D218 HydrophobicContact CB-CB 4.15Å; P170-D218 HydrophobicContact CG-CB 4.09Å; P170-S219 WeakPolarHBondContact CD-OG 3.5Å; P170-S219 WeakPolarHBondContact CG-OG 3.49Å; P170-I222 HydrophobicContact CB-CD1 4.15Å; P170-I222 VanDerWaalsContact O-CD1 3.3Å; P170-I222 WeakPolarHBondContact O-CD1 3.4Å
171I97.7Very high97.6Very high23 Ų2331.7 Ų31.712%0.11816%0.155CC..Hα-helixtrans-61.8-42.6176.4-61.3173.3000112.3E118 V121 F122 M165 H169 G174 L175E118-I171 HydrophobicContact CB-CD1 4.34Å; V121-I171 HydrophobicContact CB-CG2 4.33Å; V121-I171 HydrophobicContact CG1-CG2 3.73Å; F122-I171 HydrophobicContact CB-CD1 4.43Å; F122-I171 HydrophobicContact CB-CG2 4.44Å; F122-I171 HydrophobicContact CD2-CD1 4.1Å; F122-I171 HydrophobicContact CD2-CG1 4.24Å; M165-I171 HydrophobicContact CE-CB 3.78Å; M165-I171 HydrophobicContact CE-CD1 4.49Å; M165-I171 HydrophobicContact CE-CG2 4.08Å; H169-I171 PolarHBondContact ND1-N 3.45Å; H169-I171 VanDerWaalsContact ND1-N 3.11Å; H169-I171 PolarHBondContact O-N 3.01Å; I171-G174 PolarHBondContact O-N 3.36Å; I171-L175 WeakPolarHBondContact O-CB 3.13Å; I171-L175 PolarHBondContact O-N 3.3Å
172R98.1Very high97.6Very high33 Ų3331.7 Ų31.713%0.12516%0.155CC..Hα-helixtrans-66.4-43.8178.7178.5175.1169.2178.1-7110.9M165 Q166 H169 L175 A176M165-R172 HydrophobicContact CB-CB 4.33Å; M165-R172 PolarHBondContact O-NH1 3.41Å; Q166-R172 WeakPolarHBondContact O-CD 3.24Å; H169-R172 HydrophobicContact CB-CB 4.24Å; H169-R172 PolarHBondContact O-N 3.02Å; R172-L175 WeakPolarHBondContact O-CB 3.41Å; R172-L175 PolarHBondContact O-N 3.08Å; R172-A176 PolarHBondContact O-N 3.35Å
173L98.5Very high97.7Very high2 Ų228.8 Ų28.81%0.0114%0.141CC..Hα-helixtrans-62.2-45.3174.2-73.7167.4000111.9P167 H169 P170 L175 A176 L177 A204 I222 M223 L226P167-L173 WeakPolarHBondContact O-CG 3.41Å; H169-L173 PolarHBondContact O-N 3.43Å; P170-L173 PolarHBondContact O-N 3.16Å; L173-L175 VanDerWaalsContact C-N 3.27Å; L173-L175 PolarHBondContact O-N 3.26Å; L173-A176 PolarHBondContact O-N 2.96Å; L173-L177 PolarHBondContact O-N 3.15Å; L173-A204 HydrophobicContact CD1-CB 4.48Å; L173-A204 HydrophobicContact CD2-CB 3.74Å; L173-I222 HydrophobicContact CB-CB 4.16Å; L173-I222 HydrophobicContact CB-CD1 4.45Å; L173-I222 HydrophobicContact CB-CG2 3.61Å; L173-M223 HydrophobicContact CD1-CG 3.96Å; L173-M223 HydrophobicContact CD1-SD 4.37Å; L173-M223 HydrophobicContact CD2-CG 4.09Å; L173-L226 HydrophobicContact CD2-CD1 3.98Å
174G98.4Very high97.8Very high9 Ų924.5 Ų24.59%0.09312%0.119CC..Hα-helixtrans-63.9-33.317800000112.4K125 P170 I171 N178K125-G174 WeakPolarHBondContact CE-O 3.25Å; P170-G174 PolarHBondContact O-N 3.01Å; I171-G174 PolarHBondContact O-N 3.36Å; G174-N178 PolarHBondContact O-N 2.69Å; G174-N178 VanDerWaalsContact O-N 3.11Å
175L98.8Very high97.8Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-63.8-50.3171.4169.763000111V121 K125 Y154 A157 F158 I171 R172 L173 L177 N178 F179V121-L175 HydrophobicContact CG1-CD2 4.04Å; K125-L175 HydrophobicContact CB-CD1 4.04Å; K125-L175 HydrophobicContact CD-CB 4.13Å; K125-L175 HydrophobicContact CG-CB 4.31Å; K125-L175 HydrophobicContact CG-CD1 4.01Å; Y154-L175 HydrophobicContact CD1-CD1 3.64Å; Y154-L175 HydrophobicContact CE1-CD1 4.33Å; A157-L175 VanDerWaalsContact C-CD2 3.49Å; A157-L175 HydrophobicContact CB-CD1 3.8Å; A157-L175 HydrophobicContact CB-CD2 3.63Å; A157-L175 HydrophobicContact CB-CG 4.39Å; F158-L175 HydrophobicContact CB-CD2 4.17Å; F158-L175 HydrophobicContact CD2-CD2 4.14Å; F158-L175 HydrophobicContact CD2-CG 4.46Å; I171-L175 WeakPolarHBondContact O-CB 3.13Å; I171-L175 PolarHBondContact O-N 3.3Å; R172-L175 WeakPolarHBondContact O-CB 3.41Å; R172-L175 PolarHBondContact O-N 3.08Å; L173-L175 VanDerWaalsContact C-N 3.27Å; L173-L175 PolarHBondContact O-N 3.26Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 2.75Å; L175-N178 PolarHBondContact O-N 2.76Å; L175-F179 VanDerWaalsContact O-CB 3.24Å; L175-F179 WeakPolarHBondContact O-CB 3.03Å; L175-F179 PolarHBondContact O-N 3.22Å
176A98.8Very high97.9Very high2 Ų226 Ų262%0.01713%0.127CC..Hα-helixtrans-59.9-40.9178.200000112.2R172 L173 S180 A200R172-A176 PolarHBondContact O-N 3.35Å; L173-A176 PolarHBondContact O-N 2.96Å; A176-S180 WeakPolarHBondContact O-CB 3.49Å; A176-S180 PolarHBondContact O-N 2.92Å; A176-S180 PolarHBondContact O-OG 2.89Å; A176-S180 VanDerWaalsContact O-OG 3.09Å; A176-A200 HydrophobicContact CB-CB 3.41Å; A176-A200 VanDerWaalsContact CB-CB 3.41Å
177L98.7Very high97.9Very high19 Ų1923.7 Ų23.710%0.09912%0.116CC..Hα-helixtrans-59.1-49.4175.1176.665.1000112L173 L175 S180 V181 I222 L225 L226 N229L173-L177 PolarHBondContact O-N 3.15Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 2.75Å; L177-S180 PolarHBondContact O-OG 3Å; L177-V181 VanDerWaalsContact O-CG2 3.26Å; L177-V181 WeakPolarHBondContact O-CG2 3.46Å; L177-V181 PolarHBondContact O-N 2.88Å; L177-I222 HydrophobicContact CB-CG2 4.27Å; L177-I222 HydrophobicContact CD2-CG2 4.15Å; L177-L225 HydrophobicContact CD1-CB 4.09Å; L177-L225 HydrophobicContact CD2-CB 3.9Å; L177-L225 HydrophobicContact CD2-CD1 3.9Å; L177-L226 HydrophobicContact CB-CD2 3.93Å; L177-L226 HydrophobicContact CB-CG 4.22Å; L177-L226 HydrophobicContact CD1-CD2 3.97Å; L177-L226 HydrophobicContact CD1-CG 4.17Å; L177-N229 VanDerWaalsContact CD1-ND2 3.32Å; L177-N229 WeakPolarHBondContact CD1-ND2 3.38Å
178N98.6Very high97.8Very high30 Ų3029.7 Ų29.716%0.1615%0.147CC..Hα-helixtrans-75-32.3-176.3-75.214.3000112.4K125 D129 Y154 G174 L175 V181 F182K125-N178 PolarHBondContact NZ-ND2 2.93Å; D129-N178 WeakPolarHBondContact OD1-CB 3.29Å; D129-N178 PolarHBondContact OD1-ND2 2.94Å; D129-N178 PolarHBondContact OD2-ND2 2.86Å; Y154-N178 HydrophobicContact CE1-CB 4.2Å; G174-N178 PolarHBondContact O-N 2.69Å; G174-N178 VanDerWaalsContact O-N 3.11Å; L175-N178 PolarHBondContact O-N 2.76Å; N178-V181 PolarHBondContact O-N 3.49Å; N178-F182 PolarHBondContact O-N 2.82Å
179F98.8Very high97.9Very high4 Ų430.4 Ų30.42%0.01815%0.153CC..Hα-helixtrans-74.3-33.6177.8-168.9-163.5000112E151 Y154 K155 L175 F182 Y183 L196E151-F179 HydrophobicContact CG-CE2 4.46Å; Y154-F179 VanDerWaalsContact CB-CE2 3.46Å; Y154-F179 HydrophobicContact CD1-CB 3.93Å; Y154-F179 HydrophobicContact CD1-CD2 4.3Å; Y154-F179 HydrophobicContact CD1-CG 4.18Å; Y154-F179 AromaticContact CD2-CD2 3.56Å; Y154-F179 HydrophobicContact CD2-CD2 3.56Å; Y154-F179 AromaticContact CD2-CE2 3.99Å; Y154-F179 HydrophobicContact CD2-CE2 3.99Å; Y154-F179 HydrophobicContact CD2-CG 4.26Å; Y154-F179 HydrophobicContact CE1-CB 4.38Å; Y154-F179 HydrophobicContact CE2-CD2 4.39Å; Y154-F179 HydrophobicContact CG-CB 4.02Å; Y154-F179 HydrophobicContact CG-CD1 4.47Å; Y154-F179 AromaticContact CG-CD2 3.51Å; Y154-F179 HydrophobicContact CG-CD2 3.51Å; Y154-F179 HydrophobicContact CG-CE2 4.01Å; Y154-F179 AromaticContact CG-CG 3.78Å; Y154-F179 HydrophobicContact CG-CG 3.78Å; K155-F179 HydrophobicContact CG-CE1 4.33Å; K155-F179 HydrophobicContact CG-CZ 3.89Å; L175-F179 VanDerWaalsContact O-CB 3.24Å; L175-F179 WeakPolarHBondContact O-CB 3.03Å; L175-F179 PolarHBondContact O-N 3.22Å; F179-F182 HydrophobicContact CD2-CB 4.22Å; F179-F182 AromaticContact CD2-CD1 3.77Å; F179-F182 HydrophobicContact CD2-CD1 3.77Å; F179-F182 HydrophobicContact CD2-CG 4.35Å; F179-F182 AromaticContact CE2-CD1 3.69Å; F179-F182 HydrophobicContact CE2-CD1 3.69Å; F179-F182 HydrophobicContact CE2-CE1 4.13Å; F179-F182 WeakPolarHBondContact O-CB 3.4Å; F179-F182 PolarHBondContact O-N 3.4Å; F179-Y183 HydrophobicContact CD1-CE2 4.16Å; F179-Y183 HydrophobicContact CD2-CD2 4.01Å; F179-Y183 AromaticContact CD2-CE2 3.69Å; F179-Y183 HydrophobicContact CD2-CE2 3.69Å; F179-Y183 AromaticContact CE1-CE2 3.84Å; F179-Y183 HydrophobicContact CE1-CE2 3.84Å; F179-Y183 HydrophobicContact CE2-CD2 4.02Å; F179-Y183 HydrophobicContact CE2-CE1 4.3Å; F179-Y183 AromaticContact CE2-CE2 3.33Å; F179-Y183 HydrophobicContact CE2-CE2 3.33Å; F179-Y183 AromaticContact CE2-CZ 3.49Å; F179-Y183 VanDerWaalsContact CE2-CZ 3.49Å; F179-Y183 HydrophobicContact CG-CD2 4.44Å; F179-Y183 HydrophobicContact CG-CE2 4.1Å; F179-Y183 HydrophobicContact CZ-CD2 4.48Å; F179-Y183 AromaticContact CZ-CE2 3.42Å; F179-Y183 HydrophobicContact CZ-CE2 3.42Å; F179-Y183 VanDerWaalsContact CZ-CE2 3.42Å; F179-Y183 AromaticContact CZ-CZ 3.48Å; F179-Y183 VanDerWaalsContact CZ-CZ 3.48Å; F179-Y183 WeakPolarHBondContact CZ-OH 3.32Å; F179-Y183 VanDerWaalsContact O-CD2 3.31Å; F179-Y183 WeakPolarHBondContact O-CD2 3.48Å; F179-Y183 PolarHBondContact O-N 2.84Å; F179-L196 HydrophobicContact CB-CD2 3.8Å; F179-L196 HydrophobicContact CD1-CD2 3.62Å; F179-L196 HydrophobicContact CE1-CD2 4.42Å; F179-L196 HydrophobicContact CG-CD2 3.75Å
180S98.6Very high97.9Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-66.4-40.2171.663.60000111.5A176 L177 F182 Y183 Y184 A193A176-S180 WeakPolarHBondContact O-CB 3.49Å; A176-S180 PolarHBondContact O-N 2.92Å; A176-S180 PolarHBondContact O-OG 2.89Å; A176-S180 VanDerWaalsContact O-OG 3.09Å; L177-S180 PolarHBondContact O-OG 3Å; S180-F182 VanDerWaalsContact C-N 3.29Å; S180-F182 PolarHBondContact O-N 3.41Å; S180-Y183 PolarHBondContact O-N 2.88Å; S180-Y183 VanDerWaalsContact O-N 3.15Å; S180-Y184 PolarHBondContact O-N 2.9Å; S180-A193 WeakPolarHBondContact CB-O 3.32Å; S180-A193 VanDerWaalsContact O-CB 3.25Å; S180-A193 WeakPolarHBondContact O-CB 3.41Å
181V98.4Very high97.8Very high18 Ų1836.5 Ų36.511%0.10918%0.183CC..Hα-helixtrans-60.9-37.7172.2174.10000111.6L177 N178 Y184 E185 W233L177-V181 VanDerWaalsContact O-CG2 3.26Å; L177-V181 WeakPolarHBondContact O-CG2 3.46Å; L177-V181 PolarHBondContact O-N 2.88Å; N178-V181 PolarHBondContact O-N 3.49Å; V181-Y184 PolarHBondContact O-N 3.2Å; V181-E185 VanDerWaalsContact CG1-CD 3.45Å; V181-E185 HydrophobicContact CG1-CG 3.92Å; V181-E185 WeakPolarHBondContact CG1-OE2 3.36Å; V181-E185 WeakPolarHBondContact O-CB 3.34Å; V181-E185 PolarHBondContact O-N 3Å; V181-W233 HydrophobicContact CG2-CH2 4.01Å; V181-W233 HydrophobicContact CG2-CZ2 3.98Å
182F98.7Very high97.8Very high0 Ų040.4 Ų40.40%020%0.201CC..Hα-helixtrans-59.4-49.2171.9168.6-100.2000111.9R132 V147 S150 E151 Y154 N178 F179 S180 Y184 I186 Q187R132-F182 HydrophobicContact CB-CD2 4.36Å; R132-F182 HydrophobicContact CG-CD2 4.41Å; V147-F182 HydrophobicContact CG1-CE2 4.31Å; V147-F182 HydrophobicContact CG1-CZ 4.02Å; S150-F182 WeakPolarHBondContact OG-CD2 3.46Å; S150-F182 VanDerWaalsContact OG-CE2 3.24Å; S150-F182 WeakPolarHBondContact OG-CE2 3.44Å; E151-F182 HydrophobicContact CB-CE1 3.78Å; E151-F182 HydrophobicContact CB-CZ 3.74Å; E151-F182 HydrophobicContact CG-CE1 3.99Å; E151-F182 HydrophobicContact CG-CZ 4.42Å; Y154-F182 HydrophobicContact CD2-CB 4.21Å; Y154-F182 HydrophobicContact CD2-CD1 4.35Å; Y154-F182 HydrophobicContact CD2-CG 4.11Å; Y154-F182 HydrophobicContact CE2-CB 3.75Å; Y154-F182 HydrophobicContact CE2-CD2 4.2Å; Y154-F182 AromaticContact CE2-CG 3.94Å; Y154-F182 HydrophobicContact CE2-CG 3.94Å; N178-F182 PolarHBondContact O-N 2.82Å; F179-F182 HydrophobicContact CD2-CB 4.22Å; F179-F182 AromaticContact CD2-CD1 3.77Å; F179-F182 HydrophobicContact CD2-CD1 3.77Å; F179-F182 HydrophobicContact CD2-CG 4.35Å; F179-F182 AromaticContact CE2-CD1 3.69Å; F179-F182 HydrophobicContact CE2-CD1 3.69Å; F179-F182 HydrophobicContact CE2-CE1 4.13Å; F179-F182 WeakPolarHBondContact O-CB 3.4Å; F179-F182 PolarHBondContact O-N 3.4Å; S180-F182 VanDerWaalsContact C-N 3.29Å; S180-F182 PolarHBondContact O-N 3.41Å; F182-Y184 VanDerWaalsContact C-N 3.29Å; F182-Y184 PolarHBondContact O-N 3.49Å; F182-I186 HydrophobicContact CD2-CB 3.81Å; F182-I186 HydrophobicContact CD2-CG1 3.99Å; F182-I186 HydrophobicContact CD2-CG2 4.11Å; F182-I186 HydrophobicContact CE2-CB 3.93Å; F182-I186 HydrophobicContact CE2-CG1 4.46Å; F182-I186 HydrophobicContact CE2-CG2 3.73Å; F182-I186 WeakPolarHBondContact O-CA 3.29Å; F182-I186 WeakPolarHBondContact O-CB 3.36Å; F182-I186 PolarHBondContact O-N 2.63Å; F182-Q187 HydrophobicContact CD1-CG 4.18Å; F182-Q187 HydrophobicContact CE1-CG 3.43Å; F182-Q187 VanDerWaalsContact CE1-CG 3.43Å; F182-Q187 HydrophobicContact CE2-CG 4.36Å; F182-Q187 HydrophobicContact CZ-CG 3.53Å; F182-Q187 PolarHBondContact O-N 3.05Å; F182-Q187 VanDerWaalsContact O-N 3.16Å
183Y98.5Very high97.8Very high26 Ų2638.9 Ų38.910%0.10220%0.195CC..Hα-helixtrans-59.6-43.2178.9-80.1-58.3000111.7F179 S180 Q187 N188 A189 Q192 L196F179-Y183 HydrophobicContact CD1-CE2 4.16Å; F179-Y183 HydrophobicContact CD2-CD2 4.01Å; F179-Y183 AromaticContact CD2-CE2 3.69Å; F179-Y183 HydrophobicContact CD2-CE2 3.69Å; F179-Y183 AromaticContact CE1-CE2 3.84Å; F179-Y183 HydrophobicContact CE1-CE2 3.84Å; F179-Y183 HydrophobicContact CE2-CD2 4.02Å; F179-Y183 HydrophobicContact CE2-CE1 4.3Å; F179-Y183 AromaticContact CE2-CE2 3.33Å; F179-Y183 HydrophobicContact CE2-CE2 3.33Å; F179-Y183 AromaticContact CE2-CZ 3.49Å; F179-Y183 VanDerWaalsContact CE2-CZ 3.49Å; F179-Y183 HydrophobicContact CG-CD2 4.44Å; F179-Y183 HydrophobicContact CG-CE2 4.1Å; F179-Y183 HydrophobicContact CZ-CD2 4.48Å; F179-Y183 AromaticContact CZ-CE2 3.42Å; F179-Y183 HydrophobicContact CZ-CE2 3.42Å; F179-Y183 VanDerWaalsContact CZ-CE2 3.42Å; F179-Y183 AromaticContact CZ-CZ 3.48Å; F179-Y183 VanDerWaalsContact CZ-CZ 3.48Å; F179-Y183 WeakPolarHBondContact CZ-OH 3.32Å; F179-Y183 VanDerWaalsContact O-CD2 3.31Å; F179-Y183 WeakPolarHBondContact O-CD2 3.48Å; F179-Y183 PolarHBondContact O-N 2.84Å; S180-Y183 PolarHBondContact O-N 2.88Å; S180-Y183 VanDerWaalsContact O-N 3.15Å; Y183-Q187 HydrophobicContact CD1-CB 4.3Å; Y183-Q187 HydrophobicContact CD1-CG 4.3Å; Y183-Q187 CarbonylContact O-C 3.55Å; Y183-N188 PolarHBondContact O-N 3.39Å; Y183-N188 VanDerWaalsContact O-N 3.17Å; Y183-A189 HydrophobicContact CD1-CB 4.41Å; Y183-A189 PolarHBondContact O-N 2.97Å; Y183-Q192 HydrophobicContact CD1-CB 4.14Å; Y183-Q192 HydrophobicContact CG-CB 4.14Å; Y183-L196 HydrophobicContact CD2-CD2 3.99Å; Y183-L196 HydrophobicContact CE2-CD2 4.01Å
184Y98.1Very high97.8Very high60 Ų6039.5 Ų39.524%0.23520%0.2CC..Hα-helixtrans-70.1-59.9-179.8-172.8-87.4000112.1S180 V181 F182 N188 P190 W233 D236S180-Y184 PolarHBondContact O-N 2.9Å; V181-Y184 PolarHBondContact O-N 3.2Å; F182-Y184 VanDerWaalsContact C-N 3.29Å; F182-Y184 PolarHBondContact O-N 3.49Å; Y184-N188 WeakPolarHBondContact O-CA 3.19Å; Y184-N188 PolarHBondContact O-N 3.38Å; Y184-P190 HydrophobicContact CD2-CB 3.91Å; Y184-P190 HydrophobicContact CE2-CB 4.06Å; Y184-W233 AromaticContact CD1-CD1 3.97Å; Y184-W233 AromaticContact CD1-CE2 4Å; Y184-W233 HydrophobicContact CD1-CZ2 4.46Å; Y184-W233 AromaticContact CD1-NE1 3.5Å; Y184-W233 HydrophobicContact CD2-CB 3.99Å; Y184-W233 AromaticContact CD2-CD1 3.45Å; Y184-W233 VanDerWaalsContact CD2-CD1 3.45Å; Y184-W233 AromaticContact CD2-CD2 3.67Å; Y184-W233 HydrophobicContact CD2-CD2 3.67Å; Y184-W233 AromaticContact CD2-CE2 3.79Å; Y184-W233 HydrophobicContact CD2-CE3 4.42Å; Y184-W233 AromaticContact CD2-CG 3.44Å; Y184-W233 HydrophobicContact CD2-CG 3.44Å; Y184-W233 VanDerWaalsContact CD2-CG 3.44Å; Y184-W233 AromaticContact CD2-NE1 3.64Å; Y184-W233 AromaticContact CE1-CD1 3.69Å; Y184-W233 AromaticContact CE1-NE1 3.58Å; Y184-W233 HydrophobicContact CE2-CB 3.67Å; Y184-W233 AromaticContact CE2-CD1 3.12Å; Y184-W233 HydrophobicContact CE2-CD2 4.1Å; Y184-W233 AromaticContact CE2-CG 3.36Å; Y184-W233 HydrophobicContact CE2-CG 3.36Å; Y184-W233 AromaticContact CE2-NE1 3.71Å; Y184-W233 AromaticContact CG-CD1 3.86Å; Y184-W233 HydrophobicContact CG-CD2 4Å; Y184-W233 AromaticContact CG-CE2 3.64Å; Y184-W233 HydrophobicContact CG-CG 4.12Å; Y184-W233 HydrophobicContact CG-CZ2 4.1Å; Y184-W233 AromaticContact CG-NE1 3.54Å; Y184-W233 AromaticContact CZ-CD1 3.26Å; Y184-W233 AromaticContact CZ-CG 3.99Å; Y184-W233 AromaticContact CZ-NE1 3.68Å; Y184-D236 PolarHBondContact OH-OD2 3.01Å
185E96.3Very high97.8Very high99 Ų9944.9 Ų44.946%0.46323%0.225SC..Hα-helixtrans-78.9-29.6-169.4-63.8-176162.700113.9R132 V181R132-E185 IonicContact NH1-OE2 3.21Å; V181-E185 VanDerWaalsContact CG1-CD 3.45Å; V181-E185 HydrophobicContact CG1-CG 3.92Å; V181-E185 WeakPolarHBondContact CG1-OE2 3.36Å; V181-E185 WeakPolarHBondContact O-CB 3.34Å; V181-E185 PolarHBondContact O-N 3Å
186I97.4Very high97.7Very high24 Ų2445.6 Ų45.612%0.12323%0.229CC..THydrogen-bonded Turntrans-108.1-47.5-171.7-56-54.3000112.4R132 A135 E136 V147 F182 N188R132-I186 HydrophobicContact CG-CD1 4.31Å; R132-I186 HydrophobicContact CG-CG1 3.79Å; A135-I186 HydrophobicContact CB-CD1 4.33Å; A135-I186 HydrophobicContact CB-CG2 3.82Å; E136-I186 HydrophobicContact CB-CD1 4.38Å; V147-I186 HydrophobicContact CG1-CG2 4.35Å; V147-I186 HydrophobicContact CG2-CG2 3.63Å; F182-I186 HydrophobicContact CD2-CB 3.81Å; F182-I186 HydrophobicContact CD2-CG1 3.99Å; F182-I186 HydrophobicContact CD2-CG2 4.11Å; F182-I186 HydrophobicContact CE2-CB 3.93Å; F182-I186 HydrophobicContact CE2-CG1 4.46Å; F182-I186 HydrophobicContact CE2-CG2 3.73Å; F182-I186 WeakPolarHBondContact O-CA 3.29Å; F182-I186 WeakPolarHBondContact O-CB 3.36Å; F182-I186 PolarHBondContact O-N 2.63Å; I186-N188 VanDerWaalsContact C-N 3.33Å
187Q96.8Very high97.7Very high69 Ų6945.5 Ų45.532%0.32223%0.228SC..THydrogen-bonded Turntrans-84.4-8.4179.5-70.8-73.516.800112.9E151 F182 Y183 A189E151-Q187 PolarHBondContact OE2-NE2 3.42Å; F182-Q187 HydrophobicContact CD1-CG 4.18Å; F182-Q187 HydrophobicContact CE1-CG 3.43Å; F182-Q187 VanDerWaalsContact CE1-CG 3.43Å; F182-Q187 HydrophobicContact CE2-CG 4.36Å; F182-Q187 HydrophobicContact CZ-CG 3.53Å; F182-Q187 PolarHBondContact O-N 3.05Å; F182-Q187 VanDerWaalsContact O-N 3.16Å; Y183-Q187 HydrophobicContact CD1-CB 4.3Å; Y183-Q187 HydrophobicContact CD1-CG 4.3Å; Y183-Q187 CarbonylContact O-C 3.55Å; Q187-A189 HydrophobicContact CB-CB 4.12Å; Q187-A189 PolarHBondContact O-N 2.67Å
188N95.8Very high97.7Very high141 Ų14150.3 Ų50.375%0.75425%0.249SC*.  trans5142.7-174.4-163.957.7000111.9Y183 Y184 I186 P190Y183-N188 PolarHBondContact O-N 3.39Å; Y183-N188 VanDerWaalsContact O-N 3.17Å; Y184-N188 WeakPolarHBondContact O-CA 3.19Å; Y184-N188 PolarHBondContact O-N 3.38Å; I186-N188 VanDerWaalsContact C-N 3.33Å; N188-P190 VanDerWaalsContact O-CD 3.26Å; N188-P190 WeakPolarHBondContact O-CD 3.4Å
189A97.1Very high97.7Very high19 Ų1953.1 Ų53.116%0.15726%0.261CS..  trans-118.669.4-175.500000110Y183 Q187 E191 Q192 A193Y183-A189 HydrophobicContact CD1-CB 4.41Å; Y183-A189 PolarHBondContact O-N 2.97Å; Q187-A189 HydrophobicContact CB-CB 4.12Å; Q187-A189 PolarHBondContact O-N 2.67Å; A189-E191 VanDerWaalsContact C-N 3.33Å; A189-E191 PolarHBondContact O-N 3.16Å; A189-Q192 HydrophobicContact CB-CB 4.12Å; A189-Q192 HydrophobicContact CB-CG 4.3Å; A189-Q192 PolarHBondContact O-N 3.41Å; A189-A193 PolarHBondContact O-N 3.15Å
190P96.5Very high97.6Very high32 Ų3253.6 Ų53.621%0.20827%0.266CS..Hα-helixtrans-64.6-34.6-171.927.7-36.7000112.7Y184 N188 Q192 A193 C194Y184-P190 HydrophobicContact CD2-CB 3.91Å; Y184-P190 HydrophobicContact CE2-CB 4.06Å; N188-P190 VanDerWaalsContact O-CD 3.26Å; N188-P190 WeakPolarHBondContact O-CD 3.4Å; P190-Q192 PolarHBondContact O-N 2.83Å; P190-A193 WeakPolarHBondContact O-CB 3.41Å; P190-A193 PolarHBondContact O-N 3.05Å; P190-C194 WeakPolarHBondContact O-CB 3.34Å; P190-C194 PolarHBondContact O-N 3.25Å; P190-C194 PolarHBondContact O-SG 3.47Å; P190-C194 VanDerWaalsContact O-SG 3.37Å
191E95.9Very high97.6Very high156 Ų15655.6 Ų55.673%0.72927%0.274SS*.Hα-helixtrans-59.7-45173.9-65.7-176.317400112.2A189 C194 L195A189-E191 VanDerWaalsContact C-N 3.33Å; A189-E191 PolarHBondContact O-N 3.16Å; E191-C194 PolarHBondContact O-N 2.96Å; E191-L195 VanDerWaalsContact O-CB 3.27Å; E191-L195 WeakPolarHBondContact O-CB 3.41Å; E191-L195 PolarHBondContact O-N 3.44Å
192Q97.3Very high97.6Very high106 Ų10658.4 Ų58.450%0.49529%0.289SS..Hα-helixtrans-67.7-39.2178.1-67.4-176-32.500111.4Y183 A189 P190 L195 L196Y183-Q192 HydrophobicContact CD1-CB 4.14Å; Y183-Q192 HydrophobicContact CG-CB 4.14Å; A189-Q192 HydrophobicContact CB-CB 4.12Å; A189-Q192 HydrophobicContact CB-CG 4.3Å; A189-Q192 PolarHBondContact O-N 3.41Å; P190-Q192 PolarHBondContact O-N 2.83Å; Q192-L195 PolarHBondContact O-N 3.45Å; Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 PolarHBondContact O-N 2.96Å
193A98.1Very high97.5Very high0 Ų061 Ų610%030%0.303CS..Hα-helixtrans-60.6-49.9175.400000111.7S180 A189 P190 L196 A197 W233S180-A193 WeakPolarHBondContact CB-O 3.32Å; S180-A193 VanDerWaalsContact O-CB 3.25Å; S180-A193 WeakPolarHBondContact O-CB 3.41Å; A189-A193 PolarHBondContact O-N 3.15Å; P190-A193 WeakPolarHBondContact O-CB 3.41Å; P190-A193 PolarHBondContact O-N 3.05Å; A193-L196 PolarHBondContact O-N 3.39Å; A193-A197 WeakPolarHBondContact O-CB 3.37Å; A193-A197 PolarHBondContact O-N 3.01Å; A193-W233 HydrophobicContact CB-CE3 4.18Å; A193-W233 HydrophobicContact CB-CZ3 4Å
194C98Very high97.5Very high16 Ų1659.8 Ų59.811%0.10830%0.298CS..Hα-helixtrans-64.1-43.2178.3-72.40000111.8P190 E191 L196 A197 K198 L230P190-C194 WeakPolarHBondContact O-CB 3.34Å; P190-C194 PolarHBondContact O-N 3.25Å; P190-C194 PolarHBondContact O-SG 3.47Å; P190-C194 VanDerWaalsContact O-SG 3.37Å; E191-C194 PolarHBondContact O-N 2.96Å; C194-L196 PolarHBondContact O-N 3.5Å; C194-A197 PolarHBondContact O-N 2.96Å; C194-K198 WeakPolarHBondContact O-CB 3.48Å; C194-K198 PolarHBondContact O-N 3.47Å; C194-L230 HydrophobicContact CB-CD2 4.17Å; C194-L230 WeakPolarHBondContact O-CD2 3.45Å
195L97.8Very high97.4Very high121 Ų12160.9 Ų60.963%0.63431%0.307SS*.Hα-helixtrans-58.7-48.8177.2-177.667.2000111.3E191 Q192 Q199E191-L195 VanDerWaalsContact O-CB 3.27Å; E191-L195 WeakPolarHBondContact O-CB 3.41Å; E191-L195 PolarHBondContact O-N 3.44Å; Q192-L195 PolarHBondContact O-N 3.45Å; L195-Q199 VanDerWaalsContact O-CB 3.3Å; L195-Q199 WeakPolarHBondContact O-CB 3.37Å; L195-Q199 PolarHBondContact O-N 2.67Å
196L98.3Very high97.4Very high15 Ų1560.1 Ų60.18%0.07932%0.318CS..Hα-helixtrans-64.4-47.7-179.8-179.466.9000112.1F158 F179 Y183 Q192 A193 C194 A200F158-L196 HydrophobicContact CE1-CD1 3.89Å; F158-L196 HydrophobicContact CE2-CD1 3.73Å; F158-L196 HydrophobicContact CZ-CD1 3.31Å; F179-L196 HydrophobicContact CB-CD2 3.8Å; F179-L196 HydrophobicContact CD1-CD2 3.62Å; F179-L196 HydrophobicContact CE1-CD2 4.42Å; F179-L196 HydrophobicContact CG-CD2 3.75Å; Y183-L196 HydrophobicContact CD2-CD2 3.99Å; Y183-L196 HydrophobicContact CE2-CD2 4.01Å; Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 PolarHBondContact O-N 2.96Å; A193-L196 PolarHBondContact O-N 3.39Å; C194-L196 PolarHBondContact O-N 3.5Å; L196-A200 WeakPolarHBondContact O-CB 3.42Å; L196-A200 PolarHBondContact O-N 3.31Å
197A98.3Very high97.3Very high0 Ų062.2 Ų62.20%033%0.327CS..Hα-helixtrans-65.1-41.7-17900000111.8A193 C194 A200 F201 L226 L230 W233A193-A197 WeakPolarHBondContact O-CB 3.37Å; A193-A197 PolarHBondContact O-N 3.01Å; C194-A197 PolarHBondContact O-N 2.96Å; A197-A200 PolarHBondContact O-N 3Å; A197-F201 WeakPolarHBondContact O-CB 3.3Å; A197-F201 PolarHBondContact O-N 3.39Å; A197-L226 HydrophobicContact CB-CD2 3.87Å; A197-L230 HydrophobicContact CB-CD1 4.36Å; A197-L230 HydrophobicContact CB-CD2 3.83Å; A197-L230 HydrophobicContact CB-CG 3.94Å; A197-W233 HydrophobicContact CB-CZ3 4.27Å
198K98Very high97.1Very high121 Ų12160.4 Ų60.453%0.52632%0.319SS..Hα-helixtrans-65.5-47.4177.9-176.6175.6180-179.20111.4C194 A200 F201 D202 L230C194-K198 WeakPolarHBondContact O-CB 3.48Å; C194-K198 PolarHBondContact O-N 3.47Å; K198-A200 VanDerWaalsContact C-N 3.33Å; K198-A200 PolarHBondContact O-N 3.26Å; K198-F201 PolarHBondContact O-N 3.02Å; K198-D202 WeakPolarHBondContact CG-OD2 3.31Å; K198-D202 WeakPolarHBondContact O-CB 3.25Å; K198-D202 VanDerWaalsContact O-CG 3.31Å; K198-D202 PolarHBondContact O-N 2.9Å; K198-L230 HydrophobicContact CB-CD1 4.16Å; K198-L230 HydrophobicContact CB-CD2 4.04Å
199Q98.3Very high96.8Very high88 Ų8861.7 Ų61.741%0.41133%0.326SS..Hα-helixtrans-58.1-47177.1-178.2175.27.900111.4L195 F201 D202 D203L195-Q199 VanDerWaalsContact O-CB 3.3Å; L195-Q199 WeakPolarHBondContact O-CB 3.37Å; L195-Q199 PolarHBondContact O-N 2.67Å; Q199-F201 VanDerWaalsContact C-N 3.31Å; Q199-F201 PolarHBondContact O-N 3.43Å; Q199-D202 PolarHBondContact O-N 3.32Å; Q199-D203 VanDerWaalsContact O-CB 3.31Å; Q199-D203 WeakPolarHBondContact O-CB 3.35Å; Q199-D203 PolarHBondContact O-N 3.49Å
200A98.3Very high96.4Very high15 Ų1565.6 Ų65.612%0.12435%0.348CS..Hα-helixtrans-63.1-37.5178.600000112.9A176 L196 A197 K198 A204 L226A176-A200 HydrophobicContact CB-CB 3.41Å; A176-A200 VanDerWaalsContact CB-CB 3.41Å; L196-A200 WeakPolarHBondContact O-CB 3.42Å; L196-A200 PolarHBondContact O-N 3.31Å; A197-A200 PolarHBondContact O-N 3Å; K198-A200 VanDerWaalsContact C-N 3.33Å; K198-A200 PolarHBondContact O-N 3.26Å; A200-A204 VanDerWaalsContact O-CB 3.28Å; A200-A204 WeakPolarHBondContact O-CB 3.39Å; A200-A204 PolarHBondContact O-N 3.49Å; A200-L226 HydrophobicContact CB-CD1 4.3Å
201F98Very high95.9Very high41 Ų4165.4 Ų65.418%0.1835%0.346CS..Hα-helixtrans-67.1-49.2175.6-176.2-91.1000111.5A197 K198 Q199 A204 I205 M223 L226 R227A197-F201 WeakPolarHBondContact O-CB 3.3Å; A197-F201 PolarHBondContact O-N 3.39Å; K198-F201 PolarHBondContact O-N 3.02Å; Q199-F201 VanDerWaalsContact C-N 3.31Å; Q199-F201 PolarHBondContact O-N 3.43Å; F201-A204 PolarHBondContact O-N 3.06Å; F201-I205 HydrophobicContact CD1-CG1 3.89Å; F201-I205 HydrophobicContact CE1-CD1 4.1Å; F201-I205 HydrophobicContact CE1-CG1 3.52Å; F201-I205 HydrophobicContact CE2-CD1 4.49Å; F201-I205 HydrophobicContact CE2-CG1 4.39Å; F201-I205 HydrophobicContact CG-CG1 4.47Å; F201-I205 HydrophobicContact CZ-CD1 3.89Å; F201-I205 HydrophobicContact CZ-CG1 3.79Å; F201-I205 WeakPolarHBondContact O-CB 3.37Å; F201-I205 VanDerWaalsContact O-CG1 3.29Å; F201-I205 WeakPolarHBondContact O-CG1 3.35Å; F201-I205 PolarHBondContact O-N 2.98Å; F201-M223 HydrophobicContact CD2-CB 4.12Å; F201-M223 WeakPolarHBondContact CD2-O 3.47Å; F201-M223 HydrophobicContact CE2-CB 4.08Å; F201-M223 WeakPolarHBondContact CE2-O 3.27Å; F201-L226 HydrophobicContact CD2-CB 4.45Å; F201-R227 HydrophobicContact CD2-CB 4.33Å; F201-R227 HydrophobicContact CE2-CB 3.93Å; F201-R227 HydrophobicContact CZ-CB 4.45Å
202D98.1Very high95.5Very high77 Ų7762.2 Ų62.241%0.41233%0.333SS..Hα-helixtrans-64.2-44.8-178.3-69.7-15.9000111.3K198 Q199 A204 I205 A206K198-D202 WeakPolarHBondContact CG-OD2 3.31Å; K198-D202 WeakPolarHBondContact O-CB 3.25Å; K198-D202 VanDerWaalsContact O-CG 3.31Å; K198-D202 PolarHBondContact O-N 2.9Å; Q199-D202 PolarHBondContact O-N 3.32Å; D202-A204 VanDerWaalsContact C-N 3.31Å; D202-A204 PolarHBondContact O-N 2.87Å; D202-I205 PolarHBondContact O-N 3.48Å; D202-A206 PolarHBondContact O-N 3.44Å
203D97.6Very high94.9Very high56 Ų5665.9 Ų65.930%0.29935%0.351SS..Hα-helixtrans-60-41.5176.2-69.5-11.8000111.1P167 Q199P167-D203 HydrophobicContact CB-CB 3.88Å; P167-D203 HydrophobicContact CG-CB 4.32Å; Q199-D203 VanDerWaalsContact O-CB 3.31Å; Q199-D203 WeakPolarHBondContact O-CB 3.35Å; Q199-D203 PolarHBondContact O-N 3.49Å
204A97.1Very high94.3Very high0 Ų073 Ų730%039%0.388CS..Hα-helixtrans-75-34.5179.600000113.3T168 L173 A200 F201 D202 A206 E207 L208 M223T168-A204 HydrophobicContact CG2-CB 4.37Å; T168-A204 WeakPolarHBondContact CG2-O 3.18Å; L173-A204 HydrophobicContact CD1-CB 4.48Å; L173-A204 HydrophobicContact CD2-CB 3.74Å; A200-A204 VanDerWaalsContact O-CB 3.28Å; A200-A204 WeakPolarHBondContact O-CB 3.39Å; A200-A204 PolarHBondContact O-N 3.49Å; F201-A204 PolarHBondContact O-N 3.06Å; D202-A204 VanDerWaalsContact C-N 3.31Å; D202-A204 PolarHBondContact O-N 2.87Å; A204-A206 VanDerWaalsContact C-N 3.32Å; A204-E207 PolarHBondContact O-N 2.99Å; A204-L208 WeakPolarHBondContact O-CA 3.45Å; A204-L208 WeakPolarHBondContact O-CB 3.31Å; A204-L208 PolarHBondContact O-N 3.36Å; A204-M223 HydrophobicContact CB-CE 3.82Å; A204-M223 HydrophobicContact CB-CG 4.32Å; A204-M223 HydrophobicContact CB-SD 3.95Å
205I96.4Very high93.9Very high82 Ų8273.7 Ų73.742%0.42139%0.393SS..Hα-helixtrans-62.4-42172.6-75.2-69.8000110.6F201 D202 E207 L208 M223F201-I205 HydrophobicContact CD1-CG1 3.89Å; F201-I205 HydrophobicContact CE1-CD1 4.1Å; F201-I205 HydrophobicContact CE1-CG1 3.52Å; F201-I205 HydrophobicContact CE2-CD1 4.49Å; F201-I205 HydrophobicContact CE2-CG1 4.39Å; F201-I205 HydrophobicContact CG-CG1 4.47Å; F201-I205 HydrophobicContact CZ-CD1 3.89Å; F201-I205 HydrophobicContact CZ-CG1 3.79Å; F201-I205 WeakPolarHBondContact O-CB 3.37Å; F201-I205 VanDerWaalsContact O-CG1 3.29Å; F201-I205 WeakPolarHBondContact O-CG1 3.35Å; F201-I205 PolarHBondContact O-N 2.98Å; D202-I205 PolarHBondContact O-N 3.48Å; I205-E207 PolarHBondContact O-N 3.25Å; I205-L208 HydrophobicContact CD1-CD2 4.39Å; I205-L208 PolarHBondContact O-N 2.91Å; I205-M223 HydrophobicContact CB-CE 4.38Å; I205-M223 HydrophobicContact CD1-CE 3.39Å; I205-M223 HydrophobicContact CG1-CE 3.55Å
206A96.4Very high93.6Very high84 Ų8473.4 Ų73.469%0.69439%0.385SS*.Hα-helixtrans-61.6-26.1-179.700000113.5D202 A204D202-A206 PolarHBondContact O-N 3.44Å; A204-A206 VanDerWaalsContact C-N 3.32Å
207E95.3Very high93.4Very high67 Ų6780.3 Ų80.331%0.31341%0.414SS..THydrogen-bonded Turntrans-114.87.8-177.8-64.8-172.1-158.100113.5Q166 P167 T168 A204 I205 D209 T210Q166-E207 PolarHBondContact OE1-OE2 3.4Å; P167-E207 VanDerWaalsContact CD-OE2 3.32Å; P167-E207 WeakPolarHBondContact CD-OE2 3.13Å; T168-E207 HydrophobicContact CG2-CB 3.97Å; A204-E207 PolarHBondContact O-N 2.99Å; I205-E207 PolarHBondContact O-N 3.25Å; E207-D209 PolarHBondContact O-N 3.41Å; E207-T210 WeakPolarHBondContact O-CB 3.42Å; E207-T210 PolarHBondContact O-N 3.27Å; E207-T210 PolarHBondContact O-OG1 3.48Å
208L92.2Very high93.3Very high31 Ų3184.6 Ų84.616%0.16244%0.437CS..G310 helixtrans-59.5-34.5-172.6-172.262.1000112.9A204 I205 T210 L211 Y216 T220 M223A204-L208 WeakPolarHBondContact O-CA 3.45Å; A204-L208 WeakPolarHBondContact O-CB 3.31Å; A204-L208 PolarHBondContact O-N 3.36Å; I205-L208 HydrophobicContact CD1-CD2 4.39Å; I205-L208 PolarHBondContact O-N 2.91Å; L208-T210 PolarHBondContact O-N 2.99Å; L208-T210 VanDerWaalsContact O-N 3.17Å; L208-L211 HydrophobicContact CD1-CD2 4.03Å; L208-L211 VanDerWaalsContact O-CB 3.24Å; L208-L211 WeakPolarHBondContact O-CB 3.47Å; L208-L211 PolarHBondContact O-N 3.46Å; L208-L211 VanDerWaalsContact O-N 3.16Å; L208-Y216 HydrophobicContact CD1-CE2 4.47Å; L208-T220 HydrophobicContact CD1-CG2 4.17Å; L208-M223 HydrophobicContact CD1-CE 4.34Å; L208-M223 HydrophobicContact CD1-SD 3.95Å; L208-M223 HydrophobicContact CD2-CE 4.46Å
209D90.6Very high93.2Very high169 Ų16978.8 Ų78.890%0.90441%0.412SS*.G310 helixtrans-66.3-14.1178.9-67.2-24.7000113.4E207E207-D209 PolarHBondContact O-N 3.41Å
210T87.1Confident93.1Very high100 Ų10076.7 Ų76.761%0.61341%0.405SS*.G310 helixtrans-89.3-7.917872.50000113.4E207 L208E207-T210 WeakPolarHBondContact O-CB 3.42Å; E207-T210 PolarHBondContact O-N 3.27Å; E207-T210 PolarHBondContact O-OG1 3.48Å; L208-T210 PolarHBondContact O-N 2.99Å; L208-T210 VanDerWaalsContact O-N 3.17Å
211L87.1Confident93.1Very high29 Ų2980.9 Ų80.915%0.15243%0.425CS..  trans-74.1135.5-171.4-167.857.7000111.7L208 Y216L208-L211 HydrophobicContact CD1-CD2 4.03Å; L208-L211 VanDerWaalsContact O-CB 3.24Å; L208-L211 WeakPolarHBondContact O-CB 3.47Å; L208-L211 PolarHBondContact O-N 3.46Å; L208-L211 VanDerWaalsContact O-N 3.16Å; L211-Y216 HydrophobicContact CB-CD2 4.42Å; L211-Y216 HydrophobicContact CD2-CD2 4.1Å; L211-Y216 HydrophobicContact CG-CD2 4.45Å
212N86.4Confident93.1Very high89 Ų8980.2 Ų80.248%0.47642%0.423SS..  trans-73.8158.6174.964.433.2000112.2D214 S215 Y216N212-D214 PolarHBondContact O-N 2.92Å; N212-D214 PolarHBondContact OD1-N 2.91Å; N212-S215 PolarHBondContact O-N 2.81Å; N212-S215 VanDerWaalsContact OD1-CB 3.31Å; N212-S215 WeakPolarHBondContact OD1-CB 3.33Å; N212-S215 PolarHBondContact OD1-N 3.48Å; N212-S215 PolarHBondContact OD1-OG 3.37Å; N212-S215 VanDerWaalsContact OD1-OG 3.09Å; N212-Y216 WeakPolarHBondContact O-CB 3.41Å; N212-Y216 PolarHBondContact O-N 3.46Å; N212-Y216 VanDerWaalsContact O-N 3.1Å
213E85.8Confident93.1Very high183 Ų18376.9 Ų76.986%0.85541%0.405SS*.Hα-helixtrans-59.1-35.7-178.7-68.3-174.9173.800112.6S215 Y216E213-S215 PolarHBondContact O-N 3.08Å; E213-Y216 PolarHBondContact O-N 3.31Å
214D86.1Confident93.1Very high148 Ų14877.2 Ų77.279%0.79141%0.405SS*.Hα-helixtrans-64.5-37.1-176.7-66.4-29.3000113.1N212N212-D214 PolarHBondContact O-N 2.92Å; N212-D214 PolarHBondContact OD1-N 2.91Å
215S89.6Confident93.2Very high31 Ų3180.9 Ų80.922%0.21742%0.424CS..Hα-helixtrans-95.7-14.7-179.1-55.30000113.2N212 E213 K217 D218 S219N212-S215 PolarHBondContact O-N 2.81Å; N212-S215 VanDerWaalsContact OD1-CB 3.31Å; N212-S215 WeakPolarHBondContact OD1-CB 3.33Å; N212-S215 PolarHBondContact OD1-N 3.48Å; N212-S215 PolarHBondContact OD1-OG 3.37Å; N212-S215 VanDerWaalsContact OD1-OG 3.09Å; E213-S215 PolarHBondContact O-N 3.08Å; S215-K217 VanDerWaalsContact C-N 3.33Å; S215-K217 PolarHBondContact O-N 3.5Å; S215-D218 PolarHBondContact O-N 3Å; S215-S219 PolarHBondContact O-N 3.17Å; S215-S219 PolarHBondContact O-OG 3.36Å
216Y91.6Very high93.3Very high116 Ų11677 Ų7746%0.45540%0.404SS..Hα-helixtrans-53.5-47.9-171.9-170.1-90.8000113.1L208 L211 N212 E213 T220L208-Y216 HydrophobicContact CD1-CE2 4.47Å; L211-Y216 HydrophobicContact CB-CD2 4.42Å; L211-Y216 HydrophobicContact CD2-CD2 4.1Å; L211-Y216 HydrophobicContact CG-CD2 4.45Å; N212-Y216 WeakPolarHBondContact O-CB 3.41Å; N212-Y216 PolarHBondContact O-N 3.46Å; N212-Y216 VanDerWaalsContact O-N 3.1Å; E213-Y216 PolarHBondContact O-N 3.31Å; Y216-T220 HydrophobicContact CD1-CG2 4.15Å; Y216-T220 HydrophobicContact CE1-CG2 3.83Å; Y216-T220 HydrophobicContact CE2-CG2 4.28Å; Y216-T220 WeakPolarHBondContact O-CB 3.43Å; Y216-T220 VanDerWaalsContact O-CG2 3.27Å; Y216-T220 WeakPolarHBondContact O-CG2 3.42Å; Y216-T220 PolarHBondContact O-N 2.88Å; Y216-T220 PolarHBondContact O-OG1 3.24Å
217K94Very high93.3Very high160 Ų16078.7 Ų78.770%0.69639%0.392SS*.Hα-helixtrans-64.3-44.1-178-174.8-176.4175.6-172.40112.5S215 T220 L221S215-K217 VanDerWaalsContact C-N 3.33Å; S215-K217 PolarHBondContact O-N 3.5Å; K217-T220 PolarHBondContact O-OG1 3.19Å; K217-L221 WeakPolarHBondContact O-CB 3.49Å; K217-L221 PolarHBondContact O-N 3.29Å; K217-L221 VanDerWaalsContact O-N 3.15Å
218D94.7Very high93.4Very high89 Ų8978.8 Ų78.848%0.47640%0.395SS..Hα-helixtrans-71.9-44.3-176.5-71.9-14.8000111P170 S215 L221 I222P170-D218 HydrophobicContact CB-CB 4.15Å; P170-D218 HydrophobicContact CG-CB 4.09Å; S215-D218 PolarHBondContact O-N 3Å; D218-L221 PolarHBondContact O-N 3.45Å; D218-I222 WeakPolarHBondContact O-CD1 3.11Å; D218-I222 VanDerWaalsContact O-CG1 3.25Å; D218-I222 WeakPolarHBondContact O-CG1 3.44Å; D218-I222 PolarHBondContact O-N 2.9Å; D218-I222 VanDerWaalsContact O-N 3.08Å
219S96.4Very high93.7Very high0 Ų079 Ų790%040%0.397CS..Hα-helixtrans-63.5-46.5178.2-59.60000112T168 P170 S215 L221 I222 M223T168-S219 WeakPolarHBondContact O-CB 3.04Å; T168-S219 PolarHBondContact O-OG 3.17Å; P170-S219 WeakPolarHBondContact CD-OG 3.5Å; P170-S219 WeakPolarHBondContact CG-OG 3.49Å; S215-S219 PolarHBondContact O-N 3.17Å; S215-S219 PolarHBondContact O-OG 3.36Å; S219-L221 VanDerWaalsContact C-N 3.33Å; S219-L221 PolarHBondContact O-N 3.25Å; S219-I222 PolarHBondContact O-N 3.16Å; S219-I222 VanDerWaalsContact O-N 3.14Å; S219-M223 VanDerWaalsContact O-CG 3.24Å; S219-M223 WeakPolarHBondContact O-CG 3.18Å; S219-M223 PolarHBondContact O-N 3.27Å
220T96.6Very high94Very high43 Ų4372.2 Ų72.226%0.26436%0.36SS..Hα-helixtrans-65-36.2179.952.40000112.4L208 Y216 K217 M223 Q224L208-T220 HydrophobicContact CD1-CG2 4.17Å; Y216-T220 HydrophobicContact CD1-CG2 4.15Å; Y216-T220 HydrophobicContact CE1-CG2 3.83Å; Y216-T220 HydrophobicContact CE2-CG2 4.28Å; Y216-T220 WeakPolarHBondContact O-CB 3.43Å; Y216-T220 VanDerWaalsContact O-CG2 3.27Å; Y216-T220 WeakPolarHBondContact O-CG2 3.42Å; Y216-T220 PolarHBondContact O-N 2.88Å; Y216-T220 PolarHBondContact O-OG1 3.24Å; K217-T220 PolarHBondContact O-OG1 3.19Å; T220-M223 PolarHBondContact O-N 2.86Å; T220-Q224 WeakPolarHBondContact O-CB 3.4Å; T220-Q224 PolarHBondContact O-N 3.17Å
221L97.3Very high94.4Very high103 Ų10371.9 Ų71.954%0.53936%0.358SS..Hα-helixtrans-61.9-43172.1178.462.5000111.6K217 D218 S219 Q224 L225K217-L221 WeakPolarHBondContact O-CB 3.49Å; K217-L221 PolarHBondContact O-N 3.29Å; K217-L221 VanDerWaalsContact O-N 3.15Å; D218-L221 PolarHBondContact O-N 3.45Å; S219-L221 VanDerWaalsContact C-N 3.33Å; S219-L221 PolarHBondContact O-N 3.25Å; L221-Q224 WeakPolarHBondContact O-CB 3.26Å; L221-Q224 PolarHBondContact O-N 3.33Å; L221-L225 WeakPolarHBondContact O-CG 3.27Å; L221-L225 PolarHBondContact O-N 3.09Å; L221-L225 VanDerWaalsContact O-N 3.16Å
222I98Very high94.8Very high28 Ų2874.9 Ų74.914%0.14437%0.373CS..Hα-helixtrans-69.9-39.9179-61.7163.8000111.2P170 L173 L177 D218 S219 Q224 L225 L226P170-I222 HydrophobicContact CB-CD1 4.15Å; P170-I222 VanDerWaalsContact O-CD1 3.3Å; P170-I222 WeakPolarHBondContact O-CD1 3.4Å; L173-I222 HydrophobicContact CB-CB 4.16Å; L173-I222 HydrophobicContact CB-CD1 4.45Å; L173-I222 HydrophobicContact CB-CG2 3.61Å; L177-I222 HydrophobicContact CB-CG2 4.27Å; L177-I222 HydrophobicContact CD2-CG2 4.15Å; D218-I222 WeakPolarHBondContact O-CD1 3.11Å; D218-I222 VanDerWaalsContact O-CG1 3.25Å; D218-I222 WeakPolarHBondContact O-CG1 3.44Å; D218-I222 PolarHBondContact O-N 2.9Å; D218-I222 VanDerWaalsContact O-N 3.08Å; S219-I222 PolarHBondContact O-N 3.16Å; S219-I222 VanDerWaalsContact O-N 3.14Å; I222-Q224 VanDerWaalsContact C-N 3.27Å; I222-Q224 PolarHBondContact O-N 3.34Å; I222-L225 WeakPolarHBondContact O-CB 3.42Å; I222-L225 PolarHBondContact O-N 2.84Å; I222-L225 VanDerWaalsContact O-N 3.15Å; I222-L226 PolarHBondContact O-N 3.4Å
223M98.1Very high95.2Very high6 Ų671 Ų713%0.0335%0.352CS..Hα-helixtrans-60.8-38.5174.4-69.5169.373.400111.7L173 F201 A204 I205 L208 S219 T220 L226 R227L173-M223 HydrophobicContact CD1-CG 3.96Å; L173-M223 HydrophobicContact CD1-SD 4.37Å; L173-M223 HydrophobicContact CD2-CG 4.09Å; F201-M223 HydrophobicContact CD2-CB 4.12Å; F201-M223 WeakPolarHBondContact CD2-O 3.47Å; F201-M223 HydrophobicContact CE2-CB 4.08Å; F201-M223 WeakPolarHBondContact CE2-O 3.27Å; A204-M223 HydrophobicContact CB-CE 3.82Å; A204-M223 HydrophobicContact CB-CG 4.32Å; A204-M223 HydrophobicContact CB-SD 3.95Å; I205-M223 HydrophobicContact CB-CE 4.38Å; I205-M223 HydrophobicContact CD1-CE 3.39Å; I205-M223 HydrophobicContact CG1-CE 3.55Å; L208-M223 HydrophobicContact CD1-CE 4.34Å; L208-M223 HydrophobicContact CD1-SD 3.95Å; L208-M223 HydrophobicContact CD2-CE 4.46Å; S219-M223 VanDerWaalsContact O-CG 3.24Å; S219-M223 WeakPolarHBondContact O-CG 3.18Å; S219-M223 PolarHBondContact O-N 3.27Å; T220-M223 PolarHBondContact O-N 2.86Å; M223-L226 PolarHBondContact O-N 3.17Å; M223-R227 PolarHBondContact O-N 3.38Å
224Q98.1Very high95.5Very high64 Ų6465 Ų6530%0.29933%0.328SS..Hα-helixtrans-59.8-46.1172.9177.656.237.900111.5T220 L221 I222 L226 R227 D228T220-Q224 WeakPolarHBondContact O-CB 3.4Å; T220-Q224 PolarHBondContact O-N 3.17Å; L221-Q224 WeakPolarHBondContact O-CB 3.26Å; L221-Q224 PolarHBondContact O-N 3.33Å; I222-Q224 VanDerWaalsContact C-N 3.27Å; I222-Q224 PolarHBondContact O-N 3.34Å; Q224-L226 PolarHBondContact O-N 2.89Å; Q224-R227 WeakPolarHBondContact O-CB 3.4Å; Q224-R227 PolarHBondContact O-N 3.19Å; Q224-D228 PolarHBondContact NE2-OD1 3.2Å; Q224-D228 PolarHBondContact NE2-OD2 3.08Å; Q224-D228 PolarHBondContact O-N 2.74Å
225L98.4Very high95.6Very high76 Ų7660.2 Ų60.240%0.39831%0.306SS..Hα-helixtrans-63.6-39.4177.1-65.8171.7000112.5L177 L221 I222 D228 N229L177-L225 HydrophobicContact CD1-CB 4.09Å; L177-L225 HydrophobicContact CD2-CB 3.9Å; L177-L225 HydrophobicContact CD2-CD1 3.9Å; L221-L225 WeakPolarHBondContact O-CG 3.27Å; L221-L225 PolarHBondContact O-N 3.09Å; L221-L225 VanDerWaalsContact O-N 3.16Å; I222-L225 WeakPolarHBondContact O-CB 3.42Å; I222-L225 PolarHBondContact O-N 2.84Å; I222-L225 VanDerWaalsContact O-N 3.15Å; L225-D228 PolarHBondContact O-N 3.4Å; L225-N229 PolarHBondContact O-N 3.41Å
226L98.4Very high95.2Very high0 Ų060.9 Ų60.90%031%0.307CS..Hα-helixtrans-59.3-46.3173.6-78.6167.9000111.4L173 L177 A197 A200 F201 I222 M223 Q224 D228 N229 L230L173-L226 HydrophobicContact CD2-CD1 3.98Å; L177-L226 HydrophobicContact CB-CD2 3.93Å; L177-L226 HydrophobicContact CB-CG 4.22Å; L177-L226 HydrophobicContact CD1-CD2 3.97Å; L177-L226 HydrophobicContact CD1-CG 4.17Å; A197-L226 HydrophobicContact CB-CD2 3.87Å; A200-L226 HydrophobicContact CB-CD1 4.3Å; F201-L226 HydrophobicContact CD2-CB 4.45Å; I222-L226 PolarHBondContact O-N 3.4Å; M223-L226 PolarHBondContact O-N 3.17Å; Q224-L226 PolarHBondContact O-N 2.89Å; L226-D228 VanDerWaalsContact C-N 3.35Å; L226-D228 PolarHBondContact O-N 3.5Å; L226-N229 PolarHBondContact O-N 3.23Å; L226-L230 WeakPolarHBondContact O-CG 3.37Å; L226-L230 PolarHBondContact O-N 2.87Å
227R97.8Very high94.7Very high120 Ų12057.5 Ų57.545%0.45330%0.296SS..Hα-helixtrans-62.7-41177.4-172.1-173.473.9-174.25.8112.3F201 M223 Q224 L230 T231F201-R227 HydrophobicContact CD2-CB 4.33Å; F201-R227 HydrophobicContact CE2-CB 3.93Å; F201-R227 HydrophobicContact CZ-CB 4.45Å; M223-R227 PolarHBondContact O-N 3.38Å; Q224-R227 WeakPolarHBondContact O-CB 3.4Å; Q224-R227 PolarHBondContact O-N 3.19Å; R227-L230 PolarHBondContact O-N 3.46Å; R227-T231 PolarHBondContact O-N 3.15Å; R227-T231 PolarHBondContact O-OG1 3.45Å
228D98Very high93.8Very high70 Ų7055.7 Ų55.737%0.37429%0.29SS..Hα-helixtrans-66.7-41.6-179.5-65.6-12.7000110.8Q224 L225 L226 T231 L232Q224-D228 PolarHBondContact NE2-OD1 3.2Å; Q224-D228 PolarHBondContact NE2-OD2 3.08Å; Q224-D228 PolarHBondContact O-N 2.74Å; L225-D228 PolarHBondContact O-N 3.4Å; L226-D228 VanDerWaalsContact C-N 3.35Å; L226-D228 PolarHBondContact O-N 3.5Å; D228-T231 PolarHBondContact O-N 2.71Å; D228-L232 PolarHBondContact O-N 3.5Å
229N97.1Very high93Very high36 Ų3657.1 Ų57.119%0.19330%0.298CS..Hα-helixtrans-61.1-46.5172.1-78.10.9000112.3L177 L225 L226 T231 L232 W233L177-N229 VanDerWaalsContact CD1-ND2 3.32Å; L177-N229 WeakPolarHBondContact CD1-ND2 3.38Å; L225-N229 PolarHBondContact O-N 3.41Å; L226-N229 PolarHBondContact O-N 3.23Å; N229-T231 VanDerWaalsContact C-N 3.25Å; N229-T231 PolarHBondContact O-N 2.68Å; N229-L232 PolarHBondContact O-N 2.72Å; N229-W233 HydrophobicContact CB-CD2 4.19Å; N229-W233 HydrophobicContact CB-CE3 4.08Å; N229-W233 HydrophobicContact CB-CH2 3.68Å; N229-W233 HydrophobicContact CB-CZ2 3.77Å; N229-W233 HydrophobicContact CB-CZ3 3.83Å; N229-W233 WeakPolarHBondContact O-CB 3.24Å; N229-W233 VanDerWaalsContact O-CD2 3.27Å; N229-W233 PolarHBondContact O-N 3.4Å
230L97.1Very high91.9Very high26 Ų2663.2 Ų63.214%0.13633%0.326CS..Hα-helixtrans-57.8-40.7177-76.7167.6000112C194 A197 K198 L226 R227 T234C194-L230 HydrophobicContact CB-CD2 4.17Å; C194-L230 WeakPolarHBondContact O-CD2 3.45Å; A197-L230 HydrophobicContact CB-CD1 4.36Å; A197-L230 HydrophobicContact CB-CD2 3.83Å; A197-L230 HydrophobicContact CB-CG 3.94Å; K198-L230 HydrophobicContact CB-CD1 4.16Å; K198-L230 HydrophobicContact CB-CD2 4.04Å; L226-L230 WeakPolarHBondContact O-CG 3.37Å; L226-L230 PolarHBondContact O-N 2.87Å; R227-L230 PolarHBondContact O-N 3.46Å; L230-T234 VanDerWaalsContact O-CB 3.24Å; L230-T234 WeakPolarHBondContact O-CB 3.45Å; L230-T234 PolarHBondContact O-N 3.09Å; L230-T234 PolarHBondContact O-OG1 3.24Å
231T96.2Very high90.7Very high93 Ų9368.3 Ų68.357%0.57135%0.347SS*.Hα-helixtrans-63.7-48.1178.5-55.90000110.7R227 D228 N229 S235R227-T231 PolarHBondContact O-N 3.15Å; R227-T231 PolarHBondContact O-OG1 3.45Å; D228-T231 PolarHBondContact O-N 2.71Å; N229-T231 VanDerWaalsContact C-N 3.25Å; N229-T231 PolarHBondContact O-N 2.68Å; T231-S235 PolarHBondContact O-N 3.04Å; T231-S235 PolarHBondContact O-OG 3.12Å
232L94.9Very high89.4Confident91 Ų9166.7 Ų66.748%0.47635%0.348SS..Hα-helixtrans-60.9-51.3178.7-18066.4000111.9D228 N229 T234 S235 D236D228-L232 PolarHBondContact O-N 3.5Å; N229-L232 PolarHBondContact O-N 2.72Å; L232-T234 VanDerWaalsContact C-N 3.33Å; L232-T234 PolarHBondContact O-N 3.21Å; L232-S235 PolarHBondContact O-N 3.47Å; L232-S235 PolarHBondContact O-OG 3.42Å; L232-D236 VanDerWaalsContact O-CG 3.24Å; L232-D236 PolarHBondContact O-N 3.36Å; L232-D236 VanDerWaalsContact O-N 3.08Å
233W95.6Very high87.4Confident7 Ų767.8 Ų67.83%0.02737%0.366CS..Hα-helixtrans-70.7-30.8-174.5-57.5-26.3000112.9V181 Y184 A193 A197 N229 D236 Q237V181-W233 HydrophobicContact CG2-CH2 4.01Å; V181-W233 HydrophobicContact CG2-CZ2 3.98Å; Y184-W233 AromaticContact CD1-CD1 3.97Å; Y184-W233 AromaticContact CD1-CE2 4Å; Y184-W233 HydrophobicContact CD1-CZ2 4.46Å; Y184-W233 AromaticContact CD1-NE1 3.5Å; Y184-W233 HydrophobicContact CD2-CB 3.99Å; Y184-W233 AromaticContact CD2-CD1 3.45Å; Y184-W233 VanDerWaalsContact CD2-CD1 3.45Å; Y184-W233 AromaticContact CD2-CD2 3.67Å; Y184-W233 HydrophobicContact CD2-CD2 3.67Å; Y184-W233 AromaticContact CD2-CE2 3.79Å; Y184-W233 HydrophobicContact CD2-CE3 4.42Å; Y184-W233 AromaticContact CD2-CG 3.44Å; Y184-W233 HydrophobicContact CD2-CG 3.44Å; Y184-W233 VanDerWaalsContact CD2-CG 3.44Å; Y184-W233 AromaticContact CD2-NE1 3.64Å; Y184-W233 AromaticContact CE1-CD1 3.69Å; Y184-W233 AromaticContact CE1-NE1 3.58Å; Y184-W233 HydrophobicContact CE2-CB 3.67Å; Y184-W233 AromaticContact CE2-CD1 3.12Å; Y184-W233 HydrophobicContact CE2-CD2 4.1Å; Y184-W233 AromaticContact CE2-CG 3.36Å; Y184-W233 HydrophobicContact CE2-CG 3.36Å; Y184-W233 AromaticContact CE2-NE1 3.71Å; Y184-W233 AromaticContact CG-CD1 3.86Å; Y184-W233 HydrophobicContact CG-CD2 4Å; Y184-W233 AromaticContact CG-CE2 3.64Å; Y184-W233 HydrophobicContact CG-CG 4.12Å; Y184-W233 HydrophobicContact CG-CZ2 4.1Å; Y184-W233 AromaticContact CG-NE1 3.54Å; Y184-W233 AromaticContact CZ-CD1 3.26Å; Y184-W233 AromaticContact CZ-CG 3.99Å; Y184-W233 AromaticContact CZ-NE1 3.68Å; A193-W233 HydrophobicContact CB-CE3 4.18Å; A193-W233 HydrophobicContact CB-CZ3 4Å; A197-W233 HydrophobicContact CB-CZ3 4.27Å; N229-W233 HydrophobicContact CB-CD2 4.19Å; N229-W233 HydrophobicContact CB-CE3 4.08Å; N229-W233 HydrophobicContact CB-CH2 3.68Å; N229-W233 HydrophobicContact CB-CZ2 3.77Å; N229-W233 HydrophobicContact CB-CZ3 3.83Å; N229-W233 WeakPolarHBondContact O-CB 3.24Å; N229-W233 VanDerWaalsContact O-CD2 3.27Å; N229-W233 PolarHBondContact O-N 3.4Å; W233-D236 PolarHBondContact O-N 3.41Å; W233-Q237 WeakPolarHBondContact O-CG 3.43Å; W233-Q237 PolarHBondContact O-N 3.31Å
234T90.9Very high85.4Confident58 Ų5875.8 Ų75.836%0.35640%0.404SS..Hα-helixtrans-72.5-31.6175.2-53.10000111.7L230 L232 Q238L230-T234 VanDerWaalsContact O-CB 3.24Å; L230-T234 WeakPolarHBondContact O-CB 3.45Å; L230-T234 PolarHBondContact O-N 3.09Å; L230-T234 PolarHBondContact O-OG1 3.24Å; L232-T234 VanDerWaalsContact C-N 3.33Å; L232-T234 PolarHBondContact O-N 3.21Å; T234-Q238 WeakPolarHBondContact O-CG 3.36Å; T234-Q238 PolarHBondContact O-N 3.15Å
235S88.1Confident82.9Confident47 Ų4775.7 Ų75.733%0.32942%0.42SS..Hα-helixtrans-69.9-40.7172.150.90000112.1T231 L232 Q237 Q238 D239T231-S235 PolarHBondContact O-N 3.04Å; T231-S235 PolarHBondContact O-OG 3.12Å; L232-S235 PolarHBondContact O-N 3.47Å; L232-S235 PolarHBondContact O-OG 3.42Å; S235-Q237 VanDerWaalsContact C-N 3.31Å; S235-Q237 PolarHBondContact O-N 3.09Å; S235-Q238 PolarHBondContact O-N 3.38Å; S235-Q238 VanDerWaalsContact O-N 3.14Å; S235-D239 PolarHBondContact O-N 3.14Å; S235-D239 VanDerWaalsContact O-N 3.09Å
236D82.5Confident80.1Confident45 Ų4582.1 Ų82.124%0.24146%0.455CS..Hα-helixtrans-61.2-41179.1-61.8-25.7000111.5Y184 L232 W233 Q238 D239 E240Y184-D236 PolarHBondContact OH-OD2 3.01Å; L232-D236 VanDerWaalsContact O-CG 3.24Å; L232-D236 PolarHBondContact O-N 3.36Å; L232-D236 VanDerWaalsContact O-N 3.08Å; W233-D236 PolarHBondContact O-N 3.41Å; D236-Q238 VanDerWaalsContact C-N 3.33Å; D236-Q238 PolarHBondContact O-N 3.09Å; D236-D239 PolarHBondContact O-N 3.29Å; D236-E240 WeakPolarHBondContact O-CG 3.38Å; D236-E240 PolarHBondContact O-N 2.98Å
237Q79.9Confident79.1Confident45 Ų4586.3 Ų86.321%0.2148%0.478CS..Hα-helixtrans-61.4-38.6175.7-74.3179.1-28.700112.9W233 S235 E241W233-Q237 WeakPolarHBondContact O-CG 3.43Å; W233-Q237 PolarHBondContact O-N 3.31Å; S235-Q237 VanDerWaalsContact C-N 3.31Å; S235-Q237 PolarHBondContact O-N 3.09Å; Q237-E241 WeakPolarHBondContact O-CG 3.41Å; Q237-E241 PolarHBondContact O-N 3.42Å; Q237-E241 VanDerWaalsContact O-N 3.09Å
238Q76.6Confident78.2Confident123 Ų12384.5 Ų84.558%0.57548%0.479SS*.Hα-helixtrans-69.2-37.2177.9-70.3172.421.100112T234 S235 D236 A242T234-Q238 WeakPolarHBondContact O-CG 3.36Å; T234-Q238 PolarHBondContact O-N 3.15Å; S235-Q238 PolarHBondContact O-N 3.38Å; S235-Q238 VanDerWaalsContact O-N 3.14Å; D236-Q238 VanDerWaalsContact C-N 3.33Å; D236-Q238 PolarHBondContact O-N 3.09Å; Q238-A242 WeakPolarHBondContact O-CB 3.43Å; Q238-A242 PolarHBondContact O-N 3.08Å; Q238-A242 VanDerWaalsContact O-N 3.08Å
239D76.3Confident77.1Confident119 Ų11985.3 Ų85.364%0.63649%0.485SS*.Hα-helixtrans-70.6-37.7177.8-74.7-17.5000111.8S235 D236 G243S235-D239 PolarHBondContact O-N 3.14Å; S235-D239 VanDerWaalsContact O-N 3.09Å; D236-D239 PolarHBondContact O-N 3.29Å; D239-G243 PolarHBondContact O-N 3.08Å; D239-G243 VanDerWaalsContact O-N 3.08Å
240E73.7Confident75.9Confident127 Ų12788.2 Ų88.259%0.59350%0.502SS*.Hα-helixtrans-64-47.5173.6-73.9179.3178.200111.7D236 A242 G243 E244D236-E240 WeakPolarHBondContact O-CG 3.38Å; D236-E240 PolarHBondContact O-N 2.98Å; E240-A242 VanDerWaalsContact C-N 3.32Å; E240-A242 PolarHBondContact O-N 3.39Å; E240-G243 PolarHBondContact O-N 3.21Å; E240-G243 VanDerWaalsContact O-N 3.15Å; E240-E244 PolarHBondContact O-N 3.15Å
241E71.6Confident74.5Confident150 Ų15092.1 Ų92.170%0.70153%0.525SS*.Hα-helixtrans-62.6-36.1177.2-74.5179.2-176.100112.8Q237Q237-E241 WeakPolarHBondContact O-CG 3.41Å; Q237-E241 PolarHBondContact O-N 3.42Å; Q237-E241 VanDerWaalsContact O-N 3.09Å
242A69.2Low73.1Confident69 Ų6992 Ų9257%0.5752%0.522SS*.Hα-helixtrans-71.5-29.9176.100000112.8Q238 E240Q238-A242 WeakPolarHBondContact O-CB 3.43Å; Q238-A242 PolarHBondContact O-N 3.08Å; Q238-A242 VanDerWaalsContact O-N 3.08Å; E240-A242 VanDerWaalsContact C-N 3.32Å; E240-A242 PolarHBondContact O-N 3.39Å
243G57.2Low71.5Confident51 Ų5192.1 Ų92.153%0.52653%0.525SS..Hα-helixtrans-74.4-32.5179.200000114.2D239 E240 G245D239-G243 PolarHBondContact O-N 3.08Å; D239-G243 VanDerWaalsContact O-N 3.08Å; E240-G243 PolarHBondContact O-N 3.21Å; E240-G243 VanDerWaalsContact O-N 3.15Å; G243-G245 PolarHBondContact O-N 3.39Å
244E55.6Low69.7Low175 Ų17598.6 Ų98.682%0.81856%0.563SS**THydrogen-bonded Turntrans-76.5-7.5177-66.9-168.5163.800113.8E240E240-E244 PolarHBondContact O-N 3.15Å
245G45.5Very low67.9Low62 Ų62102 Ų10264%0.63958%0.581SS**THydrogen-bonded Turntrans-86.62.3-178.300000116.8G243G243-G245 PolarHBondContact O-N 3.39Å
246N38.8Very low66.1Low211 Ų211107 Ų107100%1.12860%0.603SS**  trans-122.30-178.6-75.6-35.9000112.9

Retrieved 246 of 246 residues in 302.5 ms (Link to these results)

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