A0A5K4F3E7_SCHMA Loading...

Palmitoyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3E7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 909 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
1M42Very low68.8Low150 Ų15091.7 Ų91.774%0.73952%0.522SS*.  0760-172178.2-161.900107.8R248 L251M1-R248 PolarHBondContact SD-NH2 3.42Å; M1-L251 HydrophobicContact CE-CD1 4.06Å; M1-L251 HydrophobicContact SD-CD1 4.35Å
2M46.1Very low71Confident130 Ų13087.2 Ų87.264%0.6450%0.498SS*.  trans-70.8159.2178.3-64.7161.582.100109.4V10M2-V10 HydrophobicContact CE-CG1 4.22Å
3C48.2Very low72.8Confident24 Ų2481 Ų8116%0.16246%0.464CS..  trans-67.9165.8170.2-63.60000110.3A5 C120C3-A5 PolarHBondContact O-N 3.11Å; C3-C120 PolarHBondContact SG-SG 3.3Å
4S54.2Low74.5Confident137 Ų13781.1 Ų81.196%0.95847%0.467SS*.SBendtrans-73.362.8161.3-62.80000109.2
5A58.2Low75.9Confident33 Ų3379.9 Ų79.927%0.27346%0.461SS..  trans-68.2141.6178.900000109.9C3 D9 V10C3-A5 PolarHBondContact O-N 3.11Å; A5-D9 VanDerWaalsContact CA-OD2 3.26Å; A5-D9 WeakPolarHBondContact CA-OD2 3.45Å; A5-D9 HydrophobicContact CB-CB 4.01Å; A5-V10 HydrophobicContact CB-CG2 3.72Å
6K76Confident77.1Confident164 Ų16475.8 Ų75.871%0.71344%0.44SS*.  trans-64.6151.8154.3-63.2176.3-179.8179.60107A8 D9K6-A8 PolarHBondContact O-N 2.9Å; K6-A8 VanDerWaalsContact O-N 3.08Å; K6-D9 PolarHBondContact N-OD2 2.91Å; K6-D9 PolarHBondContact O-N 3.36Å
7V80.8Confident78.3Confident125 Ų12574.9 Ų74.976%0.75843%0.427SS*.Hα-helixtrans-52.5-38179.1179.50000111.1D9 V10 I11V7-D9 VanDerWaalsContact C-N 3.33Å; V7-D9 PolarHBondContact O-N 2.82Å; V7-V10 WeakPolarHBondContact O-CB 3.41Å; V7-V10 PolarHBondContact O-N 3.3Å; V7-V10 VanDerWaalsContact O-N 3.07Å; V7-I11 PolarHBondContact O-N 3.13Å
8A84.5Confident79.3Confident61 Ų6174.8 Ų74.850%0.50443%0.432SS..Hα-helixtrans-50.4-43.6173.900000114.4K6 V10 I11 P12K6-A8 PolarHBondContact O-N 2.9Å; K6-A8 VanDerWaalsContact O-N 3.08Å; A8-V10 PolarHBondContact O-N 3.2Å; A8-I11 PolarHBondContact O-N 3.08Å; A8-P12 WeakPolarHBondContact O-CD 3.46Å
9D83Confident80.2Confident57 Ų5775.4 Ų75.431%0.30543%0.433SS..Hα-helixtrans-68.6-17.8-176.5-35.1-34.8000111.9A5 K6 V7A5-D9 VanDerWaalsContact CA-OD2 3.26Å; A5-D9 WeakPolarHBondContact CA-OD2 3.45Å; A5-D9 HydrophobicContact CB-CB 4.01Å; K6-D9 PolarHBondContact N-OD2 2.91Å; K6-D9 PolarHBondContact O-N 3.36Å; V7-D9 VanDerWaalsContact C-N 3.33Å; V7-D9 PolarHBondContact O-N 2.82Å
10V89.9Confident81Confident33 Ų3373 Ų7320%0.242%0.418CS..Hα-helixtrans-91.2-23.3180-164.40000112M2 A5 V7 A8 A13 V14M2-V10 HydrophobicContact CE-CG1 4.22Å; A5-V10 HydrophobicContact CB-CG2 3.72Å; V7-V10 WeakPolarHBondContact O-CB 3.41Å; V7-V10 PolarHBondContact O-N 3.3Å; V7-V10 VanDerWaalsContact O-N 3.07Å; A8-V10 PolarHBondContact O-N 3.2Å; V10-A13 PolarHBondContact O-N 2.82Å; V10-V14 HydrophobicContact CG1-CG2 4.13Å; V10-V14 PolarHBondContact O-N 3.47Å; V10-V14 VanDerWaalsContact O-N 3.09Å
11I93.7Very high81.8Confident95 Ų9572.8 Ų72.849%0.48742%0.419SS..Hα-helixtrans-56.8-47.4-174.6-63.1176.2000112.5V7 A8 A13 V14 V15V7-I11 PolarHBondContact O-N 3.13Å; A8-I11 PolarHBondContact O-N 3.08Å; I11-A13 VanDerWaalsContact C-N 3.29Å; I11-A13 PolarHBondContact O-N 2.92Å; I11-V14 PolarHBondContact O-N 3.15Å; I11-V14 VanDerWaalsContact O-N 3.12Å; I11-V15 HydrophobicContact CG2-CG2 4.17Å; I11-V15 WeakPolarHBondContact O-CG2 3.32Å; I11-V15 PolarHBondContact O-N 3Å
12P95.2Very high84.5Confident37 Ų3767.3 Ų67.324%0.2440%0.4CS..Hα-helixtrans-61.4-36.7-178.4-24.135.7000112.8A8 V15 A16 P132 W133A8-P12 WeakPolarHBondContact O-CD 3.46Å; P12-V15 PolarHBondContact O-N 3.3Å; P12-A16 WeakPolarHBondContact O-CB 3.38Å; P12-A16 PolarHBondContact O-N 2.87Å; P12-P132 HydrophobicContact CB-CB 3.83Å; P12-P132 HydrophobicContact CG-CB 3.95Å; P12-W133 HydrophobicContact CB-CD2 4.37Å; P12-W133 HydrophobicContact CB-CE3 3.85Å; P12-W133 HydrophobicContact CB-CZ3 4.1Å
13A95.1Very high86.9Confident7 Ų762.5 Ų62.56%0.05838%0.377CS..Hα-helixtrans-66.6-44.817400000112V10 I11 V15 A16 W17 P132 W133 N135V10-A13 PolarHBondContact O-N 2.82Å; I11-A13 VanDerWaalsContact C-N 3.29Å; I11-A13 PolarHBondContact O-N 2.92Å; A13-V15 VanDerWaalsContact C-N 3.29Å; A13-V15 PolarHBondContact O-N 3.38Å; A13-A16 PolarHBondContact O-N 3.48Å; A13-W17 WeakPolarHBondContact O-CB 3.27Å; A13-W17 PolarHBondContact O-N 3.23Å; A13-P132 WeakPolarHBondContact CB-O 3.48Å; A13-P132 PolarHBondContact N-O 3.39Å; A13-W133 WeakPolarHBondContact CA-O 3.19Å; A13-N135 HydrophobicContact CB-CB 3.82Å
14V96Very high89.3Confident83 Ų8361.9 Ų61.950%0.50337%0.373SS..Hα-helixtrans-60.1-41.7176.8174.10000110.9V10 I11 S18V10-V14 HydrophobicContact CG1-CG2 4.13Å; V10-V14 PolarHBondContact O-N 3.47Å; V10-V14 VanDerWaalsContact O-N 3.09Å; I11-V14 PolarHBondContact O-N 3.15Å; I11-V14 VanDerWaalsContact O-N 3.12Å; V14-S18 VanDerWaalsContact O-CB 3.23Å; V14-S18 WeakPolarHBondContact O-CB 3.49Å; V14-S18 PolarHBondContact O-N 3.4Å; V14-S18 PolarHBondContact O-OG 2.79Å
15V95.7Very high91.3Very high62 Ų6257.6 Ų57.638%0.37635%0.345SS..Hα-helixtrans-63-49.5175.2172.50000111.2I11 P12 A13 W17 S18 L19I11-V15 HydrophobicContact CG2-CG2 4.17Å; I11-V15 WeakPolarHBondContact O-CG2 3.32Å; I11-V15 PolarHBondContact O-N 3Å; P12-V15 PolarHBondContact O-N 3.3Å; A13-V15 VanDerWaalsContact C-N 3.29Å; A13-V15 PolarHBondContact O-N 3.38Å; V15-W17 PolarHBondContact O-N 3.26Å; V15-S18 PolarHBondContact O-N 2.94Å; V15-L19 HydrophobicContact CG1-CD1 3.79Å; V15-L19 HydrophobicContact CG1-CG 4.31Å; V15-L19 WeakPolarHBondContact O-CB 3.43Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 3.34Å
16A95.8Very high93.2Very high15 Ų1558.7 Ų58.712%0.12435%0.348CS..Hα-helixtrans-59.7-46.8178.600000112.6P12 A13 L19 I20 W133P12-A16 WeakPolarHBondContact O-CB 3.38Å; P12-A16 PolarHBondContact O-N 2.87Å; A13-A16 PolarHBondContact O-N 3.48Å; A16-L19 PolarHBondContact O-N 3.43Å; A16-I20 WeakPolarHBondContact O-CB 3.25Å; A16-I20 WeakPolarHBondContact O-CD1 3.33Å; A16-I20 VanDerWaalsContact O-CG1 3.24Å; A16-I20 WeakPolarHBondContact O-CG1 3.46Å; A16-I20 PolarHBondContact O-N 2.75Å; A16-W133 HydrophobicContact CB-CB 4.25Å; A16-W133 HydrophobicContact CB-CE3 4.13Å
17W97Very high94.2Very high60 Ų6050.9 Ų50.923%0.22731%0.314CS..Hα-helixtrans-61.8-43.2175.8-85.383000111.9A13 V15 V21 L58 T59 T62 F63A13-W17 WeakPolarHBondContact O-CB 3.27Å; A13-W17 PolarHBondContact O-N 3.23Å; V15-W17 PolarHBondContact O-N 3.26Å; W17-V21 HydrophobicContact CE3-CG2 4.45Å; W17-V21 WeakPolarHBondContact O-CB 3.31Å; W17-V21 VanDerWaalsContact O-CG2 3.32Å; W17-V21 WeakPolarHBondContact O-CG2 3.3Å; W17-V21 PolarHBondContact O-N 3.07Å; W17-L58 HydrophobicContact CD2-CD2 3.75Å; W17-L58 HydrophobicContact CD2-CG 4.25Å; W17-L58 HydrophobicContact CE3-CD2 3.99Å; W17-L58 HydrophobicContact CG-CD2 4.26Å; W17-L58 HydrophobicContact CH2-CD2 4.25Å; W17-L58 HydrophobicContact CH2-CG 4.11Å; W17-L58 HydrophobicContact CZ2-CD1 4.47Å; W17-L58 HydrophobicContact CZ2-CD2 4.03Å; W17-L58 HydrophobicContact CZ2-CG 3.64Å; W17-L58 HydrophobicContact CZ3-CD2 4.22Å; W17-T59 HydrophobicContact CH2-CG2 3.67Å; W17-T62 HydrophobicContact CZ2-CG2 4.33Å; W17-T62 PolarHBondContact NE1-OG1 2.93Å; W17-F63 HydrophobicContact CH2-CE2 4.33Å; W17-F63 HydrophobicContact CZ2-CE2 4.15Å; W17-F63 HydrophobicContact CZ2-CZ 4.48Å
18S96.4Very high95.1Very high74 Ų7446.4 Ų46.452%0.51729%0.286SS..Hα-helixtrans-66.6-39.3179.1-59.40000112.6V14 V15 G22V14-S18 VanDerWaalsContact O-CB 3.23Å; V14-S18 WeakPolarHBondContact O-CB 3.49Å; V14-S18 PolarHBondContact O-N 3.4Å; V14-S18 PolarHBondContact O-OG 2.79Å; V15-S18 PolarHBondContact O-N 2.94Å; S18-G22 WeakPolarHBondContact O-CA 3.45Å; S18-G22 PolarHBondContact O-N 3.45Å
19L95.7Very high95.6Very high86 Ų8647.5 Ų47.545%0.4529%0.287SS..Hα-helixtrans-65.7-50.2174.8-72171.2000111.2V15 A16 I23V15-L19 HydrophobicContact CG1-CD1 3.79Å; V15-L19 HydrophobicContact CG1-CG 4.31Å; V15-L19 WeakPolarHBondContact O-CB 3.43Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 3.34Å; A16-L19 PolarHBondContact O-N 3.43Å; L19-I23 HydrophobicContact CB-CD1 4.42Å; L19-I23 HydrophobicContact CD2-CD1 4.27Å; L19-I23 VanDerWaalsContact O-CB 3.27Å; L19-I23 WeakPolarHBondContact O-CB 3.36Å; L19-I23 VanDerWaalsContact O-CG1 3.27Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 3.46Å
20I97.2Very high96.2Very high26 Ų2649.1 Ų49.113%0.13329%0.291CS..Hα-helixtrans-61.8-49.7-178.7-68.4165.9000110.7A16 T24 L58 F149 L153A16-I20 WeakPolarHBondContact O-CB 3.25Å; A16-I20 WeakPolarHBondContact O-CD1 3.33Å; A16-I20 VanDerWaalsContact O-CG1 3.24Å; A16-I20 WeakPolarHBondContact O-CG1 3.46Å; A16-I20 PolarHBondContact O-N 2.75Å; I20-T24 WeakPolarHBondContact O-CB 3.46Å; I20-T24 PolarHBondContact O-N 3.37Å; I20-T24 PolarHBondContact O-OG1 3.22Å; I20-L58 HydrophobicContact CD1-CD2 4.03Å; I20-F149 HydrophobicContact CD1-CE2 4Å; I20-F149 HydrophobicContact CD1-CZ 3.79Å; I20-L153 HydrophobicContact CD1-CD2 4.35Å; I20-L153 HydrophobicContact CG1-CD1 4.4Å
21V97.7Very high96.6Very high70 Ų7047.6 Ų47.642%0.42428%0.282SS..Hα-helixtrans-70.8-44.3-179.2176.30000111.2W17 T24 A25 L55W17-V21 HydrophobicContact CE3-CG2 4.45Å; W17-V21 WeakPolarHBondContact O-CB 3.31Å; W17-V21 VanDerWaalsContact O-CG2 3.32Å; W17-V21 WeakPolarHBondContact O-CG2 3.3Å; W17-V21 PolarHBondContact O-N 3.07Å; V21-T24 PolarHBondContact O-N 2.87Å; V21-A25 VanDerWaalsContact O-CB 3.28Å; V21-A25 WeakPolarHBondContact O-CB 3.36Å; V21-A25 PolarHBondContact O-N 2.73Å; V21-L55 HydrophobicContact CG2-CD2 4.04Å
22G97.4Very high96.8Very high34 Ų3443 Ų4335%0.35126%0.259SS..Hα-helixtrans-66.4-50.6-176.600000113.5S18 T24 A25 V26S18-G22 WeakPolarHBondContact O-CA 3.45Å; S18-G22 PolarHBondContact O-N 3.45Å; G22-T24 VanDerWaalsContact C-N 3.3Å; G22-T24 PolarHBondContact O-N 2.72Å; G22-A25 PolarHBondContact O-N 3.42Å; G22-V26 WeakPolarHBondContact O-CG2 3.26Å; G22-V26 PolarHBondContact O-N 3.48Å
23I97.1Very high96.8Very high29 Ų2946.2 Ų46.215%0.14927%0.269CS..Hα-helixtrans-63.7-39.7177.7-62.5169.1000110L19 V26 Y27 T186 L189 V190L19-I23 HydrophobicContact CB-CD1 4.42Å; L19-I23 HydrophobicContact CD2-CD1 4.27Å; L19-I23 VanDerWaalsContact O-CB 3.27Å; L19-I23 WeakPolarHBondContact O-CB 3.36Å; L19-I23 VanDerWaalsContact O-CG1 3.27Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 3.46Å; I23-V26 PolarHBondContact O-N 3.1Å; I23-Y27 WeakPolarHBondContact O-CB 3.27Å; I23-Y27 PolarHBondContact O-N 2.96Å; I23-T186 HydrophobicContact CG2-CG2 4.41Å; I23-L189 HydrophobicContact CD1-CB 4.12Å; I23-L189 HydrophobicContact CD1-CD1 4.39Å; I23-L189 HydrophobicContact CG1-CD1 4.41Å; I23-V190 HydrophobicContact CG2-CG2 3.88Å
24T97.9Very high96.8Very high12 Ų1249.5 Ų49.57%0.07428%0.283CS..Hα-helixtrans-66.3-39.1176.7-61.10000112.4I20 V21 G22 Y27 L28 V51 H156I20-T24 WeakPolarHBondContact O-CB 3.46Å; I20-T24 PolarHBondContact O-N 3.37Å; I20-T24 PolarHBondContact O-OG1 3.22Å; V21-T24 PolarHBondContact O-N 2.87Å; G22-T24 VanDerWaalsContact C-N 3.3Å; G22-T24 PolarHBondContact O-N 2.72Å; T24-Y27 PolarHBondContact O-N 3.24Å; T24-L28 HydrophobicContact CG2-CD1 3.98Å; T24-L28 HydrophobicContact CG2-CG 4.32Å; T24-L28 WeakPolarHBondContact O-CB 3.35Å; T24-L28 VanDerWaalsContact O-CG 3.31Å; T24-L28 WeakPolarHBondContact O-CG 3.5Å; T24-L28 PolarHBondContact O-N 2.93Å; T24-V51 HydrophobicContact CG2-CB 4.18Å; T24-V51 HydrophobicContact CG2-CG1 3.64Å; T24-V51 HydrophobicContact CG2-CG2 3.38Å; T24-H156 PolarHBondContact OG1-NE2 2.93Å
25A97.8Very high96.9Very high47 Ų4746.5 Ų46.539%0.38826%0.263SS..Hα-helixtrans-63.6-48.6175.700000111.1V21 G22 Y27 L28 T29V21-A25 VanDerWaalsContact O-CB 3.28Å; V21-A25 WeakPolarHBondContact O-CB 3.36Å; V21-A25 PolarHBondContact O-N 2.73Å; G22-A25 PolarHBondContact O-N 3.42Å; A25-Y27 VanDerWaalsContact C-N 3.33Å; A25-Y27 PolarHBondContact O-N 3.47Å; A25-L28 PolarHBondContact O-N 2.92Å; A25-T29 PolarHBondContact O-N 3.34Å; A25-T29 PolarHBondContact O-OG1 3.46Å
26V97.5Very high97Very high55 Ų5543.6 Ų43.633%0.33325%0.246SC..Hα-helixtrans-58.6-44.4175.8169.70000111.3G22 I23 F30 I182G22-V26 WeakPolarHBondContact O-CG2 3.26Å; G22-V26 PolarHBondContact O-N 3.48Å; I23-V26 PolarHBondContact O-N 3.1Å; V26-F30 HydrophobicContact CB-CD2 4.46Å; V26-F30 HydrophobicContact CG1-CD2 4.07Å; V26-F30 WeakPolarHBondContact O-CB 3.4Å; V26-F30 PolarHBondContact O-N 3.42Å; V26-I182 HydrophobicContact CG1-CG2 3.85Å
27Y98.1Very high97Very high0 Ų045.5 Ų45.50%026%0.262CS..Iπ-helixtrans-59.3-50.4174.2168.2-100.3000111.9I23 T24 A25 I31 C32 H47 V160 I163I23-Y27 WeakPolarHBondContact O-CB 3.27Å; I23-Y27 PolarHBondContact O-N 2.96Å; T24-Y27 PolarHBondContact O-N 3.24Å; A25-Y27 VanDerWaalsContact C-N 3.33Å; A25-Y27 PolarHBondContact O-N 3.47Å; Y27-I31 HydrophobicContact CD2-CB 4.06Å; Y27-I31 HydrophobicContact CD2-CD1 4.39Å; Y27-I31 HydrophobicContact CD2-CG2 4.08Å; Y27-I31 HydrophobicContact CE2-CB 4.41Å; Y27-I31 HydrophobicContact CE2-CG2 4.02Å; Y27-I31 CarbonylContact O-C 3.5Å; Y27-I31 WeakPolarHBondContact O-CB 3.38Å; Y27-I31 PolarHBondContact O-N 3.44Å; Y27-I31 VanDerWaalsContact O-N 3.13Å; Y27-C32 HydrophobicContact CD1-CB 4.1Å; Y27-C32 HydrophobicContact CE1-CB 3.53Å; Y27-C32 HydrophobicContact CE2-CB 4.16Å; Y27-C32 WeakPolarHBondContact O-CB 3.33Å; Y27-C32 PolarHBondContact O-N 2.86Å; Y27-C32 PolarHBondContact OH-SG 2.94Å; Y27-C32 VanDerWaalsContact OH-SG 3.38Å; Y27-H47 HydrophobicContact CE1-CB 4.5Å; Y27-H47 AromaticContact CE1-ND1 3.58Å; Y27-H47 AromaticContact CZ-ND1 3.64Å; Y27-H47 PolarHBondContact OH-CE1 3.01Å; Y27-H47 PolarHBondContact OH-ND1 3.44Å; Y27-V160 HydrophobicContact CD1-CG2 3.75Å; Y27-V160 HydrophobicContact CD2-CB 4.23Å; Y27-V160 HydrophobicContact CD2-CG1 3.67Å; Y27-V160 HydrophobicContact CD2-CG2 4.11Å; Y27-V160 HydrophobicContact CE1-CG2 3.93Å; Y27-V160 HydrophobicContact CE2-CB 4.33Å; Y27-V160 HydrophobicContact CE2-CG1 4.18Å; Y27-V160 HydrophobicContact CE2-CG2 4.26Å; Y27-V160 HydrophobicContact CG-CB 4.42Å; Y27-V160 HydrophobicContact CG-CG1 3.94Å; Y27-V160 HydrophobicContact CG-CG2 3.85Å; Y27-I163 HydrophobicContact CE2-CB 4.1Å; Y27-I163 HydrophobicContact CE2-CG2 4.05Å; Y27-I163 VanDerWaalsContact OH-CB 3.31Å; Y27-I163 WeakPolarHBondContact OH-CB 3.3Å; Y27-I163 WeakPolarHBondContact OH-CG2 3.33Å
28L97.7Very high96.9Very high31 Ų3147.5 Ų47.516%0.16228%0.281CS..Iπ-helixtrans-64.1-44.5-176.6-74.1174.3000112T24 A25 C32 F33 F44 V51T24-L28 HydrophobicContact CG2-CD1 3.98Å; T24-L28 HydrophobicContact CG2-CG 4.32Å; T24-L28 WeakPolarHBondContact O-CB 3.35Å; T24-L28 VanDerWaalsContact O-CG 3.31Å; T24-L28 WeakPolarHBondContact O-CG 3.5Å; T24-L28 PolarHBondContact O-N 2.93Å; A25-L28 PolarHBondContact O-N 2.92Å; L28-C32 HydrophobicContact CD2-CB 4.21Å; L28-F33 WeakPolarHBondContact O-CB 3.39Å; L28-F33 PolarHBondContact O-N 2.92Å; L28-F44 HydrophobicContact CD2-CE2 4.25Å; L28-V51 HydrophobicContact CD1-CG1 4.49Å; L28-V51 HydrophobicContact CD1-CG2 4.44Å
29T96.6Very high96.9Very high84 Ų8449.9 Ų49.952%0.51528%0.279SS..Iπ-helixtrans-79-44.7-174.757.70000113.8A25A25-T29 PolarHBondContact O-N 3.34Å; A25-T29 PolarHBondContact O-OG1 3.46Å
30F95.8Very high97Very high91 Ų9148 Ų4840%0.39927%0.273SS..Iπ-helixtrans-95.4-24.8-172.1-64-74.4000114V26 Q34 I182V26-F30 HydrophobicContact CB-CD2 4.46Å; V26-F30 HydrophobicContact CG1-CD2 4.07Å; V26-F30 WeakPolarHBondContact O-CB 3.4Å; V26-F30 PolarHBondContact O-N 3.42Å; F30-Q34 VanDerWaalsContact O-CD 3.3Å; F30-Q34 PolarHBondContact O-OE1 3.45Å; F30-I182 HydrophobicContact CB-CG2 4.11Å; F30-I182 HydrophobicContact CD1-CD1 4.31Å; F30-I182 HydrophobicContact CG-CD1 4.34Å
31I97.2Very high97Very high1 Ų153 Ų531%0.00529%0.29CS..Iπ-helixtrans-114.3-63-172.3-60.3158.9000110.4Y27 F33 Q34 F35 T164 I182 R183 T186Y27-I31 HydrophobicContact CD2-CB 4.06Å; Y27-I31 HydrophobicContact CD2-CD1 4.39Å; Y27-I31 HydrophobicContact CD2-CG2 4.08Å; Y27-I31 HydrophobicContact CE2-CB 4.41Å; Y27-I31 HydrophobicContact CE2-CG2 4.02Å; Y27-I31 CarbonylContact O-C 3.5Å; Y27-I31 WeakPolarHBondContact O-CB 3.38Å; Y27-I31 PolarHBondContact O-N 3.44Å; Y27-I31 VanDerWaalsContact O-N 3.13Å; I31-F33 PolarHBondContact O-N 3.27Å; I31-Q34 PolarHBondContact O-N 2.95Å; I31-F35 WeakPolarHBondContact O-CB 3.23Å; I31-F35 PolarHBondContact O-N 3.46Å; I31-T164 HydrophobicContact CD1-CG2 3.76Å; I31-T164 HydrophobicContact CG2-CG2 4.28Å; I31-I182 HydrophobicContact CD1-CG2 4.35Å; I31-R183 HydrophobicContact CD1-CG 4.27Å; I31-R183 HydrophobicContact CG1-CG 3.99Å; I31-T186 HydrophobicContact CD1-CG2 3.93Å
32C97.5Very high97Very high0 Ų053.3 Ų53.30%030%0.295CS..Iπ-helixtrans-64-39.3-174-162.50000113Y27 L28 A36 F44Y27-C32 HydrophobicContact CD1-CB 4.1Å; Y27-C32 HydrophobicContact CE1-CB 3.53Å; Y27-C32 HydrophobicContact CE2-CB 4.16Å; Y27-C32 WeakPolarHBondContact O-CB 3.33Å; Y27-C32 PolarHBondContact O-N 2.86Å; Y27-C32 PolarHBondContact OH-SG 2.94Å; Y27-C32 VanDerWaalsContact OH-SG 3.38Å; L28-C32 HydrophobicContact CD2-CB 4.21Å; C32-A36 WeakPolarHBondContact O-CB 3.23Å; C32-A36 PolarHBondContact O-N 3.35Å; C32-F44 HydrophobicContact CB-CD2 4.3Å
33F96.9Very high97Very high104 Ų10453.5 Ų53.546%0.45629%0.288SS..Hα-helixtrans-63-46.6177.8-174.9-89000111.8L28 I31 A37 W41 F44L28-F33 WeakPolarHBondContact O-CB 3.39Å; L28-F33 PolarHBondContact O-N 2.92Å; I31-F33 PolarHBondContact O-N 3.27Å; F33-A37 WeakPolarHBondContact O-CB 3.13Å; F33-A37 PolarHBondContact O-N 3.31Å; F33-W41 AromaticContact CD2-CH2 3.98Å; F33-W41 HydrophobicContact CD2-CH2 3.98Å; F33-W41 AromaticContact CD2-CZ3 3.97Å; F33-W41 HydrophobicContact CD2-CZ3 3.97Å; F33-W41 HydrophobicContact CE1-CH2 4.37Å; F33-W41 AromaticContact CE2-CH2 3.59Å; F33-W41 HydrophobicContact CE2-CH2 3.59Å; F33-W41 AromaticContact CE2-CZ3 3.88Å; F33-W41 HydrophobicContact CE2-CZ3 3.88Å; F33-W41 AromaticContact CZ-CH2 3.8Å; F33-W41 HydrophobicContact CZ-CH2 3.8Å; F33-F44 HydrophobicContact CB-CD2 4.46Å; F33-F44 HydrophobicContact CB-CE2 4.15Å; F33-F44 HydrophobicContact CD2-CE2 4.22Å
34Q95Very high97Very high76 Ų7654.9 Ų54.936%0.35529%0.293SS..Hα-helixtrans-65.2-45178-62.4-172.6-3.400111.7F30 I31 A37 T38F30-Q34 VanDerWaalsContact O-CD 3.3Å; F30-Q34 PolarHBondContact O-OE1 3.45Å; I31-Q34 PolarHBondContact O-N 2.95Å; Q34-A37 PolarHBondContact O-N 2.97Å; Q34-T38 PolarHBondContact O-N 3.18Å; Q34-T38 PolarHBondContact O-OG1 3.02Å
35F96.8Very high97Very high19 Ų1958.2 Ų58.28%0.08331%0.313CS..Hα-helixtrans-63.8-43.4178.5-166.1-91.8000111.8I31 T38 Y39 I43 I163 A166 L170I31-F35 WeakPolarHBondContact O-CB 3.23Å; I31-F35 PolarHBondContact O-N 3.46Å; F35-T38 PolarHBondContact O-N 2.84Å; F35-Y39 AromaticContact CD1-CD2 3.8Å; F35-Y39 HydrophobicContact CD1-CD2 3.8Å; F35-Y39 HydrophobicContact CD1-CE2 4.5Å; F35-Y39 AromaticContact CD2-CD2 3.81Å; F35-Y39 HydrophobicContact CD2-CD2 3.81Å; F35-Y39 AromaticContact CD2-CE2 3.69Å; F35-Y39 HydrophobicContact CD2-CE2 3.69Å; F35-Y39 AromaticContact CE1-CD2 3.62Å; F35-Y39 HydrophobicContact CE1-CD2 3.62Å; F35-Y39 HydrophobicContact CE1-CE2 4.23Å; F35-Y39 HydrophobicContact CE1-CG 4.35Å; F35-Y39 AromaticContact CE2-CD2 3.65Å; F35-Y39 HydrophobicContact CE2-CD2 3.65Å; F35-Y39 AromaticContact CE2-CE2 3.39Å; F35-Y39 HydrophobicContact CE2-CE2 3.39Å; F35-Y39 AromaticContact CG-CD2 3.89Å; F35-Y39 HydrophobicContact CG-CD2 3.89Å; F35-Y39 HydrophobicContact CG-CE2 4.25Å; F35-Y39 AromaticContact CZ-CD2 3.55Å; F35-Y39 HydrophobicContact CZ-CD2 3.55Å; F35-Y39 AromaticContact CZ-CE2 3.69Å; F35-Y39 HydrophobicContact CZ-CE2 3.69Å; F35-Y39 HydrophobicContact CZ-CG 4.44Å; F35-Y39 WeakPolarHBondContact O-CD2 3.36Å; F35-Y39 PolarHBondContact O-N 3.4Å; F35-I43 HydrophobicContact CD1-CD1 4.05Å; F35-I43 HydrophobicContact CE1-CD1 3.89Å; F35-I163 HydrophobicContact CB-CG2 4.19Å; F35-I163 HydrophobicContact CD1-CD1 4.13Å; F35-I163 HydrophobicContact CD1-CG2 3.77Å; F35-I163 HydrophobicContact CD2-CG2 4.38Å; F35-I163 HydrophobicContact CE1-CD1 3.69Å; F35-I163 HydrophobicContact CE1-CG2 4.22Å; F35-I163 HydrophobicContact CG-CG2 3.86Å; F35-I163 HydrophobicContact CZ-CD1 4.33Å; F35-A166 HydrophobicContact CE2-CB 3.94Å; F35-A166 HydrophobicContact CZ-CB 4Å; F35-L170 HydrophobicContact CE2-CD1 4.49Å
36A97.4Very high97Very high1 Ų161.5 Ų61.51%0.00832%0.324CS..Hα-helixtrans-68.7-34.6177.700000113.2C32 T38 S40 W41 F44C32-A36 WeakPolarHBondContact O-CB 3.23Å; C32-A36 PolarHBondContact O-N 3.35Å; A36-T38 PolarHBondContact O-N 3.13Å; A36-S40 WeakPolarHBondContact CA-O 3.47Å; A36-S40 WeakPolarHBondContact CB-O 3.43Å; A36-S40 CarbonylContact O-C 3.59Å; A36-S40 WeakPolarHBondContact O-CA 3.43Å; A36-S40 PolarHBondContact O-N 3.17Å; A36-W41 HydrophobicContact CB-CE3 4.44Å; A36-W41 PolarHBondContact O-N 2.98Å; A36-F44 HydrophobicContact CB-CB 3.66Å
37A96.7Very high97Very high56 Ų5659.9 Ų59.946%0.46331%0.312SS..Hα-helixtrans-66.1-26.5172.800000113F33 Q34 W41F33-A37 WeakPolarHBondContact O-CB 3.13Å; F33-A37 PolarHBondContact O-N 3.31Å; Q34-A37 PolarHBondContact O-N 2.97Å; A37-W41 HydrophobicContact CB-CH2 4.3Å; A37-W41 HydrophobicContact CB-CZ2 3.9Å
38T95.4Very high97Very high102 Ų10261.7 Ų61.763%0.62633%0.327SS*.Hα-helixtrans-85.1-43.8177.1-53.60000112.5Q34 F35 A36Q34-T38 PolarHBondContact O-N 3.18Å; Q34-T38 PolarHBondContact O-OG1 3.02Å; F35-T38 PolarHBondContact O-N 2.84Å; A36-T38 PolarHBondContact O-N 3.13Å
39Y96.1Very high97Very high123 Ų12365.1 Ų65.148%0.48235%0.345SS..SBendtrans-106.7-54.3-171.3-62.8-71000114.3F35F35-Y39 AromaticContact CD1-CD2 3.8Å; F35-Y39 HydrophobicContact CD1-CD2 3.8Å; F35-Y39 HydrophobicContact CD1-CE2 4.5Å; F35-Y39 AromaticContact CD2-CD2 3.81Å; F35-Y39 HydrophobicContact CD2-CD2 3.81Å; F35-Y39 AromaticContact CD2-CE2 3.69Å; F35-Y39 HydrophobicContact CD2-CE2 3.69Å; F35-Y39 AromaticContact CE1-CD2 3.62Å; F35-Y39 HydrophobicContact CE1-CD2 3.62Å; F35-Y39 HydrophobicContact CE1-CE2 4.23Å; F35-Y39 HydrophobicContact CE1-CG 4.35Å; F35-Y39 AromaticContact CE2-CD2 3.65Å; F35-Y39 HydrophobicContact CE2-CD2 3.65Å; F35-Y39 AromaticContact CE2-CE2 3.39Å; F35-Y39 HydrophobicContact CE2-CE2 3.39Å; F35-Y39 AromaticContact CG-CD2 3.89Å; F35-Y39 HydrophobicContact CG-CD2 3.89Å; F35-Y39 HydrophobicContact CG-CE2 4.25Å; F35-Y39 AromaticContact CZ-CD2 3.55Å; F35-Y39 HydrophobicContact CZ-CD2 3.55Å; F35-Y39 AromaticContact CZ-CE2 3.69Å; F35-Y39 HydrophobicContact CZ-CE2 3.69Å; F35-Y39 HydrophobicContact CZ-CG 4.44Å; F35-Y39 WeakPolarHBondContact O-CD2 3.36Å; F35-Y39 PolarHBondContact O-N 3.4Å
40S97.1Very high97.1Very high46 Ų4663.1 Ų63.132%0.32233%0.331SS..  trans-171.7132.4174.9178.40000112.8A36 S42 I43A36-S40 WeakPolarHBondContact CA-O 3.47Å; A36-S40 WeakPolarHBondContact CB-O 3.43Å; A36-S40 CarbonylContact O-C 3.59Å; A36-S40 WeakPolarHBondContact O-CA 3.43Å; A36-S40 PolarHBondContact O-N 3.17Å; S40-S42 PolarHBondContact O-N 3.4Å; S40-S42 WeakPolarHBondContact OG-CB 3.47Å; S40-S42 PolarHBondContact OG-N 2.99Å; S40-S42 VanDerWaalsContact OG-N 3.12Å; S40-S42 PolarHBondContact OG-OG 3.26Å; S40-I43 WeakPolarHBondContact O-CB 3.32Å; S40-I43 WeakPolarHBondContact O-CG1 3.33Å; S40-I43 PolarHBondContact O-N 3.43Å; S40-I43 VanDerWaalsContact O-N 3.09Å
41W97.6Very high97.2Very high133 Ų13359.5 Ų59.550%0.50432%0.316SS..Hα-helixtrans-59.6-22.5170.8-72.2103.5000113.9F33 A36 A37 I43 F44 V45F33-W41 AromaticContact CD2-CH2 3.98Å; F33-W41 HydrophobicContact CD2-CH2 3.98Å; F33-W41 AromaticContact CD2-CZ3 3.97Å; F33-W41 HydrophobicContact CD2-CZ3 3.97Å; F33-W41 HydrophobicContact CE1-CH2 4.37Å; F33-W41 AromaticContact CE2-CH2 3.59Å; F33-W41 HydrophobicContact CE2-CH2 3.59Å; F33-W41 AromaticContact CE2-CZ3 3.88Å; F33-W41 HydrophobicContact CE2-CZ3 3.88Å; F33-W41 AromaticContact CZ-CH2 3.8Å; F33-W41 HydrophobicContact CZ-CH2 3.8Å; A36-W41 HydrophobicContact CB-CE3 4.44Å; A36-W41 PolarHBondContact O-N 2.98Å; A37-W41 HydrophobicContact CB-CH2 4.3Å; A37-W41 HydrophobicContact CB-CZ2 3.9Å; W41-I43 PolarHBondContact O-N 3Å; W41-F44 HydrophobicContact CE3-CB 4.28Å; W41-F44 PolarHBondContact O-N 2.89Å; W41-F44 VanDerWaalsContact O-N 3.15Å; W41-V45 PolarHBondContact O-N 3.47Å; W41-V45 VanDerWaalsContact O-N 3.1Å
42S97.1Very high97.3Very high75 Ų7566.3 Ų66.352%0.52435%0.346SS..Hα-helixtrans-58.8-31.5173.8-54.70000112.4S40 V45 L46S40-S42 PolarHBondContact O-N 3.4Å; S40-S42 WeakPolarHBondContact OG-CB 3.47Å; S40-S42 PolarHBondContact OG-N 2.99Å; S40-S42 VanDerWaalsContact OG-N 3.12Å; S40-S42 PolarHBondContact OG-OG 3.26Å; S42-V45 PolarHBondContact O-N 3.21Å; S42-L46 WeakPolarHBondContact O-CB 3.35Å; S42-L46 VanDerWaalsContact O-CG 3.28Å; S42-L46 WeakPolarHBondContact O-CG 3.21Å; S42-L46 PolarHBondContact O-N 2.95Å
43I97Very high97.3Very high39 Ų3971.6 Ų71.620%0.237%0.367CS..Hα-helixtrans-63.9-49.1176.3-57.4172.1000109.7F35 S40 W41 V45 L46 H47 I163F35-I43 HydrophobicContact CD1-CD1 4.05Å; F35-I43 HydrophobicContact CE1-CD1 3.89Å; S40-I43 WeakPolarHBondContact O-CB 3.32Å; S40-I43 WeakPolarHBondContact O-CG1 3.33Å; S40-I43 PolarHBondContact O-N 3.43Å; S40-I43 VanDerWaalsContact O-N 3.09Å; W41-I43 PolarHBondContact O-N 3Å; I43-V45 VanDerWaalsContact C-N 3.33Å; I43-V45 PolarHBondContact O-N 3.02Å; I43-L46 PolarHBondContact O-N 3.44Å; I43-H47 PolarHBondContact O-CD2 3.47Å; I43-H47 PolarHBondContact O-N 3.45Å; I43-I163 HydrophobicContact CG2-CD1 4.06Å; I43-I163 HydrophobicContact CG2-CG1 4.49Å
44F97.5Very high97.4Very high58 Ų5866.8 Ų66.825%0.25435%0.346SS..Hα-helixtrans-59.9-43.1178.2-169.5-91.9000111.9L28 C32 F33 A36 W41 H47 A48L28-F44 HydrophobicContact CD2-CE2 4.25Å; C32-F44 HydrophobicContact CB-CD2 4.3Å; F33-F44 HydrophobicContact CB-CD2 4.46Å; F33-F44 HydrophobicContact CB-CE2 4.15Å; F33-F44 HydrophobicContact CD2-CE2 4.22Å; A36-F44 HydrophobicContact CB-CB 3.66Å; W41-F44 HydrophobicContact CE3-CB 4.28Å; W41-F44 PolarHBondContact O-N 2.89Å; W41-F44 VanDerWaalsContact O-N 3.15Å; F44-H47 PolarHBondContact O-N 3.03Å; F44-A48 VanDerWaalsContact O-CB 3.27Å; F44-A48 WeakPolarHBondContact O-CB 3.3Å; F44-A48 PolarHBondContact O-N 3.38Å
45V97.8Very high97.5Very high82 Ų8265.7 Ų65.750%0.49734%0.342SS..Hα-helixtrans-63.7-46.5178.11750000111.7W41 S42 I43 A48 I49W41-V45 PolarHBondContact O-N 3.47Å; W41-V45 VanDerWaalsContact O-N 3.1Å; S42-V45 PolarHBondContact O-N 3.21Å; I43-V45 VanDerWaalsContact C-N 3.33Å; I43-V45 PolarHBondContact O-N 3.02Å; V45-A48 PolarHBondContact O-N 2.83Å; V45-I49 HydrophobicContact CG1-CD1 3.86Å; V45-I49 VanDerWaalsContact O-CG1 3.3Å; V45-I49 WeakPolarHBondContact O-CG1 3.22Å; V45-I49 PolarHBondContact O-N 2.95Å
46L98Very high97.6Very high116 Ų11666.9 Ų66.961%0.60735%0.352SS*.Hα-helixtrans-63.3-42.6178.7-72.4170.1000112S42 I43 I49 L50S42-L46 WeakPolarHBondContact O-CB 3.35Å; S42-L46 VanDerWaalsContact O-CG 3.28Å; S42-L46 WeakPolarHBondContact O-CG 3.21Å; S42-L46 PolarHBondContact O-N 2.95Å; I43-L46 PolarHBondContact O-N 3.44Å; L46-I49 PolarHBondContact O-N 2.69Å; L46-L50 PolarHBondContact O-N 2.82Å
47H98Very high97.7Very high20 Ų2067.1 Ų67.19%0.09335%0.354CS..Hα-helixtrans-67.1-38.9175.8-77.7-116.7000112Y27 I43 F44 I49 L50 V51 A159Y27-H47 HydrophobicContact CE1-CB 4.5Å; Y27-H47 AromaticContact CE1-ND1 3.58Å; Y27-H47 AromaticContact CZ-ND1 3.64Å; Y27-H47 PolarHBondContact OH-CE1 3.01Å; Y27-H47 PolarHBondContact OH-ND1 3.44Å; I43-H47 PolarHBondContact O-CD2 3.47Å; I43-H47 PolarHBondContact O-N 3.45Å; F44-H47 PolarHBondContact O-N 3.03Å; H47-I49 PolarHBondContact O-N 3.3Å; H47-L50 PolarHBondContact O-N 2.67Å; H47-V51 WeakPolarHBondContact O-CB 3.22Å; H47-V51 VanDerWaalsContact O-CG2 3.26Å; H47-V51 WeakPolarHBondContact O-CG2 3.31Å; H47-V51 PolarHBondContact O-N 2.92Å; H47-A159 VanDerWaalsContact CE1-CB 3.48Å; H47-A159 WeakPolarHBondContact CE1-CB 3.42Å
48A97.7Very high97.7Very high38 Ų3864.6 Ų64.631%0.31433%0.332SS..Hα-helixtrans-63.2-39.8175.200000112.4F44 V45 V51 F52F44-A48 VanDerWaalsContact O-CB 3.27Å; F44-A48 WeakPolarHBondContact O-CB 3.3Å; F44-A48 PolarHBondContact O-N 3.38Å; V45-A48 PolarHBondContact O-N 2.83Å; A48-V51 PolarHBondContact O-N 3Å; A48-F52 WeakPolarHBondContact O-CB 3.32Å; A48-F52 PolarHBondContact O-N 2.86Å
49I98.4Very high97.8Very high104 Ų10462.2 Ų62.253%0.53332%0.318SS..Hα-helixtrans-64.2-43.9174.1-68.9165.2000110.9V45 L46 H47 F52 Y53V45-I49 HydrophobicContact CG1-CD1 3.86Å; V45-I49 VanDerWaalsContact O-CG1 3.3Å; V45-I49 WeakPolarHBondContact O-CG1 3.22Å; V45-I49 PolarHBondContact O-N 2.95Å; L46-I49 PolarHBondContact O-N 2.69Å; H47-I49 PolarHBondContact O-N 3.3Å; I49-F52 PolarHBondContact O-N 3.35Å; I49-Y53 PolarHBondContact O-N 3.06Å
50L98.4Very high97.9Very high41 Ų4162 Ų6222%0.21532%0.316CS..Hα-helixtrans-62.5-45.8176.9179.657.5000111.7L46 H47 F52 Y53 V54 H156 A159L46-L50 PolarHBondContact O-N 2.82Å; H47-L50 PolarHBondContact O-N 2.67Å; L50-F52 PolarHBondContact O-N 2.85Å; L50-Y53 PolarHBondContact O-N 3.38Å; L50-V54 HydrophobicContact CD1-CG2 4.5Å; L50-V54 WeakPolarHBondContact O-CG2 3.27Å; L50-V54 PolarHBondContact O-N 3.12Å; L50-H156 HydrophobicContact CD2-CB 4.06Å; L50-H156 HydrophobicContact CG-CB 4.19Å; L50-A159 HydrophobicContact CD2-CB 4.42Å
51V98.2Very high97.9Very high16 Ų1659.9 Ų59.910%0.09730%0.301CS..Hα-helixtrans-59.5-46.1175.4166.70000111.5T24 L28 H47 A48 Y53 V54 L55 H156T24-V51 HydrophobicContact CG2-CB 4.18Å; T24-V51 HydrophobicContact CG2-CG1 3.64Å; T24-V51 HydrophobicContact CG2-CG2 3.38Å; L28-V51 HydrophobicContact CD1-CG1 4.49Å; L28-V51 HydrophobicContact CD1-CG2 4.44Å; H47-V51 WeakPolarHBondContact O-CB 3.22Å; H47-V51 VanDerWaalsContact O-CG2 3.26Å; H47-V51 WeakPolarHBondContact O-CG2 3.31Å; H47-V51 PolarHBondContact O-N 2.92Å; A48-V51 PolarHBondContact O-N 3Å; V51-Y53 VanDerWaalsContact C-N 3.31Å; V51-Y53 PolarHBondContact O-N 3.38Å; V51-V54 PolarHBondContact O-N 2.92Å; V51-L55 HydrophobicContact CG1-CD1 4.01Å; V51-L55 WeakPolarHBondContact O-CG 3.32Å; V51-L55 PolarHBondContact O-N 2.79Å; V51-H156 WeakPolarHBondContact CG2-CE1 3.42Å
52F98.3Very high97.8Very high143 Ų14354.5 Ų54.563%0.62728%0.283SS*.Hα-helixtrans-58.7-43.6175.4179.9-103.4000111.4A48 I49 L50 L55 C56A48-F52 WeakPolarHBondContact O-CB 3.32Å; A48-F52 PolarHBondContact O-N 2.86Å; I49-F52 PolarHBondContact O-N 3.35Å; L50-F52 PolarHBondContact O-N 2.85Å; F52-L55 PolarHBondContact O-N 3.25Å; F52-C56 WeakPolarHBondContact O-CB 3.32Å; F52-C56 PolarHBondContact O-N 3.49Å; F52-C56 PolarHBondContact O-SG 2.94Å
53Y98.6Very high97.7Very high112 Ų11257.3 Ų57.344%0.43929%0.286SS..Hα-helixtrans-64.6-41.8176.8-174.8-91.3000113.2I49 L50 V51 L55 C56 C57I49-Y53 PolarHBondContact O-N 3.06Å; L50-Y53 PolarHBondContact O-N 3.38Å; V51-Y53 VanDerWaalsContact C-N 3.31Å; V51-Y53 PolarHBondContact O-N 3.38Å; Y53-L55 PolarHBondContact O-N 3.22Å; Y53-C56 PolarHBondContact O-N 3.41Å; Y53-C57 WeakPolarHBondContact CE1-SG 3.43Å; Y53-C57 PolarHBondContact O-N 3.29Å; Y53-C57 PolarHBondContact O-SG 2.93Å
54V98.6Very high97.6Very high2 Ų256.8 Ų56.81%0.01228%0.283CS..Hα-helixtrans-57.9-48.5173.6170.60000110.3L50 V51 C56 C57 L58 F149 S152 L153 H156L50-V54 HydrophobicContact CD1-CG2 4.5Å; L50-V54 WeakPolarHBondContact O-CG2 3.27Å; L50-V54 PolarHBondContact O-N 3.12Å; V51-V54 PolarHBondContact O-N 2.92Å; V54-C56 PolarHBondContact O-N 3.28Å; V54-C57 PolarHBondContact O-N 2.92Å; V54-C57 VanDerWaalsContact O-N 3.17Å; V54-L58 WeakPolarHBondContact O-CB 3.41Å; V54-L58 PolarHBondContact O-N 3.46Å; V54-F149 HydrophobicContact CG1-CD2 4.23Å; V54-F149 HydrophobicContact CG1-CE2 4.2Å; V54-S152 WeakPolarHBondContact CG2-O 3.34Å; V54-L153 HydrophobicContact CG1-CD1 4.42Å; V54-H156 HydrophobicContact CG2-CB 4.14Å
55L98.1Very high97.4Very high54 Ų5454.8 Ų54.828%0.28328%0.275SS..Hα-helixtrans-66-36.2178.2-65.8173.6000112.1V21 V51 F52 Y53 C57 L58 T59V21-L55 HydrophobicContact CG2-CD2 4.04Å; V51-L55 HydrophobicContact CG1-CD1 4.01Å; V51-L55 WeakPolarHBondContact O-CG 3.32Å; V51-L55 PolarHBondContact O-N 2.79Å; F52-L55 PolarHBondContact O-N 3.25Å; Y53-L55 PolarHBondContact O-N 3.22Å; L55-C57 VanDerWaalsContact C-N 3.35Å; L55-C57 PolarHBondContact O-N 2.87Å; L55-L58 PolarHBondContact O-N 2.97Å; L55-T59 WeakPolarHBondContact O-CB 3.27Å; L55-T59 WeakPolarHBondContact O-CG2 3.33Å; L55-T59 PolarHBondContact O-N 2.84Å; L55-T59 PolarHBondContact O-OG1 3.39Å
56C98.2Very high97.3Very high44 Ų4450.9 Ų50.930%0.29725%0.251SS..Hα-helixtrans-65-33.4171.5-75.10000113.2F52 Y53 V54 T59 R60F52-C56 WeakPolarHBondContact O-CB 3.32Å; F52-C56 PolarHBondContact O-N 3.49Å; F52-C56 PolarHBondContact O-SG 2.94Å; Y53-C56 PolarHBondContact O-N 3.41Å; V54-C56 PolarHBondContact O-N 3.28Å; C56-T59 WeakPolarHBondContact CA-OG1 3.33Å; C56-T59 PolarHBondContact O-OG1 3.49Å; C56-R60 WeakPolarHBondContact O-CB 3.09Å; C56-R60 WeakPolarHBondContact O-CG 3.31Å; C56-R60 PolarHBondContact O-N 3.25Å
57C98.2Very high97.1Very high6 Ų645.5 Ų45.54%0.04122%0.223CC..Hα-helixtrans-77.9-38.1175.2-64.30000111.8Y53 V54 L55 T61 F149Y53-C57 WeakPolarHBondContact CE1-SG 3.43Å; Y53-C57 PolarHBondContact O-N 3.29Å; Y53-C57 PolarHBondContact O-SG 2.93Å; V54-C57 PolarHBondContact O-N 2.92Å; V54-C57 VanDerWaalsContact O-N 3.17Å; L55-C57 VanDerWaalsContact C-N 3.35Å; L55-C57 PolarHBondContact O-N 2.87Å; C57-T61 WeakPolarHBondContact O-CB 3.41Å; C57-T61 PolarHBondContact O-N 3.05Å; C57-T61 PolarHBondContact O-OG1 3.08Å; C57-F149 HydrophobicContact CB-CB 3.68Å
58L97.8Very high96.9Very high2 Ų245.3 Ų45.31%0.0122%0.222CC..Hα-helixtrans-66.5-47.5176.4-178.758.6000112.4W17 I20 V54 L55 R60 T61 T62 V134 F149W17-L58 HydrophobicContact CD2-CD2 3.75Å; W17-L58 HydrophobicContact CD2-CG 4.25Å; W17-L58 HydrophobicContact CE3-CD2 3.99Å; W17-L58 HydrophobicContact CG-CD2 4.26Å; W17-L58 HydrophobicContact CH2-CD2 4.25Å; W17-L58 HydrophobicContact CH2-CG 4.11Å; W17-L58 HydrophobicContact CZ2-CD1 4.47Å; W17-L58 HydrophobicContact CZ2-CD2 4.03Å; W17-L58 HydrophobicContact CZ2-CG 3.64Å; W17-L58 HydrophobicContact CZ3-CD2 4.22Å; I20-L58 HydrophobicContact CD1-CD2 4.03Å; V54-L58 WeakPolarHBondContact O-CB 3.41Å; V54-L58 PolarHBondContact O-N 3.46Å; L55-L58 PolarHBondContact O-N 2.97Å; L58-R60 PolarHBondContact O-N 2.96Å; L58-T61 PolarHBondContact O-N 3.45Å; L58-T62 WeakPolarHBondContact O-CB 3.5Å; L58-T62 PolarHBondContact O-N 2.83Å; L58-T62 PolarHBondContact O-OG1 3.07Å; L58-V134 HydrophobicContact CD1-CG1 3.91Å; L58-F149 HydrophobicContact CB-CD2 3.83Å; L58-F149 HydrophobicContact CB-CE2 3.89Å; L58-F149 HydrophobicContact CD1-CD2 4.32Å; L58-F149 HydrophobicContact CD1-CE1 4.28Å; L58-F149 HydrophobicContact CD1-CE2 3.88Å; L58-F149 HydrophobicContact CD1-CZ 3.85Å; L58-F149 HydrophobicContact CD2-CE2 4.24Å; L58-F149 HydrophobicContact CG-CE2 4.21Å
59T97.7Very high96.6Very high52 Ų5244 Ų4432%0.31921%0.209SC..Hα-helixtrans-55.2-50.5173.344.30000111.2W17 L55 C56 T61 T62 F63W17-T59 HydrophobicContact CH2-CG2 3.67Å; L55-T59 WeakPolarHBondContact O-CB 3.27Å; L55-T59 WeakPolarHBondContact O-CG2 3.33Å; L55-T59 PolarHBondContact O-N 2.84Å; L55-T59 PolarHBondContact O-OG1 3.39Å; C56-T59 WeakPolarHBondContact CA-OG1 3.33Å; C56-T59 PolarHBondContact O-OG1 3.49Å; T59-T61 PolarHBondContact O-N 2.97Å; T59-T62 PolarHBondContact O-N 3.17Å; T59-F63 HydrophobicContact CG2-CE2 4.43Å; T59-F63 WeakPolarHBondContact O-CD2 3.45Å; T59-F63 PolarHBondContact O-N 3.31Å
60R97.2Very high96.1Very high120 Ų12041.3 Ų41.345%0.45320%0.199SC..Hα-helixtrans-63-41.9179.5-70.9-177.881.1143.212.3111.8C56 L58 M64 Y145C56-R60 WeakPolarHBondContact O-CB 3.09Å; C56-R60 WeakPolarHBondContact O-CG 3.31Å; C56-R60 PolarHBondContact O-N 3.25Å; L58-R60 PolarHBondContact O-N 2.96Å; R60-M64 WeakPolarHBondContact O-CB 3.28Å; R60-M64 PolarHBondContact O-N 2.65Å; R60-Y145 HydrophobicContact CB-CD1 4.32Å; R60-Y145 HydrophobicContact CB-CD2 4.3Å; R60-Y145 HydrophobicContact CB-CG 3.98Å; R60-Y145 VanDerWaalsContact CZ-CZ 3.43Å; R60-Y145 PolarHBondContact NH2-OH 2.87Å
61T97.3Very high95.4Very high0 Ų043 Ų430%020%0.204CC..Hα-helixtrans-61.7-46.5177.1-59.90000112.1C57 L58 T59 V134 N136 I138 N142 Y145 F146C57-T61 WeakPolarHBondContact O-CB 3.41Å; C57-T61 PolarHBondContact O-N 3.05Å; C57-T61 PolarHBondContact O-OG1 3.08Å; L58-T61 PolarHBondContact O-N 3.45Å; T59-T61 PolarHBondContact O-N 2.97Å; T61-V134 HydrophobicContact CG2-CB 4.3Å; T61-V134 HydrophobicContact CG2-CG1 4.11Å; T61-V134 HydrophobicContact CG2-CG2 4.07Å; T61-N136 PolarHBondContact O-ND2 3.18Å; T61-I138 HydrophobicContact CG2-CD1 3.91Å; T61-N142 PolarHBondContact O-ND2 3.3Å; T61-Y145 PolarHBondContact OG1-O 3.21Å; T61-F146 HydrophobicContact CG2-CB 3.8Å; T61-F146 HydrophobicContact CG2-CD2 3.97Å; T61-F146 HydrophobicContact CG2-CG 4.37Å; T61-F146 WeakPolarHBondContact OG1-CA 3.32Å; T61-F146 PolarHBondContact OG1-N 3.42Å; T61-F146 VanDerWaalsContact OG1-N 3.11Å
62T96.3Very high94.6Very high20 Ų2043 Ų4312%0.12321%0.206CC..Hα-helixtrans-65.4-49.8-178.5-560000111.8W17 L58 T59 N136W17-T62 HydrophobicContact CZ2-CG2 4.33Å; W17-T62 PolarHBondContact NE1-OG1 2.93Å; L58-T62 WeakPolarHBondContact O-CB 3.5Å; L58-T62 PolarHBondContact O-N 2.83Å; L58-T62 PolarHBondContact O-OG1 3.07Å; T59-T62 PolarHBondContact O-N 3.17Å; T62-N136 PolarHBondContact O-ND2 2.76Å
63F95.5Very high93.6Very high134 Ų13439.8 Ų39.859%0.58820%0.198SC*.Hα-helixtrans-100.1-11.7-166.7-57.9-58.6000115.5W17 T59W17-F63 HydrophobicContact CH2-CE2 4.33Å; W17-F63 HydrophobicContact CZ2-CE2 4.15Å; W17-F63 HydrophobicContact CZ2-CZ 4.48Å; T59-F63 HydrophobicContact CG2-CE2 4.43Å; T59-F63 WeakPolarHBondContact O-CD2 3.45Å; T59-F63 PolarHBondContact O-N 3.31Å
64M93.4Very high92.4Very high28 Ų2839.8 Ų39.814%0.13820%0.202CC..SBendtrans-78.7140.3-179.7-172.7174.9-179.400112.2R60 P66 N136 R141 N142 Y145 Q245R60-M64 WeakPolarHBondContact O-CB 3.28Å; R60-M64 PolarHBondContact O-N 2.65Å; M64-P66 WeakPolarHBondContact O-CD 3.23Å; M64-N136 PolarHBondContact O-ND2 2.92Å; M64-R141 HydrophobicContact CE-CB 4.03Å; M64-R141 VanDerWaalsContact CE-O 3.27Å; M64-R141 WeakPolarHBondContact CE-O 3.27Å; M64-N142 HydrophobicContact CB-CB 4.35Å; M64-N142 HydrophobicContact CG-CB 4.47Å; M64-N142 HydrophobicContact SD-CB 4.3Å; M64-Y145 HydrophobicContact CE-CE2 4.06Å; M64-Y145 HydrophobicContact SD-CD2 3.61Å; M64-Y145 HydrophobicContact SD-CE2 3.55Å; M64-Y145 VanDerWaalsContact SD-CE2 3.55Å; M64-Q245 HydrophobicContact CE-CG 4.12Å
65D94.4Very high91.1Very high17 Ų1741.9 Ų41.99%0.09122%0.224CC..  trans-60.3119168.5-169.2-46000109.9G67 Y68 R141 R248D65-G67 VanDerWaalsContact C-N 3.29Å; D65-G67 PolarHBondContact O-N 2.71Å; D65-G67 PolarHBondContact OD1-N 3.2Å; D65-Y68 PolarHBondContact OD1-N 2.82Å; D65-R141 WeakPolarHBondContact O-CB 3.1Å; D65-R141 VanDerWaalsContact O-CD 3.24Å; D65-R141 WeakPolarHBondContact O-CD 3.45Å; D65-R141 PolarHBondContact O-NE 2.91Å; D65-R248 IonicContact OD2-CZ 3.27Å; D65-R248 IonicContact OD2-NE 3.23Å; D65-R248 PolarHBondContact OD2-NE 3.37Å; D65-R248 IonicContact OD2-NH2 2.69Å; D65-R248 PolarHBondContact OD2-NH2 3.22Å
66P95.1Very high89.9Confident0 Ų041.2 Ų41.20%022%0.22CC..  trans-74.2-16.1-175.830.4-36.2000113.9M64 Y68 V124 C137 G139 K140 R141 N142M64-P66 WeakPolarHBondContact O-CD 3.23Å; P66-Y68 HydrophobicContact CG-CD1 4.39Å; P66-Y68 HydrophobicContact CG-CD2 4.1Å; P66-Y68 HydrophobicContact CG-CE1 3.95Å; P66-Y68 HydrophobicContact CG-CE2 3.62Å; P66-Y68 HydrophobicContact CG-CG 4.45Å; P66-V124 HydrophobicContact CB-CG1 4.31Å; P66-V124 HydrophobicContact CG-CG1 4.44Å; P66-C137 HydrophobicContact CB-CB 4.26Å; P66-C137 WeakPolarHBondContact CB-O 3.49Å; P66-C137 HydrophobicContact CG-CB 3.99Å; P66-G139 CarbonylContact O-C 3.58Å; P66-G139 VanDerWaalsContact O-C 3.23Å; P66-K140 PolarHBondContact O-N 2.85Å; P66-R141 WeakPolarHBondContact O-CB 3.33Å; P66-R141 PolarHBondContact O-N 3.32Å; P66-N142 WeakPolarHBondContact CB-OD1 3.41Å
67G94.1Very high88.7Confident2 Ų239.6 Ų39.62%0.02121%0.209CC..  trans127.639.2-174.500000112.3D65 F69 D125D65-G67 VanDerWaalsContact C-N 3.29Å; D65-G67 PolarHBondContact O-N 2.71Å; D65-G67 PolarHBondContact OD1-N 3.2Å; G67-F69 PolarHBondContact O-N 2.81Å; G67-D125 WeakPolarHBondContact O-CB 3.19Å; G67-D125 PolarHBondContact O-N 3.29Å
68Y94.1Very high87.4Confident17 Ų1745.4 Ų45.47%0.06724%0.236CC..BIsolated β-bridgetrans-62.6134.4177.9-65.3-58.6000110.9D65 P66 C120 R122 C123 V124 N136D65-Y68 PolarHBondContact OD1-N 2.82Å; P66-Y68 HydrophobicContact CG-CD1 4.39Å; P66-Y68 HydrophobicContact CG-CD2 4.1Å; P66-Y68 HydrophobicContact CG-CE1 3.95Å; P66-Y68 HydrophobicContact CG-CE2 3.62Å; P66-Y68 HydrophobicContact CG-CG 4.45Å; Y68-C120 HydrophobicContact CE1-CB 3.91Å; Y68-C120 PolarHBondContact OH-SG 3.06Å; Y68-C120 VanDerWaalsContact OH-SG 3.41Å; Y68-R122 HydrophobicContact CD1-CB 3.53Å; Y68-R122 HydrophobicContact CD1-CG 4.28Å; Y68-R122 HydrophobicContact CE1-CB 3.98Å; Y68-R122 HydrophobicContact CG-CB 4.36Å; Y68-C123 WeakPolarHBondContact CA-O 3.35Å; Y68-V124 HydrophobicContact CD1-CG2 3.72Å; Y68-V124 HydrophobicContact CE1-CG2 3.57Å; Y68-N136 PolarHBondContact OH-OD1 3.08Å
69F90.6Very high85.9Confident9 Ų948.2 Ų48.24%0.03925%0.246CC..PPolyproline II helixtrans-79.2149163.2-76.3-88.7000110G67 F108 P111 C114 C123 D125 R249 P394G67-F69 PolarHBondContact O-N 2.81Å; F69-F108 HydrophobicContact CB-CE1 3.96Å; F69-F108 HydrophobicContact CB-CE2 4.41Å; F69-F108 HydrophobicContact CB-CZ 3.47Å; F69-F108 VanDerWaalsContact CB-CZ 3.47Å; F69-F108 HydrophobicContact CD1-CE2 4.25Å; F69-F108 HydrophobicContact CD1-CZ 4.1Å; F69-F108 HydrophobicContact CD2-CZ 4.2Å; F69-F108 HydrophobicContact CG-CE2 4.18Å; F69-F108 AromaticContact CG-CZ 3.67Å; F69-F108 HydrophobicContact CG-CZ 3.67Å; F69-P111 HydrophobicContact CE1-CG 4.26Å; F69-P111 HydrophobicContact CE2-CG 4.5Å; F69-P111 HydrophobicContact CZ-CG 3.86Å; F69-C114 HydrophobicContact CE2-CB 4.3Å; F69-C123 HydrophobicContact CB-CB 4.16Å; F69-C123 HydrophobicContact CD2-CB 4.21Å; F69-C123 PolarHBondContact N-O 3.49Å; F69-D125 HydrophobicContact CD2-CB 4.38Å; F69-D125 HydrophobicContact CE2-CB 3.64Å; F69-D125 HydrophobicContact CZ-CB 4.22Å; F69-R249 VanDerWaalsContact CZ-CZ 3.49Å; F69-P394 HydrophobicContact CE1-CB 4.12Å; F69-P394 HydrophobicContact CE1-CG 3.84Å; F69-P394 HydrophobicContact CZ-CG 4.44Å
70P87.2Confident84.5Confident48 Ų4846.5 Ų46.531%0.31224%0.235SC..PPolyproline II helixtrans-63.8166.5164.631.4-35.5000110.6L251P70-L251 HydrophobicContact CB-CD2 4.49Å
71F84.3Confident82.9Confident77 Ų7745.8 Ų45.834%0.33824%0.237SC..PPolyproline II helixtrans-72.2147.9161.5-63.6-93.4000108.3C106 R122F71-C106 HydrophobicContact CD1-CB 4.36Å; F71-R122 HydrophobicContact CE2-CG 4.4Å; F71-R122 HydrophobicContact CZ-CG 4.27Å
72A81.1Confident81.3Confident16 Ų1650.7 Ų50.713%0.13227%0.267CS..PPolyproline II helixtrans-61.6147.8170.500000110.4E76 C106 L107 F108A72-E76 HydrophobicContact CB-CB 4.11Å; A72-C106 PolarHBondContact N-O 3.4Å; A72-L107 HydrophobicContact CB-CB 4.08Å; A72-L107 WeakPolarHBondContact CB-O 3.37Å; A72-F108 HydrophobicContact CB-CB 4.48Å
73T77.7Confident79.7Confident75 Ų7554.2 Ų54.246%0.4628%0.281SS..PPolyproline II helixtrans-68.8158.5172.961.90000110.6G75 E76 A77T73-G75 VanDerWaalsContact C-N 3.26Å; T73-G75 PolarHBondContact O-N 2.69Å; T73-E76 WeakPolarHBondContact CB-OE2 3.32Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.38Å; T73-E76 PolarHBondContact N-OE2 3.37Å; T73-E76 PolarHBondContact O-N 3.31Å; T73-E76 VanDerWaalsContact OG1-CD 3.23Å; T73-E76 VanDerWaalsContact OG1-CG 3.28Å; T73-E76 WeakPolarHBondContact OG1-CG 3.34Å; T73-E76 PolarHBondContact OG1-OE2 2.83Å; T73-A77 PolarHBondContact O-N 2.9Å
74E72.9Confident78.1Confident113 Ų11353.1 Ų53.153%0.52829%0.29SS..Hα-helixtrans-57.8-39.1-175.6-67.8170.9151.500111.8A77 E78E74-A77 PolarHBondContact O-N 3.43Å; E74-E78 WeakPolarHBondContact O-CB 3.2Å; E74-E78 PolarHBondContact O-N 3.49Å
75G72Confident76.4Confident45 Ų4553.1 Ų53.146%0.46429%0.294SS..Hα-helixtrans-72.1-24.1174.700000115.3T73 Y79T73-G75 VanDerWaalsContact C-N 3.26Å; T73-G75 PolarHBondContact O-N 2.69Å; G75-Y79 VanDerWaalsContact O-CB 3.25Å; G75-Y79 WeakPolarHBondContact O-CB 3.23Å; G75-Y79 PolarHBondContact O-N 2.81Å
76E73.5Confident74.8Confident41 Ų4156.1 Ų56.119%0.19231%0.314CS..Hα-helixtrans-76.8-37.4172-73.2167.7135.800111.4A72 T73 E80 R392A72-E76 HydrophobicContact CB-CB 4.11Å; T73-E76 WeakPolarHBondContact CB-OE2 3.32Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.38Å; T73-E76 PolarHBondContact N-OE2 3.37Å; T73-E76 PolarHBondContact O-N 3.31Å; T73-E76 VanDerWaalsContact OG1-CD 3.23Å; T73-E76 VanDerWaalsContact OG1-CG 3.28Å; T73-E76 WeakPolarHBondContact OG1-CG 3.34Å; T73-E76 PolarHBondContact OG1-OE2 2.83Å; E76-E80 PolarHBondContact O-N 3.47Å; E76-R392 VanDerWaalsContact OE1-CB 3.28Å; E76-R392 WeakPolarHBondContact OE1-CB 3.49Å; E76-R392 PolarHBondContact OE1-N 3.09Å
77A73Confident73.4Confident9 Ų961.1 Ų61.17%0.07435%0.345CS..Hα-helixtrans-65-44172.200000111.5T73 E74 E80 E81 L107T73-A77 PolarHBondContact O-N 2.9Å; E74-A77 PolarHBondContact O-N 3.43Å; A77-E80 PolarHBondContact O-N 2.87Å; A77-E81 WeakPolarHBondContact O-CB 3.29Å; A77-E81 PolarHBondContact O-N 3.25Å; A77-L107 HydrophobicContact CB-CB 3.86Å; A77-L107 HydrophobicContact CB-CD1 3.78Å; A77-L107 HydrophobicContact CB-CG 4.32Å
78E69.8Low72.3Confident129 Ų12965 Ų6560%0.60336%0.362SS*.Hα-helixtrans-63.9-41.3176.2-174.7172.3-155.500112.2E74 E80 E81 T82E74-E78 WeakPolarHBondContact O-CB 3.2Å; E74-E78 PolarHBondContact O-N 3.49Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 2.92Å; E78-E81 PolarHBondContact O-N 3.4Å; E78-T82 HydrophobicContact CG-CG2 4.27Å; E78-T82 WeakPolarHBondContact O-CB 3.46Å; E78-T82 VanDerWaalsContact O-CG2 3.29Å; E78-T82 WeakPolarHBondContact O-CG2 3.34Å; E78-T82 PolarHBondContact O-N 2.92Å; E78-T82 PolarHBondContact O-OG1 3.07Å
79Y67.7Low71.4Confident60 Ų6067.5 Ų67.524%0.23537%0.371CS..Hα-helixtrans-64.3-30176.9176.9-108.2000114G75 T82 K83 L389 P391G75-Y79 VanDerWaalsContact O-CB 3.25Å; G75-Y79 WeakPolarHBondContact O-CB 3.23Å; G75-Y79 PolarHBondContact O-N 2.81Å; Y79-T82 PolarHBondContact O-OG1 3.01Å; Y79-K83 PolarHBondContact OH-NZ 3.33Å; Y79-L389 PolarHBondContact OH-O 3.13Å; Y79-P391 HydrophobicContact CD1-CB 4.09Å; Y79-P391 HydrophobicContact CD1-CG 4.19Å; Y79-P391 HydrophobicContact CE1-CB 4.22Å; Y79-P391 HydrophobicContact CE1-CG 3.97Å
80E66.7Low70.8Confident17 Ų1772 Ų728%0.07939%0.393CS..Hα-helixtrans-87.4-36.4174.3-67.9-79.4-149.700112.2E76 A77 E78 K83 A85 R89 W102E76-E80 PolarHBondContact O-N 3.47Å; A77-E80 PolarHBondContact O-N 2.87Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 2.92Å; E80-K83 PolarHBondContact O-N 3.14Å; E80-A85 HydrophobicContact CB-CB 4.45Å; E80-A85 WeakPolarHBondContact O-CB 3.49Å; E80-R89 IonicContact OE1-CZ 3.66Å; E80-R89 IonicContact OE1-NH1 2.76Å; E80-R89 PolarHBondContact OE1-NH1 3.12Å; E80-R89 IonicContact OE1-NH2 3.64Å; E80-R89 PolarHBondContact OE1-NH2 3.18Å; E80-R89 IonicContact OE2-CZ 3.63Å; E80-R89 IonicContact OE2-NH1 2.9Å; E80-R89 IonicContact OE2-NH2 2.63Å; E80-R89 PolarHBondContact OE2-NH2 3.03Å; E80-W102 HydrophobicContact CB-CH2 3.56Å; E80-W102 HydrophobicContact CB-CZ2 4.49Å; E80-W102 HydrophobicContact CB-CZ3 3.86Å; E80-W102 HydrophobicContact CG-CH2 4Å; E80-W102 HydrophobicContact CG-CZ3 3.96Å
81E64.9Low70.3Confident105 Ų10574 Ų7449%0.49140%0.395SS..Hα-helixtrans-62.1-45.3172.6-80-165-159.100111.3A77 E78 K83 S84 K268A77-E81 WeakPolarHBondContact O-CB 3.29Å; A77-E81 PolarHBondContact O-N 3.25Å; E78-E81 PolarHBondContact O-N 3.4Å; E81-K83 PolarHBondContact O-N 3.02Å; E81-K83 VanDerWaalsContact O-N 3.16Å; E81-S84 PolarHBondContact O-N 3.39Å; E81-K268 IonicContact OE1-NZ 2.77Å; E81-K268 IonicContact OE2-NZ 3.22Å; E81-K268 PolarHBondContact OE2-NZ 3.35Å
82T64.2Low70.3Confident103 Ų10375.5 Ų75.563%0.63241%0.406SS*.THydrogen-bonded Turntrans-64.3-17.9178.149.90000114E78 Y79E78-T82 HydrophobicContact CG-CG2 4.27Å; E78-T82 WeakPolarHBondContact O-CB 3.46Å; E78-T82 VanDerWaalsContact O-CG2 3.29Å; E78-T82 WeakPolarHBondContact O-CG2 3.34Å; E78-T82 PolarHBondContact O-N 2.92Å; E78-T82 PolarHBondContact O-OG1 3.07Å; Y79-T82 PolarHBondContact O-OG1 3.01Å
83K60.9Low70.3Confident94 Ų9475.4 Ų75.441%0.40940%0.403SS..THydrogen-bonded Turntrans-88.81.5179.6-108.1177.6171.5-179.80114.9Y79 E80 E81 A85Y79-K83 PolarHBondContact OH-NZ 3.33Å; E80-K83 PolarHBondContact O-N 3.14Å; E81-K83 PolarHBondContact O-N 3.02Å; E81-K83 VanDerWaalsContact O-N 3.16Å; K83-A85 PolarHBondContact O-N 2.98Å
84S63.1Low70.6Confident111 Ų11177.9 Ų77.978%0.77641%0.413SS*.THydrogen-bonded Turntrans48.742.9-169.7-610000111.6E81E81-S84 PolarHBondContact O-N 3.39Å
85A56.4Low70.9Confident27 Ų2775.5 Ų75.522%0.22342%0.419CS..  trans-60.6123.9-162.300000111.6E80 K83 Y109E80-A85 HydrophobicContact CB-CB 4.45Å; E80-A85 WeakPolarHBondContact O-CB 3.49Å; K83-A85 PolarHBondContact O-N 2.98Å; A85-Y109 HydrophobicContact CB-CE2 4.12Å; A85-Y109 VanDerWaalsContact CB-OH 3.24Å; A85-Y109 WeakPolarHBondContact CB-OH 3.47Å
86P62.2Low71.4Confident80 Ų8074.5 Ų74.552%0.51940%0.404SS..  trans-63.4140.2-169.424.3-34.6000111.6H88 Y109P86-H88 CarbonylContact O-C 3.33Å; P86-H88 PolarHBondContact O-N 3.26Å; P86-Y109 VanDerWaalsContact O-CE1 3.31Å; P86-Y109 WeakPolarHBondContact O-CE1 3.27Å; P86-Y109 PolarHBondContact O-OH 3.25Å
87V65.7Low71.8Confident106 Ų10677.6 Ų77.664%0.64242%0.421SS*.SBendtrans-50-31.2-172.8-177.30000113.3W102V87-W102 PolarHBondContact O-N 3.09Å
88H69.4Low72.1Confident82 Ų8278.4 Ų78.438%0.3843%0.428SS..EExtended strand (participates in β ladder)trans-117.8144.1173.4-58.592.9000111.3P86 V100 K101P86-H88 CarbonylContact O-C 3.33Å; P86-H88 PolarHBondContact O-N 3.26Å; H88-V100 VanDerWaalsContact CA-O 3.3Å; H88-V100 WeakPolarHBondContact CA-O 3.4Å; H88-K101 WeakPolarHBondContact NE2-CE 3.37Å
89R75.4Confident72.6Confident71 Ų7178.8 Ų78.827%0.26843%0.428SS..EExtended strand (participates in β ladder)trans-117.8151.1158.7-75.6178.3179.4158.69.1108.2E80 Y91 V100 Y109E80-R89 IonicContact OE1-CZ 3.66Å; E80-R89 IonicContact OE1-NH1 2.76Å; E80-R89 PolarHBondContact OE1-NH1 3.12Å; E80-R89 IonicContact OE1-NH2 3.64Å; E80-R89 PolarHBondContact OE1-NH2 3.18Å; E80-R89 IonicContact OE2-CZ 3.63Å; E80-R89 IonicContact OE2-NH1 2.9Å; E80-R89 IonicContact OE2-NH2 2.63Å; E80-R89 PolarHBondContact OE2-NH2 3.03Å; R89-Y91 HydrophobicContact CB-CE2 3.85Å; R89-V100 HydrophobicContact CB-CG2 3.76Å; R89-V100 PolarHBondContact N-O 3.15Å; R89-V100 WeakPolarHBondContact O-CG2 3.25Å; R89-V100 PolarHBondContact O-N 3.1Å; R89-Y109 HydrophobicContact CB-CD1 4.28Å; R89-Y109 HydrophobicContact CB-CE1 4.19Å; R89-Y109 HydrophobicContact CG-CD1 4.11Å; R89-Y109 HydrophobicContact CG-CE1 3.65Å; R89-Y109 HydrophobicContact CG-CE2 4.46Å; R89-Y109 PolarHBondContact NE-OH 3.14Å; R89-Y109 VanDerWaalsContact NH1-CD2 3.3Å
90E78.6Confident73.4Confident104 Ų10476.4 Ų76.449%0.48642%0.42SS..EExtended strand (participates in β ladder)trans-110.6135.4-179.4-69.9-179.8158.900110.4L97 K99E90-L97 HydrophobicContact CB-CD1 3.89Å; E90-L97 HydrophobicContact CB-CG 4.22Å; E90-L97 HydrophobicContact CG-CG 4.4Å; E90-K99 HydrophobicContact CG-CG 3.79Å; E90-K99 WeakPolarHBondContact OE1-CE 3.32Å; E90-K99 IonicContact OE1-NZ 2.83Å
91Y77.7Confident74.4Confident90 Ų9081.3 Ų81.335%0.35344%0.441SS..EExtended strand (participates in β ladder)trans-128.6126.2178.8-72.1-100.9000108.3R89 A98 V100R89-Y91 HydrophobicContact CB-CE2 3.85Å; Y91-A98 PolarHBondContact N-O 3.49Å; Y91-A98 WeakPolarHBondContact O-CB 3.22Å; Y91-A98 PolarHBondContact O-N 2.88Å; Y91-V100 HydrophobicContact CD2-CB 4.43Å; Y91-V100 HydrophobicContact CD2-CG1 3.89Å; Y91-V100 HydrophobicContact CD2-CG2 3.7Å; Y91-V100 HydrophobicContact CE2-CG1 4.28Å; Y91-V100 HydrophobicContact CE2-CG2 3.45Å; Y91-V100 VanDerWaalsContact CE2-CG2 3.45Å
92N82.7Confident75.4Confident107 Ų10779.3 Ų79.357%0.57243%0.429SS*.EExtended strand (participates in β ladder)trans-80.6122.2173.1-173.2-15.8000109.1G95 V96N92-G95 VanDerWaalsContact OD1-C 3.29Å; N92-G95 WeakPolarHBondContact OD1-CA 3.47Å; N92-G95 PolarHBondContact OD1-N 3.25Å; N92-V96 PolarHBondContact OD1-N 3.06Å
93I82.4Confident76.6Confident14 Ų1474.4 Ų74.47%0.07240%0.398CS..EExtended strand (participates in β ladder)trans-123.5109.5179.5-49.8177.8000107.4G95 V96 A98 P112 P228 F229I93-G95 PolarHBondContact O-N 3.07Å; I93-G95 VanDerWaalsContact O-N 3.14Å; I93-V96 PolarHBondContact N-O 2.9Å; I93-V96 PolarHBondContact O-N 3.24Å; I93-A98 HydrophobicContact CD1-CB 3.54Å; I93-A98 HydrophobicContact CG1-CB 4.05Å; I93-P112 HydrophobicContact CD1-CB 3.48Å; I93-P112 VanDerWaalsContact CD1-CB 3.48Å; I93-P112 HydrophobicContact CD1-CG 3.48Å; I93-P112 VanDerWaalsContact CD1-CG 3.48Å; I93-P228 HydrophobicContact CB-CB 4.36Å; I93-P228 HydrophobicContact CG2-CB 4.15Å; I93-P228 HydrophobicContact CG2-CG 4.49Å; I93-P228 VanDerWaalsContact O-CB 3.23Å; I93-P228 WeakPolarHBondContact O-CB 3.46Å; I93-F229 HydrophobicContact CD1-CE1 4.22Å; I93-F229 HydrophobicContact CD1-CZ 3.78Å; I93-F229 HydrophobicContact CG2-CD1 4.48Å; I93-F229 HydrophobicContact CG2-CE1 3.81Å; I93-F229 HydrophobicContact CG2-CZ 4.21Å
94N84Confident77.8Confident127 Ų12773.7 Ų73.768%0.67941%0.405SS*.THydrogen-bonded Turntrans50.337.8179.8-61.1-20000113.9P228N94-P228 HydrophobicContact CB-CB 4.16Å; N94-P228 PolarHBondContact ND2-O 3.45Å
95G79.1Confident79Confident64 Ų6470.6 Ų70.666%0.6638%0.382SS*.THydrogen-bonded Turntrans90-7-17800000115N92 I93N92-G95 VanDerWaalsContact OD1-C 3.29Å; N92-G95 WeakPolarHBondContact OD1-CA 3.47Å; N92-G95 PolarHBondContact OD1-N 3.25Å; I93-G95 PolarHBondContact O-N 3.07Å; I93-G95 VanDerWaalsContact O-N 3.14Å
96V82.1Confident80.5Confident24 Ų2469.4 Ų69.415%0.14537%0.372CS..EExtended strand (participates in β ladder)trans-102.6125.7-179.3178.90000110.9N92 I93 A98 L225 P228N92-V96 PolarHBondContact OD1-N 3.06Å; I93-V96 PolarHBondContact N-O 2.9Å; I93-V96 PolarHBondContact O-N 3.24Å; V96-A98 PolarHBondContact O-N 3.31Å; V96-L225 HydrophobicContact CG1-CD2 3.94Å; V96-P228 HydrophobicContact CB-CB 3.89Å; V96-P228 HydrophobicContact CB-CG 3.95Å; V96-P228 HydrophobicContact CG1-CG 4.18Å; V96-P228 HydrophobicContact CG2-CB 3.88Å; V96-P228 HydrophobicContact CG2-CG 4.22Å
97L81.9Confident81.7Confident105 Ų10566.9 Ų66.955%0.5535%0.354SS..EExtended strand (participates in β ladder)trans-79.596.6-178.4-166.266.2000111.7E90E90-L97 HydrophobicContact CB-CD1 3.89Å; E90-L97 HydrophobicContact CB-CG 4.22Å; E90-L97 HydrophobicContact CG-CG 4.4Å
98A78.6Confident82.7Confident26 Ų2663.1 Ų63.122%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-87.9113.7-17900000112.1Y91 I93 V96 V100Y91-A98 PolarHBondContact N-O 3.49Å; Y91-A98 WeakPolarHBondContact O-CB 3.22Å; Y91-A98 PolarHBondContact O-N 2.88Å; I93-A98 HydrophobicContact CD1-CB 3.54Å; I93-A98 HydrophobicContact CG1-CB 4.05Å; V96-A98 PolarHBondContact O-N 3.31Å; A98-V100 PolarHBondContact O-N 3.46Å
99K81.2Confident83.5Confident138 Ų13860 Ų6060%0.631%0.314SS*.EExtended strand (participates in β ladder)trans-76.6108.4171.2-76.7170.4176.1174.40110.9E90E90-K99 HydrophobicContact CG-CG 3.79Å; E90-K99 WeakPolarHBondContact OE1-CE 3.32Å; E90-K99 IonicContact OE1-NZ 2.83Å
100V84.6Confident84.3Confident10 Ų1059.6 Ų59.66%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-84.9150.2169.3-60.70000111.1H88 R89 Y91 A98 Y109 R110 P112H88-V100 VanDerWaalsContact CA-O 3.3Å; H88-V100 WeakPolarHBondContact CA-O 3.4Å; R89-V100 HydrophobicContact CB-CG2 3.76Å; R89-V100 PolarHBondContact N-O 3.15Å; R89-V100 WeakPolarHBondContact O-CG2 3.25Å; R89-V100 PolarHBondContact O-N 3.1Å; Y91-V100 HydrophobicContact CD2-CB 4.43Å; Y91-V100 HydrophobicContact CD2-CG1 3.89Å; Y91-V100 HydrophobicContact CD2-CG2 3.7Å; Y91-V100 HydrophobicContact CE2-CG1 4.28Å; Y91-V100 HydrophobicContact CE2-CG2 3.45Å; Y91-V100 VanDerWaalsContact CE2-CG2 3.45Å; A98-V100 PolarHBondContact O-N 3.46Å; V100-Y109 HydrophobicContact CG2-CD1 4.16Å; V100-R110 VanDerWaalsContact CB-O 3.24Å; V100-R110 WeakPolarHBondContact CB-O 3.48Å; V100-R110 VanDerWaalsContact CG1-O 3.29Å; V100-R110 WeakPolarHBondContact CG1-O 3.37Å; V100-P112 HydrophobicContact CG1-CG 4.35Å
101K86.5Confident84.8Confident120 Ų12055.5 Ų55.552%0.52230%0.295SS..EExtended strand (participates in β ladder)trans-110.6142.5-179.6-63.8-169.1175.6-170.40111.4H88 R110H88-K101 WeakPolarHBondContact NE2-CE 3.37Å; K101-R110 WeakPolarHBondContact O-CG 3.42Å; K101-R110 PolarHBondContact O-N 2.92Å
102W86.7Confident85.4Confident62 Ų6252.6 Ų52.624%0.23529%0.287CS..EExtended strand (participates in β ladder)trans-59150.8166.3-176.8-113.9000111.7E80 V87 L107 F108 Y109E80-W102 HydrophobicContact CB-CH2 3.56Å; E80-W102 HydrophobicContact CB-CZ2 4.49Å; E80-W102 HydrophobicContact CB-CZ3 3.86Å; E80-W102 HydrophobicContact CG-CH2 4Å; E80-W102 HydrophobicContact CG-CZ3 3.96Å; V87-W102 PolarHBondContact O-N 3.09Å; W102-L107 WeakPolarHBondContact CH2-O 3.29Å; W102-L107 HydrophobicContact CZ2-CB 4.27Å; W102-L107 HydrophobicContact CZ2-CD2 4.31Å; W102-F108 VanDerWaalsContact CE3-C 3.45Å; W102-F108 VanDerWaalsContact CZ3-CA 3.42Å; W102-Y109 HydrophobicContact CB-CD1 4.46Å; W102-Y109 HydrophobicContact CB-CE1 4.31Å; W102-Y109 HydrophobicContact CE3-CD1 4.29Å; W102-Y109 AromaticContact CE3-CD2 3.45Å; W102-Y109 HydrophobicContact CE3-CD2 3.45Å; W102-Y109 VanDerWaalsContact CE3-CD2 3.45Å; W102-Y109 HydrophobicContact CE3-CE1 4.37Å; W102-Y109 AromaticContact CE3-CE2 3.51Å; W102-Y109 HydrophobicContact CE3-CE2 3.51Å; W102-Y109 AromaticContact CE3-CG 3.86Å; W102-Y109 HydrophobicContact CE3-CG 3.86Å; W102-Y109 AromaticContact CZ3-CD2 3.62Å; W102-Y109 HydrophobicContact CZ3-CD2 3.62Å; W102-Y109 AromaticContact CZ3-CE2 3.75Å; W102-Y109 HydrophobicContact CZ3-CE2 3.75Å; W102-Y109 HydrophobicContact CZ3-CG 4.39Å
103C89.8Confident85.9Confident0 Ų049.5 Ų49.50%027%0.267CS..EExtended strand (participates in β ladder)trans-116.595.8172.6-164.80000111.1T105 C106 L107 F108 R110 C123C103-T105 PolarHBondContact O-N 3.43Å; C103-T105 VanDerWaalsContact O-N 3.09Å; C103-C106 HydrophobicContact CB-CB 4.37Å; C103-C106 PolarHBondContact O-N 2.94Å; C103-L107 WeakPolarHBondContact O-CA 3.4Å; C103-L107 PolarHBondContact O-N 3.01Å; C103-F108 WeakPolarHBondContact CB-O 3.5Å; C103-F108 PolarHBondContact N-O 2.77Å; C103-R110 HydrophobicContact CB-CG 3.87Å; C103-R110 PolarHBondContact SG-NE 2.92Å; C103-R110 PolarHBondContact SG-NH2 2.97Å; C103-R110 VanDerWaalsContact SG-NH2 3.39Å; C103-C123 PolarHBondContact SG-SG 2.87Å
104S86.5Confident86.5Confident79 Ų7949.3 Ų49.355%0.55227%0.267SS*.THydrogen-bonded Turntrans-55.4-27.2177.854.30000114.4L107 K265S104-L107 WeakPolarHBondContact O-CD2 3.37Å; S104-K265 PolarHBondContact O-NZ 3.09Å
105T87Confident87Confident47 Ų4744.2 Ų44.229%0.28824%0.242SC..THydrogen-bonded Turntrans-75.2-48.4176.1-41.80000112.9C103 H116 N121C103-T105 PolarHBondContact O-N 3.43Å; C103-T105 VanDerWaalsContact O-N 3.09Å; T105-H116 VanDerWaalsContact CB-CE1 3.49Å; T105-H116 WeakPolarHBondContact CB-CE1 3.41Å; T105-H116 VanDerWaalsContact CG2-CE1 3.48Å; T105-H116 WeakPolarHBondContact CG2-CE1 3.43Å; T105-N121 WeakPolarHBondContact CG2-OD1 3.41Å
106C88.6Confident87.7Confident2 Ų242.9 Ų42.91%0.01422%0.218CC..THydrogen-bonded Turntrans-97.6-9.4-173.3-58.30000114.3F71 A72 C103 F108 H116F71-C106 HydrophobicContact CD1-CB 4.36Å; A72-C106 PolarHBondContact N-O 3.4Å; C103-C106 HydrophobicContact CB-CB 4.37Å; C103-C106 PolarHBondContact O-N 2.94Å; C106-F108 HydrophobicContact CB-CD1 3.81Å; C106-F108 HydrophobicContact CB-CE1 3.51Å; C106-F108 WeakPolarHBondContact O-CD1 3.43Å; C106-H116 PolarHBondContact SG-ND1 3.07Å; C106-H116 VanDerWaalsContact SG-ND1 3.4Å
107L87.2Confident88.4Confident27 Ų2742 Ų4214%0.14121%0.213CC..THydrogen-bonded Turntrans63.639174.7-55.9171.3000114.9A72 A77 W102 C103 S104A72-L107 HydrophobicContact CB-CB 4.08Å; A72-L107 WeakPolarHBondContact CB-O 3.37Å; A77-L107 HydrophobicContact CB-CB 3.86Å; A77-L107 HydrophobicContact CB-CD1 3.78Å; A77-L107 HydrophobicContact CB-CG 4.32Å; W102-L107 WeakPolarHBondContact CH2-O 3.29Å; W102-L107 HydrophobicContact CZ2-CB 4.27Å; W102-L107 HydrophobicContact CZ2-CD2 4.31Å; C103-L107 WeakPolarHBondContact O-CA 3.4Å; C103-L107 PolarHBondContact O-N 3.01Å; S104-L107 WeakPolarHBondContact O-CD2 3.37Å
108F85.8Confident88.9Confident26 Ų2641.7 Ų41.711%0.11422%0.22CC..EExtended strand (participates in β ladder)trans-148.3163.2169.369.7-86.6000112.2F69 A72 W102 C103 C106 R110 C123F69-F108 HydrophobicContact CB-CE1 3.96Å; F69-F108 HydrophobicContact CB-CE2 4.41Å; F69-F108 HydrophobicContact CB-CZ 3.47Å; F69-F108 VanDerWaalsContact CB-CZ 3.47Å; F69-F108 HydrophobicContact CD1-CE2 4.25Å; F69-F108 HydrophobicContact CD1-CZ 4.1Å; F69-F108 HydrophobicContact CD2-CZ 4.2Å; F69-F108 HydrophobicContact CG-CE2 4.18Å; F69-F108 AromaticContact CG-CZ 3.67Å; F69-F108 HydrophobicContact CG-CZ 3.67Å; A72-F108 HydrophobicContact CB-CB 4.48Å; W102-F108 VanDerWaalsContact CE3-C 3.45Å; W102-F108 VanDerWaalsContact CZ3-CA 3.42Å; C103-F108 WeakPolarHBondContact CB-O 3.5Å; C103-F108 PolarHBondContact N-O 2.77Å; C106-F108 HydrophobicContact CB-CD1 3.81Å; C106-F108 HydrophobicContact CB-CE1 3.51Å; C106-F108 WeakPolarHBondContact O-CD1 3.43Å; F108-R110 PolarHBondContact O-N 3.13Å; F108-C123 HydrophobicContact CE1-CB 4.18Å; F108-C123 HydrophobicContact CZ-CB 3.63Å
109Y87.2Confident89.5Confident18 Ų1844.7 Ų44.77%0.07123%0.231CC..EExtended strand (participates in β ladder)trans-71.7121.6171.4-76.6-86.8000111.3A85 P86 R89 V100 W102 P111A85-Y109 HydrophobicContact CB-CE2 4.12Å; A85-Y109 VanDerWaalsContact CB-OH 3.24Å; A85-Y109 WeakPolarHBondContact CB-OH 3.47Å; P86-Y109 VanDerWaalsContact O-CE1 3.31Å; P86-Y109 WeakPolarHBondContact O-CE1 3.27Å; P86-Y109 PolarHBondContact O-OH 3.25Å; R89-Y109 HydrophobicContact CB-CD1 4.28Å; R89-Y109 HydrophobicContact CB-CE1 4.19Å; R89-Y109 HydrophobicContact CG-CD1 4.11Å; R89-Y109 HydrophobicContact CG-CE1 3.65Å; R89-Y109 HydrophobicContact CG-CE2 4.46Å; R89-Y109 PolarHBondContact NE-OH 3.14Å; R89-Y109 VanDerWaalsContact NH1-CD2 3.3Å; V100-Y109 HydrophobicContact CG2-CD1 4.16Å; W102-Y109 HydrophobicContact CB-CD1 4.46Å; W102-Y109 HydrophobicContact CB-CE1 4.31Å; W102-Y109 HydrophobicContact CE3-CD1 4.29Å; W102-Y109 AromaticContact CE3-CD2 3.45Å; W102-Y109 HydrophobicContact CE3-CD2 3.45Å; W102-Y109 VanDerWaalsContact CE3-CD2 3.45Å; W102-Y109 HydrophobicContact CE3-CE1 4.37Å; W102-Y109 AromaticContact CE3-CE2 3.51Å; W102-Y109 HydrophobicContact CE3-CE2 3.51Å; W102-Y109 AromaticContact CE3-CG 3.86Å; W102-Y109 HydrophobicContact CE3-CG 3.86Å; W102-Y109 AromaticContact CZ3-CD2 3.62Å; W102-Y109 HydrophobicContact CZ3-CD2 3.62Å; W102-Y109 AromaticContact CZ3-CE2 3.75Å; W102-Y109 HydrophobicContact CZ3-CE2 3.75Å; W102-Y109 HydrophobicContact CZ3-CG 4.39Å; Y109-P111 VanDerWaalsContact O-CD 3.29Å; Y109-P111 WeakPolarHBondContact O-CD 3.46Å
110R91.2Very high90Very high61 Ų6138.4 Ų38.423%0.2320%0.204CC..PPolyproline II helixtrans-65.1120.7-178.4-59.6175.7-175.7163.74.4109.9V100 K101 C103 F108 C114V100-R110 VanDerWaalsContact CB-O 3.24Å; V100-R110 WeakPolarHBondContact CB-O 3.48Å; V100-R110 VanDerWaalsContact CG1-O 3.29Å; V100-R110 WeakPolarHBondContact CG1-O 3.37Å; K101-R110 WeakPolarHBondContact O-CG 3.42Å; K101-R110 PolarHBondContact O-N 2.92Å; C103-R110 HydrophobicContact CB-CG 3.87Å; C103-R110 PolarHBondContact SG-NE 2.92Å; C103-R110 PolarHBondContact SG-NH2 2.97Å; C103-R110 VanDerWaalsContact SG-NH2 3.39Å; F108-R110 PolarHBondContact O-N 3.13Å; R110-C114 HydrophobicContact CB-CB 4.26Å
111P90.7Very high90.4Very high19 Ų1941.7 Ų41.712%0.12322%0.221CC..PPolyproline II helixtrans-57.1163.9175.3-27.635.7000112.8F69 Y109 R113 C114 P394F69-P111 HydrophobicContact CE1-CG 4.26Å; F69-P111 HydrophobicContact CE2-CG 4.5Å; F69-P111 HydrophobicContact CZ-CG 3.86Å; Y109-P111 VanDerWaalsContact O-CD 3.29Å; Y109-P111 WeakPolarHBondContact O-CD 3.46Å; P111-R113 PolarHBondContact O-N 3.39Å; P111-C114 HydrophobicContact CB-CB 4.3Å; P111-C114 WeakPolarHBondContact O-CB 3.42Å; P111-C114 PolarHBondContact O-N 2.87Å; P111-P394 HydrophobicContact CG-CG 3.45Å; P111-P394 VanDerWaalsContact CG-CG 3.45Å
112P89.8Confident90.7Very high28 Ų2838.2 Ų38.218%0.18221%0.205CC..THydrogen-bonded Turntrans-49.1139.3171.2-26.835.7000112I93 V100 C114 F229I93-P112 HydrophobicContact CD1-CB 3.48Å; I93-P112 VanDerWaalsContact CD1-CB 3.48Å; I93-P112 HydrophobicContact CD1-CG 3.48Å; I93-P112 VanDerWaalsContact CD1-CG 3.48Å; V100-P112 HydrophobicContact CG1-CG 4.35Å; P112-C114 PolarHBondContact O-N 2.94Å; P112-F229 HydrophobicContact CB-CZ 4.08Å
113R93.1Very high91.1Very high43 Ų4335.2 Ų35.216%0.16219%0.194CC..THydrogen-bonded Turntrans62.5-8.2-174-40.2-173.180166.210116.4P111 T126 F127 G211 E216 F229P111-R113 PolarHBondContact O-N 3.39Å; R113-T126 HydrophobicContact CB-CG2 4.2Å; R113-T126 WeakPolarHBondContact O-CA 3.47Å; R113-F127 PolarHBondContact O-N 3.21Å; R113-G211 PolarHBondContact NH2-O 3.04Å; R113-E216 WeakPolarHBondContact CB-OE1 3.47Å; R113-E216 WeakPolarHBondContact CG-OE1 3.35Å; R113-E216 IonicContact CZ-OE1 3.38Å; R113-E216 IonicContact CZ-OE2 3.56Å; R113-E216 IonicContact NE-OE1 3.48Å; R113-E216 PolarHBondContact NE-OE1 2.98Å; R113-E216 IonicContact NE-OE2 2.8Å; R113-E216 PolarHBondContact NE-OE2 2.95Å; R113-E216 IonicContact NH2-OE1 2.69Å; R113-E216 IonicContact NH2-OE2 3.55Å; R113-E216 PolarHBondContact NH2-OE2 3.35Å; R113-F229 HydrophobicContact CG-CD2 4.08Å; R113-F229 HydrophobicContact CG-CE1 4.03Å; R113-F229 HydrophobicContact CG-CE2 3.56Å; R113-F229 HydrophobicContact CG-CZ 3.54Å
114C94.1Very high91.3Very high9 Ų935.2 Ų35.26%0.06119%0.194CC..  trans-70.8147.5172.5-175.80000110.9F69 R110 P111 P112 V124F69-C114 HydrophobicContact CE2-CB 4.3Å; R110-C114 HydrophobicContact CB-CB 4.26Å; P111-C114 HydrophobicContact CB-CB 4.3Å; P111-C114 WeakPolarHBondContact O-CB 3.42Å; P111-C114 PolarHBondContact O-N 2.87Å; P112-C114 PolarHBondContact O-N 2.94Å; C114-V124 WeakPolarHBondContact CA-O 3.24Å; C114-V124 PolarHBondContact SG-O 3.08Å
115S94.6Very high91.8Very high21 Ų2132.5 Ų32.515%0.14717%0.173CC..EExtended strand (participates in β ladder)trans-147.7157169.2-62.10000110.9C123 V124 N215S115-C123 WeakPolarHBondContact O-CA 3.26Å; S115-V124 PolarHBondContact N-O 2.73Å; S115-V124 PolarHBondContact O-N 2.98Å; S115-N215 PolarHBondContact OG-ND2 2.92Å
116H94.9Very high92.1Very high35 Ų3531.7 Ų31.716%0.16217%0.168CC..EExtended strand (participates in β ladder)trans-92.2120.1177.6-17687.7000109.8T105 C106 R122T105-H116 VanDerWaalsContact CB-CE1 3.49Å; T105-H116 WeakPolarHBondContact CB-CE1 3.41Å; T105-H116 VanDerWaalsContact CG2-CE1 3.48Å; T105-H116 WeakPolarHBondContact CG2-CE1 3.43Å; C106-H116 PolarHBondContact SG-ND1 3.07Å; C106-H116 VanDerWaalsContact SG-ND1 3.4Å; H116-R122 PolarHBondContact CE1-N 2.76Å
117C95.9Very high92.5Very high6 Ų632.8 Ų32.84%0.04117%0.173CC..EExtended strand (participates in β ladder)trans-87.1120.2169.8177.80000108.8C120 N121 R122 F127 C137C117-C120 HydrophobicContact CB-CB 4.23Å; C117-C120 PolarHBondContact SG-N 2.99Å; C117-N121 WeakPolarHBondContact O-CA 3.27Å; C117-N121 PolarHBondContact O-N 3.17Å; C117-R122 PolarHBondContact N-O 2.9Å; C117-R122 PolarHBondContact O-N 3.22Å; C117-F127 HydrophobicContact CB-CE2 4.06Å; C117-F127 HydrophobicContact CB-CZ 4.38Å; C117-C137 VanDerWaalsContact CB-SG 3.58Å
118S92.7Very high93Very high99 Ų9932.2 Ų32.269%0.69217%0.17SC*.THydrogen-bonded Turntrans-62.6-45.3176.246.40000112.1C120 N121S118-C120 PolarHBondContact O-N 3.26Å; S118-N121 WeakPolarHBondContact O-CA 3.26Å; S118-N121 PolarHBondContact O-N 2.82Å
119I91.3Very high93.5Very high89 Ų8932.8 Ų32.846%0.45617%0.173SC..THydrogen-bonded Turntrans-58.3-47.6-179.9-55.6168.3000111N121 H130I119-N121 VanDerWaalsContact C-N 3.29Å; I119-N121 PolarHBondContact O-N 2.88Å; I119-H130 HydrophobicContact CD1-CB 4.29Å
120C91.5Very high94Very high5 Ų533.5 Ų33.53%0.03418%0.176CC..THydrogen-bonded Turntrans-84.3-3177-60.50000114C3 Y68 C117 S118 R122 H130 C137C3-C120 PolarHBondContact SG-SG 3.3Å; Y68-C120 HydrophobicContact CE1-CB 3.91Å; Y68-C120 PolarHBondContact OH-SG 3.06Å; Y68-C120 VanDerWaalsContact OH-SG 3.41Å; C117-C120 HydrophobicContact CB-CB 4.23Å; C117-C120 PolarHBondContact SG-N 2.99Å; S118-C120 PolarHBondContact O-N 3.26Å; C120-R122 PolarHBondContact O-N 3.47Å; C120-R122 PolarHBondContact O-NE 3.17Å; C120-H130 PolarHBondContact SG-CE1 3.29Å; C120-H130 PolarHBondContact SG-ND1 3.49Å; C120-C137 PolarHBondContact SG-SG 2.87Å
121N92.5Very high94.3Very high79 Ų7931 Ų3142%0.42217%0.168SC..THydrogen-bonded Turntrans46.837.4-176.4-166.829000114.3T105 C117 S118 I119T105-N121 WeakPolarHBondContact CG2-OD1 3.41Å; C117-N121 WeakPolarHBondContact O-CA 3.27Å; C117-N121 PolarHBondContact O-N 3.17Å; S118-N121 WeakPolarHBondContact O-CA 3.26Å; S118-N121 PolarHBondContact O-N 2.82Å; I119-N121 VanDerWaalsContact C-N 3.29Å; I119-N121 PolarHBondContact O-N 2.88Å
122R92.9Very high94.5Very high47 Ų4732.7 Ų32.718%0.17718%0.179CC..EExtended strand (participates in β ladder)trans-147.4150-172.5-79.1179.5-108.3-114.6-0.6112.7Y68 F71 H116 C117 C120Y68-R122 HydrophobicContact CD1-CB 3.53Å; Y68-R122 HydrophobicContact CD1-CG 4.28Å; Y68-R122 HydrophobicContact CE1-CB 3.98Å; Y68-R122 HydrophobicContact CG-CB 4.36Å; F71-R122 HydrophobicContact CE2-CG 4.4Å; F71-R122 HydrophobicContact CZ-CG 4.27Å; H116-R122 PolarHBondContact CE1-N 2.76Å; C117-R122 PolarHBondContact N-O 2.9Å; C117-R122 PolarHBondContact O-N 3.22Å; C120-R122 PolarHBondContact O-N 3.47Å; C120-R122 PolarHBondContact O-NE 3.17Å
123C95.3Very high94.8Very high0 Ų038.1 Ų38.10%020%0.196CC..EExtended strand (participates in β ladder)trans-72.5131.2165.2-74.90000110.7Y68 F69 C103 F108 S115Y68-C123 WeakPolarHBondContact CA-O 3.35Å; F69-C123 HydrophobicContact CB-CB 4.16Å; F69-C123 HydrophobicContact CD2-CB 4.21Å; F69-C123 PolarHBondContact N-O 3.49Å; C103-C123 PolarHBondContact SG-SG 2.87Å; F108-C123 HydrophobicContact CE1-CB 4.18Å; F108-C123 HydrophobicContact CZ-CB 3.63Å; S115-C123 WeakPolarHBondContact O-CA 3.26Å
124V95.6Very high94.9Very high0 Ų036.2 Ų36.20%019%0.189CC..EExtended strand (participates in β ladder)trans-113.9133.3178.7-179.20000109.3P66 Y68 C114 S115 F127 C137P66-V124 HydrophobicContact CB-CG1 4.31Å; P66-V124 HydrophobicContact CG-CG1 4.44Å; Y68-V124 HydrophobicContact CD1-CG2 3.72Å; Y68-V124 HydrophobicContact CE1-CG2 3.57Å; C114-V124 WeakPolarHBondContact CA-O 3.24Å; C114-V124 PolarHBondContact SG-O 3.08Å; S115-V124 PolarHBondContact N-O 2.73Å; S115-V124 PolarHBondContact O-N 2.98Å; V124-F127 HydrophobicContact CB-CB 4.11Å; V124-F127 HydrophobicContact CB-CD2 3.77Å; V124-F127 HydrophobicContact CB-CG 4.37Å; V124-F127 HydrophobicContact CG1-CB 4.33Å; V124-F127 HydrophobicContact CG1-CD2 4.01Å; V124-F127 HydrophobicContact CG2-CD2 4.12Å; V124-C137 HydrophobicContact CG1-CB 4.36Å; V124-C137 HydrophobicContact CG2-CB 3.94Å
125D95.2Very high95Very high21 Ų2136.6 Ų36.611%0.11219%0.191CC..THydrogen-bonded Turntrans-73.5136.5176-159.2-2.9000112G67 F69 F127 K140 R249G67-D125 WeakPolarHBondContact O-CB 3.19Å; G67-D125 PolarHBondContact O-N 3.29Å; F69-D125 HydrophobicContact CD2-CB 4.38Å; F69-D125 HydrophobicContact CE2-CB 3.64Å; F69-D125 HydrophobicContact CZ-CB 4.22Å; D125-F127 VanDerWaalsContact C-N 3.34Å; D125-F127 PolarHBondContact O-N 2.98Å; D125-K140 HydrophobicContact CB-CB 4.18Å; D125-K140 WeakPolarHBondContact O-CB 3.34Å; D125-K140 PolarHBondContact O-N 2.89Å; D125-R249 IonicContact OD2-CZ 3.39Å; D125-R249 VanDerWaalsContact OD2-CZ 3.23Å; D125-R249 IonicContact OD2-NH1 3.43Å; D125-R249 PolarHBondContact OD2-NH1 3.3Å; D125-R249 IonicContact OD2-NH2 2.68Å; D125-R249 PolarHBondContact OD2-NH2 2.86Å
126T94.9Very high95.1Very high30 Ų3036.2 Ų36.218%0.18419%0.187CC..THydrogen-bonded Turntrans35.563-166.6-48.30000111.8R113 D128 G139 T213R113-T126 HydrophobicContact CB-CG2 4.2Å; R113-T126 WeakPolarHBondContact O-CA 3.47Å; T126-D128 PolarHBondContact O-N 2.88Å; T126-G139 WeakPolarHBondContact O-CA 3.4Å; T126-T213 HydrophobicContact CG2-CG2 3.67Å
127F96.8Very high95.2Very high26 Ų2634.5 Ų34.511%0.11418%0.179CC..  trans-68.9123.6-173.5176.7-107000111R113 C117 V124 D125 H129 C137 N215R113-F127 PolarHBondContact O-N 3.21Å; C117-F127 HydrophobicContact CB-CE2 4.06Å; C117-F127 HydrophobicContact CB-CZ 4.38Å; V124-F127 HydrophobicContact CB-CB 4.11Å; V124-F127 HydrophobicContact CB-CD2 3.77Å; V124-F127 HydrophobicContact CB-CG 4.37Å; V124-F127 HydrophobicContact CG1-CB 4.33Å; V124-F127 HydrophobicContact CG1-CD2 4.01Å; V124-F127 HydrophobicContact CG2-CD2 4.12Å; D125-F127 VanDerWaalsContact C-N 3.34Å; D125-F127 PolarHBondContact O-N 2.98Å; F127-H129 VanDerWaalsContact CE2-C 3.4Å; F127-H129 WeakPolarHBondContact CE2-O 3.31Å; F127-C137 HydrophobicContact CD2-CB 4.49Å; F127-C137 HydrophobicContact CE2-CB 4.2Å; F127-N215 HydrophobicContact CD1-CB 4.15Å; F127-N215 VanDerWaalsContact O-CB 3.25Å; F127-N215 WeakPolarHBondContact O-CB 3.5Å; F127-N215 PolarHBondContact O-ND2 3.41Å
128D97.3Very high95.3Very high15 Ų1534.3 Ų34.38%0.0818%0.178CC..  trans-97-61.2178.8-165.385000111.7T126 I138 H204 T213 T214 N215T126-D128 PolarHBondContact O-N 2.88Å; D128-I138 HydrophobicContact CB-CB 4.25Å; D128-I138 HydrophobicContact CB-CG2 4.05Å; D128-I138 PolarHBondContact N-O 3.5Å; D128-H204 IonicContact OD2-CE1 3.55Å; D128-T213 WeakPolarHBondContact OD1-CA 3.41Å; D128-T213 VanDerWaalsContact OD1-CB 3.23Å; D128-T213 WeakPolarHBondContact OD1-CB 3.47Å; D128-T214 PolarHBondContact OD1-N 2.99Å; D128-T214 PolarHBondContact OD1-OG1 3.11Å; D128-T214 WeakPolarHBondContact OD2-CB 3.4Å; D128-T214 PolarHBondContact OD2-OG1 3.37Å; D128-N215 VanDerWaalsContact O-CB 3.26Å; D128-N215 WeakPolarHBondContact O-CB 3.49Å; D128-N215 PolarHBondContact O-N 3.46Å
129H96.9Very high95.5Very high38 Ų3829.6 Ų29.618%0.17615%0.145CC..EExtended strand (participates in β ladder)trans-161.6173.3171.861.7-81.2000110.9F127 C131 I138 F146F127-H129 VanDerWaalsContact CE2-C 3.4Å; F127-H129 WeakPolarHBondContact CE2-O 3.31Å; H129-C131 WeakPolarHBondContact NE2-CB 3.39Å; H129-I138 PolarHBondContact O-N 3.19Å; H129-F146 AromaticContact CE1-CE1 3.69Å; H129-F146 AromaticContact CE1-CZ 3.68Å; H129-F146 AromaticContact NE2-CZ 3.81Å
130H96.7Very high95.7Very high32 Ų3228.5 Ų28.515%0.14814%0.137CC..EExtended strand (participates in β ladder)trans-98.2131.9160.3-177.594.3000108.4I119 C120I119-H130 HydrophobicContact CD1-CB 4.29Å; C120-H130 PolarHBondContact SG-CE1 3.29Å; C120-H130 PolarHBondContact SG-ND1 3.49Å
131C97.1Very high95.8Very high8 Ų829.9 Ų29.95%0.05414%0.142CC..EExtended strand (participates in β ladder)trans-115.5104.1-172.6-173.60000110.5H129 W133 V134 N135 N136 I138H129-C131 WeakPolarHBondContact NE2-CB 3.39Å; C131-W133 VanDerWaalsContact C-N 3.25Å; C131-W133 PolarHBondContact O-N 2.97Å; C131-V134 HydrophobicContact CB-CG2 3.71Å; C131-V134 PolarHBondContact O-N 2.97Å; C131-V134 VanDerWaalsContact O-N 3.17Å; C131-N135 PolarHBondContact O-N 2.96Å; C131-N136 PolarHBondContact N-O 3.01Å; C131-I138 HydrophobicContact CB-CD1 4.28Å; C131-I138 HydrophobicContact CB-CG1 3.99Å
132P95.6Very high96Very high56 Ų5626.1 Ų26.136%0.36412%0.121SC..G310 helixtrans-59.2-36.1-179.6-24.934.9000112.8P12 A13 V134 N135P12-P132 HydrophobicContact CB-CB 3.83Å; P12-P132 HydrophobicContact CG-CB 3.95Å; A13-P132 WeakPolarHBondContact CB-O 3.48Å; A13-P132 PolarHBondContact N-O 3.39Å; P132-V134 PolarHBondContact O-N 3.48Å; P132-N135 PolarHBondContact O-N 3.41Å
133W96.1Very high96.2Very high141 Ų14124.6 Ų24.653%0.53412%0.119SC..G310 helixtrans-62.2-13.5179.3-52.2113.5000114.6P12 A13 A16 C131P12-W133 HydrophobicContact CB-CD2 4.37Å; P12-W133 HydrophobicContact CB-CE3 3.85Å; P12-W133 HydrophobicContact CB-CZ3 4.1Å; A13-W133 WeakPolarHBondContact CA-O 3.19Å; A16-W133 HydrophobicContact CB-CB 4.25Å; A16-W133 HydrophobicContact CB-CE3 4.13Å; C131-W133 VanDerWaalsContact C-N 3.25Å; C131-W133 PolarHBondContact O-N 2.97Å
134V95.9Very high96.3Very high3 Ų327.7 Ų27.72%0.01813%0.131CC..G310 helixtrans-127.26.6171.8-57.50000113.1L58 T61 C131 P132 N136 I138L58-V134 HydrophobicContact CD1-CG1 3.91Å; T61-V134 HydrophobicContact CG2-CB 4.3Å; T61-V134 HydrophobicContact CG2-CG1 4.11Å; T61-V134 HydrophobicContact CG2-CG2 4.07Å; C131-V134 HydrophobicContact CB-CG2 3.71Å; C131-V134 PolarHBondContact O-N 2.97Å; C131-V134 VanDerWaalsContact O-N 3.17Å; P132-V134 PolarHBondContact O-N 3.48Å; V134-N136 HydrophobicContact CG2-CB 4.3Å; V134-N136 PolarHBondContact O-N 3.49Å; V134-I138 HydrophobicContact CG2-CD1 4.16Å
135N95Very high96.3Very high18 Ų1829.2 Ų29.210%0.09614%0.137CC..THydrogen-bonded Turntrans45.244.9-178.7-171.57.4000113.7A13 C131 P132A13-N135 HydrophobicContact CB-CB 3.82Å; C131-N135 PolarHBondContact O-N 2.96Å; P132-N135 PolarHBondContact O-N 3.41Å
136N96Very high96.5Very high12 Ų1228.6 Ų28.66%0.06413%0.133CC..EExtended strand (participates in β ladder)trans-153.8160.3-178.2-1627.4000111T61 T62 M64 Y68 C131 V134 N142T61-N136 PolarHBondContact O-ND2 3.18Å; T62-N136 PolarHBondContact O-ND2 2.76Å; M64-N136 PolarHBondContact O-ND2 2.92Å; Y68-N136 PolarHBondContact OH-OD1 3.08Å; C131-N136 PolarHBondContact N-O 3.01Å; V134-N136 HydrophobicContact CG2-CB 4.3Å; V134-N136 PolarHBondContact O-N 3.49Å; N136-N142 PolarHBondContact ND2-ND2 3.3Å
137C97.7Very high96.6Very high0 Ų027.3 Ų27.30%013%0.125CC..EExtended strand (participates in β ladder)trans-73.9148.6164.2-65.80000110.5P66 C117 C120 V124 F127 N142P66-C137 HydrophobicContact CB-CB 4.26Å; P66-C137 WeakPolarHBondContact CB-O 3.49Å; P66-C137 HydrophobicContact CG-CB 3.99Å; C117-C137 VanDerWaalsContact CB-SG 3.58Å; C120-C137 PolarHBondContact SG-SG 2.87Å; V124-C137 HydrophobicContact CG1-CB 4.36Å; V124-C137 HydrophobicContact CG2-CB 3.94Å; F127-C137 HydrophobicContact CD2-CB 4.49Å; F127-C137 HydrophobicContact CE2-CB 4.2Å; C137-N142 PolarHBondContact O-ND2 3.47Å
138I98Very high96.6Very high1 Ų128.8 Ų28.81%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-97.4122163.3-52.7-50.8000107.4T61 D128 H129 C131 V134 A143 F146T61-I138 HydrophobicContact CG2-CD1 3.91Å; D128-I138 HydrophobicContact CB-CB 4.25Å; D128-I138 HydrophobicContact CB-CG2 4.05Å; D128-I138 PolarHBondContact N-O 3.5Å; H129-I138 PolarHBondContact O-N 3.19Å; C131-I138 HydrophobicContact CB-CD1 4.28Å; C131-I138 HydrophobicContact CB-CG1 3.99Å; V134-I138 HydrophobicContact CG2-CD1 4.16Å; I138-A143 HydrophobicContact CG2-CB 3.94Å; I138-F146 HydrophobicContact CD1-CB 3.98Å; I138-F146 HydrophobicContact CD1-CD2 3.77Å; I138-F146 HydrophobicContact CD1-CE2 4.39Å; I138-F146 HydrophobicContact CD1-CG 3.85Å; I138-F146 HydrophobicContact CG1-CD1 4.36Å; I138-F146 HydrophobicContact CG1-CD2 4.19Å; I138-F146 HydrophobicContact CG1-CE2 4.44Å; I138-F146 HydrophobicContact CG1-CG 4.14Å; I138-F146 HydrophobicContact CG2-CB 4.27Å; I138-F146 HydrophobicContact CG2-CD1 4.02Å; I138-F146 HydrophobicContact CG2-CG 4.23Å
139G96.5Very high96.7Very high1 Ų128.8 Ų28.81%0.0113%0.132CC..  trans-155-174.5-176.500000112.5P66 T126 R141 N142 A143P66-G139 CarbonylContact O-C 3.58Å; P66-G139 VanDerWaalsContact O-C 3.23Å; T126-G139 WeakPolarHBondContact O-CA 3.4Å; G139-R141 PolarHBondContact O-N 2.73Å; G139-N142 PolarHBondContact N-OD1 2.99Å; G139-N142 PolarHBondContact O-N 3.5Å; G139-N142 VanDerWaalsContact O-N 3.09Å; G139-N142 PolarHBondContact O-OD1 3.1Å; G139-N142 VanDerWaalsContact O-OD1 3.13Å; G139-A143 WeakPolarHBondContact O-CB 3.48Å; G139-A143 PolarHBondContact O-N 3.01Å
140K95.5Very high96.8Very high66 Ų6627.2 Ų27.229%0.28713%0.125SC..THydrogen-bonded Turntrans-46-37.2-168-169.1169.2-174.51750115P66 D125 E243 F246P66-K140 PolarHBondContact O-N 2.85Å; D125-K140 HydrophobicContact CB-CB 4.18Å; D125-K140 WeakPolarHBondContact O-CB 3.34Å; D125-K140 PolarHBondContact O-N 2.89Å; K140-E243 WeakPolarHBondContact CE-OE1 3.49Å; K140-E243 IonicContact NZ-OE1 2.66Å; K140-E243 PolarHBondContact NZ-OE1 3.35Å; K140-F246 HydrophobicContact CD-CD2 4.42Å; K140-F246 VanDerWaalsContact CE-CE2 3.5Å
141R95Very high96.8Very high33 Ų3328.7 Ų28.713%0.12513%0.133CC..THydrogen-bonded Turntrans-85.3-32-174.5-63.9175.551.98010.7114.4M64 D65 P66 G139 F246 P247M64-R141 HydrophobicContact CE-CB 4.03Å; M64-R141 VanDerWaalsContact CE-O 3.27Å; M64-R141 WeakPolarHBondContact CE-O 3.27Å; D65-R141 WeakPolarHBondContact O-CB 3.1Å; D65-R141 VanDerWaalsContact O-CD 3.24Å; D65-R141 WeakPolarHBondContact O-CD 3.45Å; D65-R141 PolarHBondContact O-NE 2.91Å; P66-R141 WeakPolarHBondContact O-CB 3.33Å; P66-R141 PolarHBondContact O-N 3.32Å; G139-R141 PolarHBondContact O-N 2.73Å; R141-F246 PolarHBondContact NH1-O 2.93Å; R141-P247 PolarHBondContact NH1-O 2.81Å; R141-P247 VanDerWaalsContact NH1-O 3.07Å
142N96.4Very high96.9Very high0 Ų028.5 Ų28.50%013%0.132CC..THydrogen-bonded Turntrans-113.2-12.5-173.271.1-21.6000114.6T61 M64 P66 N136 C137 G139 R144 Y145 F146T61-N142 PolarHBondContact O-ND2 3.3Å; M64-N142 HydrophobicContact CB-CB 4.35Å; M64-N142 HydrophobicContact CG-CB 4.47Å; M64-N142 HydrophobicContact SD-CB 4.3Å; P66-N142 WeakPolarHBondContact CB-OD1 3.41Å; N136-N142 PolarHBondContact ND2-ND2 3.3Å; C137-N142 PolarHBondContact O-ND2 3.47Å; G139-N142 PolarHBondContact N-OD1 2.99Å; G139-N142 PolarHBondContact O-N 3.5Å; G139-N142 VanDerWaalsContact O-N 3.09Å; G139-N142 PolarHBondContact O-OD1 3.1Å; G139-N142 VanDerWaalsContact O-OD1 3.13Å; N142-R144 PolarHBondContact O-N 3.23Å; N142-R144 VanDerWaalsContact O-N 3.14Å; N142-Y145 PolarHBondContact O-N 3.35Å; N142-F146 PolarHBondContact O-N 3.26Å
143A96.8Very high97Very high16 Ų1626.4 Ų26.413%0.13212%0.118CC..Hα-helixtrans-51.5-38.5178.700000113.7I138 G139 Y145 F146 F147 F240I138-A143 HydrophobicContact CG2-CB 3.94Å; G139-A143 WeakPolarHBondContact O-CB 3.48Å; G139-A143 PolarHBondContact O-N 3.01Å; A143-Y145 VanDerWaalsContact C-N 3.34Å; A143-Y145 PolarHBondContact O-N 2.93Å; A143-F146 PolarHBondContact O-N 2.79Å; A143-F147 PolarHBondContact O-N 2.97Å; A143-F240 HydrophobicContact CB-CE2 4.15Å; A143-F240 HydrophobicContact CB-CZ 4.39Å
144R96.4Very high97.1Very high65 Ų6520.2 Ų20.225%0.24510%0.095CC..Hα-helixtrans-63.6-34.4175.370.8-177.9-173.6171.52.4113.7N142 M148 F240N142-R144 PolarHBondContact O-N 3.23Å; N142-R144 VanDerWaalsContact O-N 3.14Å; R144-M148 WeakPolarHBondContact O-CB 3.25Å; R144-M148 WeakPolarHBondContact O-CG 3.42Å; R144-M148 PolarHBondContact O-N 3.46Å; R144-M148 VanDerWaalsContact O-N 3.07Å; R144-F240 HydrophobicContact CB-CE1 4.45Å
145Y97.2Very high97.3Very high32 Ų3224.5 Ų24.513%0.12512%0.118CC..Hα-helixtrans-77.8-35177.2-61.8-61.1000111.9R60 T61 M64 N142 A143 M148 F149R60-Y145 HydrophobicContact CB-CD1 4.32Å; R60-Y145 HydrophobicContact CB-CD2 4.3Å; R60-Y145 HydrophobicContact CB-CG 3.98Å; R60-Y145 VanDerWaalsContact CZ-CZ 3.43Å; R60-Y145 PolarHBondContact NH2-OH 2.87Å; T61-Y145 PolarHBondContact OG1-O 3.21Å; M64-Y145 HydrophobicContact CE-CE2 4.06Å; M64-Y145 HydrophobicContact SD-CD2 3.61Å; M64-Y145 HydrophobicContact SD-CE2 3.55Å; M64-Y145 VanDerWaalsContact SD-CE2 3.55Å; N142-Y145 PolarHBondContact O-N 3.35Å; A143-Y145 VanDerWaalsContact C-N 3.34Å; A143-Y145 PolarHBondContact O-N 2.93Å; Y145-M148 PolarHBondContact O-N 3.21Å; Y145-F149 VanDerWaalsContact O-CB 3.27Å; Y145-F149 WeakPolarHBondContact O-CB 3.28Å; Y145-F149 PolarHBondContact O-N 3.45Å
146F98Very high97.4Very high7 Ų724 Ų243%0.03112%0.115CC..Hα-helixtrans-61.3-45.5171.6174-105.6000111.1T61 H129 I138 N142 A143 F149 L150 L200 H204T61-F146 HydrophobicContact CG2-CB 3.8Å; T61-F146 HydrophobicContact CG2-CD2 3.97Å; T61-F146 HydrophobicContact CG2-CG 4.37Å; T61-F146 WeakPolarHBondContact OG1-CA 3.32Å; T61-F146 PolarHBondContact OG1-N 3.42Å; T61-F146 VanDerWaalsContact OG1-N 3.11Å; H129-F146 AromaticContact CE1-CE1 3.69Å; H129-F146 AromaticContact CE1-CZ 3.68Å; H129-F146 AromaticContact NE2-CZ 3.81Å; I138-F146 HydrophobicContact CD1-CB 3.98Å; I138-F146 HydrophobicContact CD1-CD2 3.77Å; I138-F146 HydrophobicContact CD1-CE2 4.39Å; I138-F146 HydrophobicContact CD1-CG 3.85Å; I138-F146 HydrophobicContact CG1-CD1 4.36Å; I138-F146 HydrophobicContact CG1-CD2 4.19Å; I138-F146 HydrophobicContact CG1-CE2 4.44Å; I138-F146 HydrophobicContact CG1-CG 4.14Å; I138-F146 HydrophobicContact CG2-CB 4.27Å; I138-F146 HydrophobicContact CG2-CD1 4.02Å; I138-F146 HydrophobicContact CG2-CG 4.23Å; N142-F146 PolarHBondContact O-N 3.26Å; A143-F146 PolarHBondContact O-N 2.79Å; F146-F149 WeakPolarHBondContact O-CB 3.17Å; F146-F149 PolarHBondContact O-N 3.29Å; F146-L150 HydrophobicContact CD1-CD1 4.19Å; F146-L150 HydrophobicContact CE1-CD1 3.64Å; F146-L150 HydrophobicContact CE1-CG 4.36Å; F146-L150 HydrophobicContact CZ-CD1 3.86Å; F146-L150 HydrophobicContact CZ-CD2 4.45Å; F146-L150 HydrophobicContact CZ-CG 4.29Å; F146-L150 WeakPolarHBondContact O-CG 3.44Å; F146-L150 PolarHBondContact O-N 2.94Å; F146-L200 HydrophobicContact CZ-CD2 4.36Å; F146-H204 AromaticContact CE1-CD2 3.88Å; F146-H204 AromaticContact CE1-CE1 3.91Å; F146-H204 AromaticContact CE1-NE2 3.51Å
147F97.8Very high97.5Very high4 Ų424.3 Ų24.32%0.01812%0.116CC..Hα-helixtrans-66.7-41.7177.2-177-103.3000113.4A143 F149 L150 I151 H204 V205 I208 W237 F240A143-F147 PolarHBondContact O-N 2.97Å; F147-F149 VanDerWaalsContact C-N 3.28Å; F147-F149 PolarHBondContact O-N 2.84Å; F147-L150 PolarHBondContact O-N 2.72Å; F147-I151 HydrophobicContact CD1-CD1 4.24Å; F147-I151 HydrophobicContact CE1-CD1 3.33Å; F147-I151 HydrophobicContact CE1-CG1 4.03Å; F147-I151 HydrophobicContact CE2-CD1 4.43Å; F147-I151 HydrophobicContact CE2-CG1 4.44Å; F147-I151 HydrophobicContact CZ-CD1 3.46Å; F147-I151 VanDerWaalsContact CZ-CD1 3.46Å; F147-I151 HydrophobicContact CZ-CG1 3.9Å; F147-I151 PolarHBondContact O-N 3.13Å; F147-H204 HydrophobicContact CD2-CB 3.83Å; F147-H204 HydrophobicContact CE2-CB 4.04Å; F147-V205 HydrophobicContact CE2-CG2 4.02Å; F147-V205 HydrophobicContact CZ-CG2 3.96Å; F147-I208 HydrophobicContact CD1-CD1 4.04Å; F147-I208 HydrophobicContact CD2-CD1 3.53Å; F147-I208 HydrophobicContact CE1-CD1 4.12Å; F147-I208 HydrophobicContact CE2-CD1 3.63Å; F147-I208 HydrophobicContact CG-CD1 3.74Å; F147-I208 HydrophobicContact CZ-CD1 3.93Å; F147-W237 AromaticContact CE1-CH2 3.94Å; F147-W237 HydrophobicContact CE1-CH2 3.94Å; F147-W237 AromaticContact CE1-CZ3 3.58Å; F147-W237 HydrophobicContact CE1-CZ3 3.58Å; F147-W237 HydrophobicContact CE2-CH2 4.23Å; F147-W237 AromaticContact CZ-CH2 3.48Å; F147-W237 HydrophobicContact CZ-CH2 3.48Å; F147-W237 VanDerWaalsContact CZ-CH2 3.48Å; F147-W237 AromaticContact CZ-CZ3 3.65Å; F147-W237 HydrophobicContact CZ-CZ3 3.65Å; F147-F240 HydrophobicContact CB-CE1 3.66Å; F147-F240 HydrophobicContact CB-CZ 3.71Å; F147-F240 AromaticContact CD1-CE1 3.78Å; F147-F240 HydrophobicContact CD1-CE1 3.78Å; F147-F240 AromaticContact CG-CE1 3.8Å; F147-F240 HydrophobicContact CG-CE1 3.8Å; F147-F240 HydrophobicContact CG-CZ 4.19Å
148M97.6Very high97.6Very high57 Ų5728 Ų2828%0.28114%0.135SC..Hα-helixtrans-67-30.7174.6-66.4-64.7167.200112.2R144 Y145 S152R144-M148 WeakPolarHBondContact O-CB 3.25Å; R144-M148 WeakPolarHBondContact O-CG 3.42Å; R144-M148 PolarHBondContact O-N 3.46Å; R144-M148 VanDerWaalsContact O-N 3.07Å; Y145-M148 PolarHBondContact O-N 3.21Å; M148-S152 VanDerWaalsContact O-CB 3.3Å; M148-S152 WeakPolarHBondContact O-CB 3.37Å; M148-S152 PolarHBondContact O-N 3.46Å; M148-S152 PolarHBondContact O-OG 3.36Å
149F98.4Very high97.6Very high15 Ų1528.9 Ų28.97%0.06614%0.143CC..Hα-helixtrans-63.4-47.2168.1163.6-109.4000111.5I20 V54 C57 L58 Y145 F146 F147 I151 S152 L153I20-F149 HydrophobicContact CD1-CE2 4Å; I20-F149 HydrophobicContact CD1-CZ 3.79Å; V54-F149 HydrophobicContact CG1-CD2 4.23Å; V54-F149 HydrophobicContact CG1-CE2 4.2Å; C57-F149 HydrophobicContact CB-CB 3.68Å; L58-F149 HydrophobicContact CB-CD2 3.83Å; L58-F149 HydrophobicContact CB-CE2 3.89Å; L58-F149 HydrophobicContact CD1-CD2 4.32Å; L58-F149 HydrophobicContact CD1-CE1 4.28Å; L58-F149 HydrophobicContact CD1-CE2 3.88Å; L58-F149 HydrophobicContact CD1-CZ 3.85Å; L58-F149 HydrophobicContact CD2-CE2 4.24Å; L58-F149 HydrophobicContact CG-CE2 4.21Å; Y145-F149 VanDerWaalsContact O-CB 3.27Å; Y145-F149 WeakPolarHBondContact O-CB 3.28Å; Y145-F149 PolarHBondContact O-N 3.45Å; F146-F149 WeakPolarHBondContact O-CB 3.17Å; F146-F149 PolarHBondContact O-N 3.29Å; F147-F149 VanDerWaalsContact C-N 3.28Å; F147-F149 PolarHBondContact O-N 2.84Å; F149-I151 PolarHBondContact O-N 2.91Å; F149-S152 PolarHBondContact O-N 2.86Å; F149-S152 PolarHBondContact O-OG 3.08Å; F149-L153 HydrophobicContact CE1-CD2 4.36Å; F149-L153 HydrophobicContact CE2-CB 4.26Å; F149-L153 HydrophobicContact CE2-CD2 4.01Å; F149-L153 HydrophobicContact CZ-CD2 3.69Å; F149-L153 WeakPolarHBondContact O-CB 3.3Å; F149-L153 PolarHBondContact O-N 3.31Å
150L98.2Very high97.7Very high5 Ų529 Ų293%0.02614%0.144CC..Hα-helixtrans-59.2-47.4177-71.5179.8000112.7F146 F147 T154 L200 T201 H204F146-L150 HydrophobicContact CD1-CD1 4.19Å; F146-L150 HydrophobicContact CE1-CD1 3.64Å; F146-L150 HydrophobicContact CE1-CG 4.36Å; F146-L150 HydrophobicContact CZ-CD1 3.86Å; F146-L150 HydrophobicContact CZ-CD2 4.45Å; F146-L150 HydrophobicContact CZ-CG 4.29Å; F146-L150 WeakPolarHBondContact O-CG 3.44Å; F146-L150 PolarHBondContact O-N 2.94Å; F147-L150 PolarHBondContact O-N 2.72Å; L150-T154 WeakPolarHBondContact O-CB 3.32Å; L150-T154 PolarHBondContact O-N 3.34Å; L150-T154 PolarHBondContact O-OG1 3.49Å; L150-L200 HydrophobicContact CD1-CD2 4.37Å; L150-L200 HydrophobicContact CD1-CG 4Å; L150-L200 HydrophobicContact CD2-CD2 3.78Å; L150-L200 HydrophobicContact CD2-CG 4.11Å; L150-T201 HydrophobicContact CB-CG2 4.46Å; L150-H204 HydrophobicContact CD1-CB 4.45Å
151I98.2Very high97.8Very high62 Ų6229.9 Ų29.932%0.31815%0.148SC..Hα-helixtrans-61.4-51.7175.1-73.9-174000111.2F147 F149 L153 T154 L155 T201F147-I151 HydrophobicContact CD1-CD1 4.24Å; F147-I151 HydrophobicContact CE1-CD1 3.33Å; F147-I151 HydrophobicContact CE1-CG1 4.03Å; F147-I151 HydrophobicContact CE2-CD1 4.43Å; F147-I151 HydrophobicContact CE2-CG1 4.44Å; F147-I151 HydrophobicContact CZ-CD1 3.46Å; F147-I151 VanDerWaalsContact CZ-CD1 3.46Å; F147-I151 HydrophobicContact CZ-CG1 3.9Å; F147-I151 PolarHBondContact O-N 3.13Å; F149-I151 PolarHBondContact O-N 2.91Å; I151-L153 PolarHBondContact O-N 3.37Å; I151-T154 WeakPolarHBondContact O-CB 3.32Å; I151-T154 PolarHBondContact O-N 3.45Å; I151-L155 HydrophobicContact CG2-CD1 3.86Å; I151-L155 HydrophobicContact CG2-CG 4.37Å; I151-L155 WeakPolarHBondContact O-CG 3.42Å; I151-L155 PolarHBondContact O-N 3.19Å; I151-T201 HydrophobicContact CG1-CG2 4.2Å
152S98.4Very high97.9Very high4 Ų431.2 Ų31.23%0.02816%0.162CC..Hα-helixtrans-68.8-33.5-174.7560000112.9V54 M148 F149 H156V54-S152 WeakPolarHBondContact CG2-O 3.34Å; M148-S152 VanDerWaalsContact O-CB 3.3Å; M148-S152 WeakPolarHBondContact O-CB 3.37Å; M148-S152 PolarHBondContact O-N 3.46Å; M148-S152 PolarHBondContact O-OG 3.36Å; F149-S152 PolarHBondContact O-N 2.86Å; F149-S152 PolarHBondContact O-OG 3.08Å; S152-H156 VanDerWaalsContact O-CB 3.25Å; S152-H156 WeakPolarHBondContact O-CB 3.36Å; S152-H156 PolarHBondContact O-N 3.5Å
153L98.5Very high98Very high13 Ų1332.4 Ų32.47%0.06817%0.168CC..Hα-helixtrans-66.2-42.8171.2-178.662.3000111.1I20 V54 F149 I151 H156 M157 V197I20-L153 HydrophobicContact CD1-CD2 4.35Å; I20-L153 HydrophobicContact CG1-CD1 4.4Å; V54-L153 HydrophobicContact CG1-CD1 4.42Å; F149-L153 HydrophobicContact CE1-CD2 4.36Å; F149-L153 HydrophobicContact CE2-CB 4.26Å; F149-L153 HydrophobicContact CE2-CD2 4.01Å; F149-L153 HydrophobicContact CZ-CD2 3.69Å; F149-L153 WeakPolarHBondContact O-CB 3.3Å; F149-L153 PolarHBondContact O-N 3.31Å; I151-L153 PolarHBondContact O-N 3.37Å; L153-H156 PolarHBondContact O-N 3.03Å; L153-M157 HydrophobicContact CD1-CG 4.4Å; L153-M157 HydrophobicContact CD1-SD 4.5Å; L153-M157 HydrophobicContact CG-SD 4.13Å; L153-M157 WeakPolarHBondContact O-CB 3.38Å; L153-M157 VanDerWaalsContact O-CG 3.27Å; L153-M157 WeakPolarHBondContact O-CG 3.48Å; L153-M157 PolarHBondContact O-N 3.33Å; L153-V197 HydrophobicContact CD2-CG1 3.89Å; L153-V197 HydrophobicContact CD2-CG2 4.18Å; L153-V197 HydrophobicContact CG-CG1 4.08Å
154T98.5Very high98.1Very high10 Ų1031.7 Ų31.76%0.06116%0.162CC..Hα-helixtrans-60.3-46175.3-610000111.4L150 I151 M157 I158 F194 F198 T201L150-T154 WeakPolarHBondContact O-CB 3.32Å; L150-T154 PolarHBondContact O-N 3.34Å; L150-T154 PolarHBondContact O-OG1 3.49Å; I151-T154 WeakPolarHBondContact O-CB 3.32Å; I151-T154 PolarHBondContact O-N 3.45Å; T154-M157 PolarHBondContact O-N 3.36Å; T154-I158 HydrophobicContact CG2-CD1 4.14Å; T154-I158 WeakPolarHBondContact O-CG1 3.49Å; T154-I158 PolarHBondContact O-N 3.44Å; T154-F194 HydrophobicContact CG2-CE2 3.95Å; T154-F198 HydrophobicContact CG2-CD2 3.87Å; T154-T201 PolarHBondContact OG1-OG1 3.01Å; T154-T201 VanDerWaalsContact OG1-OG1 3.07Å
155L98.3Very high98.1Very high93 Ų9331.6 Ų31.649%0.48717%0.166SC..Hα-helixtrans-63.5-40.9175.3-69.6173000112.1I151 I158 A159I151-L155 HydrophobicContact CG2-CD1 3.86Å; I151-L155 HydrophobicContact CG2-CG 4.37Å; I151-L155 WeakPolarHBondContact O-CG 3.42Å; I151-L155 PolarHBondContact O-N 3.19Å; L155-I158 PolarHBondContact O-N 3.29Å; L155-A159 WeakPolarHBondContact O-CB 3.39Å; L155-A159 PolarHBondContact O-N 2.86Å
156H98.6Very high98.1Very high7 Ų731.5 Ų31.53%0.03217%0.172CC..Hα-helixtrans-63.2-43.2175.4179.453.6000111.8T24 L50 V51 V54 S152 L153 A159 V160T24-H156 PolarHBondContact OG1-NE2 2.93Å; L50-H156 HydrophobicContact CD2-CB 4.06Å; L50-H156 HydrophobicContact CG-CB 4.19Å; V51-H156 WeakPolarHBondContact CG2-CE1 3.42Å; V54-H156 HydrophobicContact CG2-CB 4.14Å; S152-H156 VanDerWaalsContact O-CB 3.25Å; S152-H156 WeakPolarHBondContact O-CB 3.36Å; S152-H156 PolarHBondContact O-N 3.5Å; L153-H156 PolarHBondContact O-N 3.03Å; H156-A159 PolarHBondContact O-N 2.67Å; H156-V160 WeakPolarHBondContact CE1-CG2 3.4Å; H156-V160 WeakPolarHBondContact O-CB 3.39Å; H156-V160 VanDerWaalsContact O-CG2 3.25Å; H156-V160 WeakPolarHBondContact O-CG2 3.44Å; H156-V160 PolarHBondContact O-N 3.47Å
157M98.4Very high98.1Very high20 Ų2031.5 Ų31.510%0.09917%0.172CC..Hα-helixtrans-61.6-44.8175.1-73172130.500112.1L153 T154 A159 V160 F161 V190 S193 F194 V197L153-M157 HydrophobicContact CD1-CG 4.4Å; L153-M157 HydrophobicContact CD1-SD 4.5Å; L153-M157 HydrophobicContact CG-SD 4.13Å; L153-M157 WeakPolarHBondContact O-CB 3.38Å; L153-M157 VanDerWaalsContact O-CG 3.27Å; L153-M157 WeakPolarHBondContact O-CG 3.48Å; L153-M157 PolarHBondContact O-N 3.33Å; T154-M157 PolarHBondContact O-N 3.36Å; M157-A159 VanDerWaalsContact C-N 3.33Å; M157-A159 PolarHBondContact O-N 2.97Å; M157-V160 PolarHBondContact O-N 3.33Å; M157-F161 WeakPolarHBondContact O-CB 3.49Å; M157-F161 PolarHBondContact O-N 3.31Å; M157-V190 HydrophobicContact CB-CG1 4.15Å; M157-V190 HydrophobicContact CG-CG1 4.4Å; M157-S193 VanDerWaalsContact CE-C 3.48Å; M157-S193 WeakPolarHBondContact CE-O 3.48Å; M157-F194 HydrophobicContact CB-CD2 3.93Å; M157-F194 HydrophobicContact SD-CD2 4.35Å; M157-V197 HydrophobicContact CE-CB 4.43Å; M157-V197 HydrophobicContact CE-CG2 4.08Å; M157-V197 HydrophobicContact SD-CB 3.92Å; M157-V197 HydrophobicContact SD-CG1 3.85Å; M157-V197 HydrophobicContact SD-CG2 4.13Å
158I98.4Very high98Very high76 Ų7633.1 Ų33.139%0.3918%0.181SC..Hα-helixtrans-60.5-44174.7-67.9164.4000110.6T154 L155 S162 F194T154-I158 HydrophobicContact CG2-CD1 4.14Å; T154-I158 WeakPolarHBondContact O-CG1 3.49Å; T154-I158 PolarHBondContact O-N 3.44Å; L155-I158 PolarHBondContact O-N 3.29Å; I158-S162 VanDerWaalsContact O-CB 3.29Å; I158-S162 WeakPolarHBondContact O-CB 3.45Å; I158-S162 PolarHBondContact O-N 3.11Å; I158-S162 PolarHBondContact O-OG 3.32Å; I158-F194 HydrophobicContact CD1-CE2 4.13Å; I158-F194 HydrophobicContact CD1-CZ 4.4Å; I158-F194 HydrophobicContact CG1-CE2 3.71Å; I158-F194 HydrophobicContact CG1-CZ 4.17Å
159A98.2Very high97.9Very high21 Ų2136.7 Ų36.717%0.17420%0.2CC..Hα-helixtrans-67.7-44.7-179.300000112.1H47 L50 L155 H156 M157 S162 I163H47-A159 VanDerWaalsContact CE1-CB 3.48Å; H47-A159 WeakPolarHBondContact CE1-CB 3.42Å; L50-A159 HydrophobicContact CD2-CB 4.42Å; L155-A159 WeakPolarHBondContact O-CB 3.39Å; L155-A159 PolarHBondContact O-N 2.86Å; H156-A159 PolarHBondContact O-N 2.67Å; M157-A159 VanDerWaalsContact C-N 3.33Å; M157-A159 PolarHBondContact O-N 2.97Å; A159-S162 PolarHBondContact O-N 2.74Å; A159-I163 WeakPolarHBondContact O-CG1 3.35Å; A159-I163 PolarHBondContact O-N 3.46Å
160V98.3Very high97.8Very high4 Ų441 Ų412%0.02422%0.224CC..Hα-helixtrans-61.3-46.8174.5168.90000111Y27 H156 M157 T164 T186 V190Y27-V160 HydrophobicContact CD1-CG2 3.75Å; Y27-V160 HydrophobicContact CD2-CB 4.23Å; Y27-V160 HydrophobicContact CD2-CG1 3.67Å; Y27-V160 HydrophobicContact CD2-CG2 4.11Å; Y27-V160 HydrophobicContact CE1-CG2 3.93Å; Y27-V160 HydrophobicContact CE2-CB 4.33Å; Y27-V160 HydrophobicContact CE2-CG1 4.18Å; Y27-V160 HydrophobicContact CE2-CG2 4.26Å; Y27-V160 HydrophobicContact CG-CB 4.42Å; Y27-V160 HydrophobicContact CG-CG1 3.94Å; Y27-V160 HydrophobicContact CG-CG2 3.85Å; H156-V160 WeakPolarHBondContact CE1-CG2 3.4Å; H156-V160 WeakPolarHBondContact O-CB 3.39Å; H156-V160 VanDerWaalsContact O-CG2 3.25Å; H156-V160 WeakPolarHBondContact O-CG2 3.44Å; H156-V160 PolarHBondContact O-N 3.47Å; M157-V160 PolarHBondContact O-N 3.33Å; V160-T164 VanDerWaalsContact O-CB 3.22Å; V160-T164 WeakPolarHBondContact O-CB 3.39Å; V160-T164 PolarHBondContact O-N 2.97Å; V160-T164 PolarHBondContact O-OG1 3.32Å; V160-T186 HydrophobicContact CG1-CG2 4.2Å; V160-V190 HydrophobicContact CG1-CG2 3.82Å
161F98.2Very high97.5Very high84 Ų8442.7 Ų42.737%0.36823%0.233SC..Hα-helixtrans-60.6-48177.5-173.5-87.8000111M157 T164 L165 L187 V190M157-F161 WeakPolarHBondContact O-CB 3.49Å; M157-F161 PolarHBondContact O-N 3.31Å; F161-T164 PolarHBondContact O-N 2.81Å; F161-L165 HydrophobicContact CE1-CD2 3.95Å; F161-L165 VanDerWaalsContact O-CB 3.22Å; F161-L165 WeakPolarHBondContact O-CB 3.33Å; F161-L165 PolarHBondContact O-N 2.85Å; F161-L187 HydrophobicContact CD2-CD2 3.59Å; F161-L187 HydrophobicContact CE2-CD2 3.74Å; F161-L187 HydrophobicContact CG-CD2 4.01Å; F161-L187 HydrophobicContact CZ-CD2 4.27Å; F161-V190 HydrophobicContact CB-CG1 4.2Å
162S97.9Very high97.2Very high60 Ų6047.6 Ų47.642%0.4226%0.26SS..Hα-helixtrans-61.8-48.8-178.6-57.30000112.6I158 A159 A166I158-S162 VanDerWaalsContact O-CB 3.29Å; I158-S162 WeakPolarHBondContact O-CB 3.45Å; I158-S162 PolarHBondContact O-N 3.11Å; I158-S162 PolarHBondContact O-OG 3.32Å; A159-S162 PolarHBondContact O-N 2.74Å; S162-A166 WeakPolarHBondContact O-CB 3.37Å; S162-A166 PolarHBondContact O-N 3.5Å
163I98Very high97Very high26 Ų2652.1 Ų52.113%0.13328%0.281CS..Hα-helixtrans-69.5-36.7179.1-62.8-63.7000111.4Y27 F35 I43 A159 S167Y27-I163 HydrophobicContact CE2-CB 4.1Å; Y27-I163 HydrophobicContact CE2-CG2 4.05Å; Y27-I163 VanDerWaalsContact OH-CB 3.31Å; Y27-I163 WeakPolarHBondContact OH-CB 3.3Å; Y27-I163 WeakPolarHBondContact OH-CG2 3.33Å; F35-I163 HydrophobicContact CB-CG2 4.19Å; F35-I163 HydrophobicContact CD1-CD1 4.13Å; F35-I163 HydrophobicContact CD1-CG2 3.77Å; F35-I163 HydrophobicContact CD2-CG2 4.38Å; F35-I163 HydrophobicContact CE1-CD1 3.69Å; F35-I163 HydrophobicContact CE1-CG2 4.22Å; F35-I163 HydrophobicContact CG-CG2 3.86Å; F35-I163 HydrophobicContact CZ-CD1 4.33Å; I43-I163 HydrophobicContact CG2-CD1 4.06Å; I43-I163 HydrophobicContact CG2-CG1 4.49Å; A159-I163 WeakPolarHBondContact O-CG1 3.35Å; A159-I163 PolarHBondContact O-N 3.46Å; I163-S167 WeakPolarHBondContact O-CB 3.27Å; I163-S167 PolarHBondContact O-N 3.44Å
164T97.9Very high96.8Very high1 Ų155.2 Ų55.21%0.00630%0.301CS..Hα-helixtrans-70-38.1177.8-50.50000111.7I31 V160 F161 S167 L168 R183 T186 L187I31-T164 HydrophobicContact CD1-CG2 3.76Å; I31-T164 HydrophobicContact CG2-CG2 4.28Å; V160-T164 VanDerWaalsContact O-CB 3.22Å; V160-T164 WeakPolarHBondContact O-CB 3.39Å; V160-T164 PolarHBondContact O-N 2.97Å; V160-T164 PolarHBondContact O-OG1 3.32Å; F161-T164 PolarHBondContact O-N 2.81Å; T164-S167 PolarHBondContact O-N 3.34Å; T164-L168 WeakPolarHBondContact O-CB 3.47Å; T164-L168 PolarHBondContact O-N 3.42Å; T164-R183 HydrophobicContact CG2-CB 3.78Å; T164-R183 HydrophobicContact CG2-CG 3.99Å; T164-R183 WeakPolarHBondContact CG2-O 3.47Å; T164-T186 HydrophobicContact CG2-CG2 4.44Å; T164-L187 HydrophobicContact CG2-CD1 4.1Å; T164-L187 HydrophobicContact CG2-CD2 4.23Å; T164-L187 HydrophobicContact CG2-CG 3.69Å
165L97.8Very high96.6Very high63 Ų6360.8 Ų60.833%0.3333%0.329SS..Hα-helixtrans-66.1-48.3175-178.960.2000110.8F161 S167 L168 L169 L187F161-L165 HydrophobicContact CE1-CD2 3.95Å; F161-L165 VanDerWaalsContact O-CB 3.22Å; F161-L165 WeakPolarHBondContact O-CB 3.33Å; F161-L165 PolarHBondContact O-N 2.85Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 2.92Å; L165-L168 PolarHBondContact O-N 3.27Å; L165-L168 VanDerWaalsContact O-N 3.1Å; L165-L169 HydrophobicContact CD1-CD1 3.9Å; L165-L169 HydrophobicContact CD1-CG 4.06Å; L165-L169 HydrophobicContact CG-CD1 3.88Å; L165-L169 HydrophobicContact CG-CG 4.42Å; L165-L169 WeakPolarHBondContact O-CG 3.18Å; L165-L169 PolarHBondContact O-N 3.26Å; L165-L187 HydrophobicContact CB-CD2 4.08Å
166A97.4Very high96.4Very high30 Ų3062 Ų6225%0.24834%0.341CS..Hα-helixtrans-58.3-44.8173.800000111.6F35 S162 L168 L169 L170F35-A166 HydrophobicContact CE2-CB 3.94Å; F35-A166 HydrophobicContact CZ-CB 4Å; S162-A166 WeakPolarHBondContact O-CB 3.37Å; S162-A166 PolarHBondContact O-N 3.5Å; A166-L168 PolarHBondContact O-N 3.2Å; A166-L169 PolarHBondContact O-N 3.33Å; A166-L170 HydrophobicContact CB-CD1 4.31Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.21Å; A166-L170 VanDerWaalsContact O-CG 3.26Å; A166-L170 WeakPolarHBondContact O-CG 3.45Å; A166-L170 PolarHBondContact O-N 3Å
167S96.3Very high96.3Very high6 Ų665.2 Ų65.24%0.04235%0.354CS..Hα-helixtrans-66.7-16.7177.3-173.60000114.3I163 T164 L165 N171 R183I163-S167 WeakPolarHBondContact O-CB 3.27Å; I163-S167 PolarHBondContact O-N 3.44Å; T164-S167 PolarHBondContact O-N 3.34Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 2.92Å; S167-N171 WeakPolarHBondContact O-CB 3.33Å; S167-R183 PolarHBondContact O-NE 3.34Å; S167-R183 PolarHBondContact O-NH1 2.69Å; S167-R183 VanDerWaalsContact OG-CZ 3.3Å; S167-R183 PolarHBondContact OG-NE 3.02Å; S167-R183 PolarHBondContact OG-NH2 3.17Å; S167-R183 VanDerWaalsContact OG-NH2 3.07Å
168L96.4Very high96.1Very high38 Ų3871 Ų7120%0.19938%0.376CS..Hα-helixtrans-91.7-40.4174.3-178.263.6000111.4T164 L165 A166 N180 R183 I184 L187T164-L168 WeakPolarHBondContact O-CB 3.47Å; T164-L168 PolarHBondContact O-N 3.42Å; L165-L168 PolarHBondContact O-N 3.27Å; L165-L168 VanDerWaalsContact O-N 3.1Å; A166-L168 PolarHBondContact O-N 3.2Å; L168-N180 HydrophobicContact CD1-CB 4Å; L168-R183 HydrophobicContact CB-CB 4.39Å; L168-R183 HydrophobicContact CD1-CB 4.25Å; L168-I184 HydrophobicContact CD1-CD1 4.44Å; L168-I184 HydrophobicContact CD1-CG1 4.25Å; L168-I184 HydrophobicContact CD2-CD1 4.48Å; L168-I184 HydrophobicContact CD2-CG1 3.74Å; L168-L187 HydrophobicContact CD2-CD1 3.77Å
169L96.3Very high95.9Very high132 Ų13267.7 Ų67.769%0.69136%0.36SS*.Hα-helixtrans-73.9-29.2179.9-66.9174.6000113.4L165 A166 N171L165-L169 HydrophobicContact CD1-CD1 3.9Å; L165-L169 HydrophobicContact CD1-CG 4.06Å; L165-L169 HydrophobicContact CG-CD1 3.88Å; L165-L169 HydrophobicContact CG-CG 4.42Å; L165-L169 WeakPolarHBondContact O-CG 3.18Å; L165-L169 PolarHBondContact O-N 3.26Å; A166-L169 PolarHBondContact O-N 3.33Å; L169-N171 VanDerWaalsContact C-N 3.35Å
170L95.6Very high95.8Very high107 Ų10766.8 Ų66.856%0.5635%0.352SS*.THydrogen-bonded Turntrans-96.428.6-177.7-59.5170000112.8F35 A166F35-L170 HydrophobicContact CE2-CD1 4.49Å; A166-L170 HydrophobicContact CB-CD1 4.31Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.21Å; A166-L170 VanDerWaalsContact O-CG 3.26Å; A166-L170 WeakPolarHBondContact O-CG 3.45Å; A166-L170 PolarHBondContact O-N 3Å
171N92.5Very high95.8Very high39 Ų3970.3 Ų70.321%0.20937%0.37CS..  trans-134.4114.2-170170.7110.2000111.7S167 L169 Q173 N180 R183S167-N171 WeakPolarHBondContact O-CB 3.33Å; L169-N171 VanDerWaalsContact C-N 3.35Å; N171-Q173 VanDerWaalsContact C-N 3.28Å; N171-Q173 WeakPolarHBondContact ND2-CB 2.9Å; N171-Q173 PolarHBondContact ND2-N 3.42Å; N171-Q173 VanDerWaalsContact ND2-N 3.15Å; N171-Q173 PolarHBondContact ND2-O 3.02Å; N171-Q173 PolarHBondContact O-N 2.95Å; N171-N180 PolarHBondContact ND2-ND2 3.42Å; N171-N180 PolarHBondContact ND2-OD1 3.03Å; N171-R183 PolarHBondContact OD1-NH1 3.35Å
172D92.4Very high95.7Very high166 Ų16668.1 Ų68.189%0.88836%0.361SS*.  trans-75.1-8.7-174.7-47-64.3000115.1
173Q93.7Very high95.7Very high99 Ų9965.8 Ų65.846%0.46334%0.343SS..SBendtrans-68.9144.1177.5-56.6-60.2-47.300110.7N171 F177 N180N171-Q173 VanDerWaalsContact C-N 3.28Å; N171-Q173 WeakPolarHBondContact ND2-CB 2.9Å; N171-Q173 PolarHBondContact ND2-N 3.42Å; N171-Q173 VanDerWaalsContact ND2-N 3.15Å; N171-Q173 PolarHBondContact ND2-O 3.02Å; N171-Q173 PolarHBondContact O-N 2.95Å; Q173-F177 HydrophobicContact CB-CB 4.1Å; Q173-F177 HydrophobicContact CB-CD1 3.95Å; Q173-F177 HydrophobicContact CB-CG 4.09Å; Q173-F177 HydrophobicContact CG-CD1 4.19Å; Q173-F177 HydrophobicContact CG-CE1 4.41Å; Q173-N180 PolarHBondContact O-ND2 3.44Å
174P94.5Very high95.7Very high78 Ų7867.4 Ų67.451%0.50635%0.352SS..  trans-62.9155.5-177.626.7-35.8000112.3V176 F177 N180P174-V176 HydrophobicContact CB-CG2 4.27Å; P174-V176 HydrophobicContact CG-CG2 4.37Å; P174-V176 PolarHBondContact O-N 3.18Å; P174-V176 VanDerWaalsContact O-N 3.11Å; P174-F177 HydrophobicContact CG-CB 4.46Å; P174-F177 WeakPolarHBondContact O-CB 3.43Å; P174-F177 PolarHBondContact O-N 3.39Å; P174-N180 PolarHBondContact O-ND2 2.96Å
175I93.3Very high95.7Very high126 Ų12671.7 Ų71.765%0.64637%0.374SS*.THydrogen-bonded Turntrans-55.8-33-176.6-68.1171.6000112.7F177 N180 I184I175-F177 PolarHBondContact O-N 2.94Å; I175-N180 WeakPolarHBondContact O-CB 3.19Å; I175-I184 HydrophobicContact CG2-CD1 3.78Å
176V94.7Very high95.7Very high120 Ų12068.9 Ų68.973%0.72736%0.359SS*.THydrogen-bonded Turntrans-73.7-5.4177.9-60.40000114.5P174 I181P174-V176 HydrophobicContact CB-CG2 4.27Å; P174-V176 HydrophobicContact CG-CG2 4.37Å; P174-V176 PolarHBondContact O-N 3.18Å; P174-V176 VanDerWaalsContact O-N 3.11Å; V176-I181 WeakPolarHBondContact O-CD1 3.19Å
177F95.4Very high95.7Very high73 Ų7368.4 Ų68.432%0.3235%0.352SS..SBendtrans-72.2139.3176.3-170.5-108.1000110.8Q173 P174 I175 T179 N180 I181Q173-F177 HydrophobicContact CB-CB 4.1Å; Q173-F177 HydrophobicContact CB-CD1 3.95Å; Q173-F177 HydrophobicContact CB-CG 4.09Å; Q173-F177 HydrophobicContact CG-CD1 4.19Å; Q173-F177 HydrophobicContact CG-CE1 4.41Å; P174-F177 HydrophobicContact CG-CB 4.46Å; P174-F177 WeakPolarHBondContact O-CB 3.43Å; P174-F177 PolarHBondContact O-N 3.39Å; I175-F177 PolarHBondContact O-N 2.94Å; F177-T179 VanDerWaalsContact C-N 3.3Å; F177-T179 HydrophobicContact CD1-CG2 4.44Å; F177-T179 VanDerWaalsContact CD1-OG1 3.25Å; F177-T179 WeakPolarHBondContact CD1-OG1 3.5Å; F177-T179 HydrophobicContact CE1-CG2 4.01Å; F177-T179 WeakPolarHBondContact CE1-OG1 3.42Å; F177-T179 PolarHBondContact O-N 3.18Å; F177-T179 VanDerWaalsContact O-N 3.13Å; F177-N180 WeakPolarHBondContact O-CA 3.33Å; F177-N180 WeakPolarHBondContact O-CB 3.3Å; F177-N180 PolarHBondContact O-N 3.41Å; F177-I181 PolarHBondContact O-N 3.48Å; F177-I181 VanDerWaalsContact O-N 3.08Å
178Y94.8Very high95.7Very high142 Ų14271.3 Ų71.356%0.55737%0.373SS*.Hα-helixtrans-60.8-32.4-164.970.6-86.6000114.5N180 I181 I182Y178-N180 VanDerWaalsContact C-N 3.34Å; Y178-I181 PolarHBondContact O-N 2.93Å; Y178-I182 HydrophobicContact CD2-CD1 4.29Å; Y178-I182 VanDerWaalsContact O-CG1 3.32Å; Y178-I182 WeakPolarHBondContact O-CG1 3.31Å; Y178-I182 PolarHBondContact O-N 3.31Å
179T94.9Very high95.8Very high7 Ų773.3 Ų73.34%0.04338%0.383CS..Hα-helixtrans-68.9-33.117561.30000112.2F177 I182 R183F177-T179 VanDerWaalsContact C-N 3.3Å; F177-T179 HydrophobicContact CD1-CG2 4.44Å; F177-T179 VanDerWaalsContact CD1-OG1 3.25Å; F177-T179 WeakPolarHBondContact CD1-OG1 3.5Å; F177-T179 HydrophobicContact CE1-CG2 4.01Å; F177-T179 WeakPolarHBondContact CE1-OG1 3.42Å; F177-T179 PolarHBondContact O-N 3.18Å; F177-T179 VanDerWaalsContact O-N 3.13Å; T179-I182 PolarHBondContact O-N 3.36Å; T179-R183 WeakPolarHBondContact O-CD 3.5Å; T179-R183 VanDerWaalsContact O-CG 3.23Å; T179-R183 WeakPolarHBondContact O-CG 3.37Å; T179-R183 PolarHBondContact O-N 3.46Å; T179-R183 PolarHBondContact OG1-NH1 2.89Å
180N96.3Very high95.9Very high2 Ų267.4 Ų67.41%0.01135%0.353CS..Hα-helixtrans-70.4-39.5173.6-72.6-22.5000111.7L168 N171 Q173 P174 I175 F177 Y178 I182 R183 I184L168-N180 HydrophobicContact CD1-CB 4Å; N171-N180 PolarHBondContact ND2-ND2 3.42Å; N171-N180 PolarHBondContact ND2-OD1 3.03Å; Q173-N180 PolarHBondContact O-ND2 3.44Å; P174-N180 PolarHBondContact O-ND2 2.96Å; I175-N180 WeakPolarHBondContact O-CB 3.19Å; F177-N180 WeakPolarHBondContact O-CA 3.33Å; F177-N180 WeakPolarHBondContact O-CB 3.3Å; F177-N180 PolarHBondContact O-N 3.41Å; Y178-N180 VanDerWaalsContact C-N 3.34Å; N180-I182 VanDerWaalsContact C-N 3.33Å; N180-I182 PolarHBondContact O-N 3.23Å; N180-R183 PolarHBondContact O-N 2.93Å; N180-R183 PolarHBondContact OD1-NH1 3.46Å; N180-I184 WeakPolarHBondContact O-CB 3.41Å; N180-I184 VanDerWaalsContact O-CG1 3.27Å; N180-I184 WeakPolarHBondContact O-CG1 3.44Å; N180-I184 PolarHBondContact O-N 2.95Å
181I97.2Very high95.9Very high77 Ų7763.6 Ų63.640%0.39534%0.339SS..Hα-helixtrans-58.2-46.2171.4-63174.6000110.3V176 F177 Y178 R183 I184 I185V176-I181 WeakPolarHBondContact O-CD1 3.19Å; F177-I181 PolarHBondContact O-N 3.48Å; F177-I181 VanDerWaalsContact O-N 3.08Å; Y178-I181 PolarHBondContact O-N 2.93Å; I181-R183 PolarHBondContact O-N 3.07Å; I181-I184 PolarHBondContact O-N 3.43Å; I181-I185 HydrophobicContact CG2-CD1 3.75Å; I181-I185 HydrophobicContact CG2-CG1 4.46Å; I181-I185 WeakPolarHBondContact O-CB 3.38Å; I181-I185 VanDerWaalsContact O-CG1 3.3Å; I181-I185 WeakPolarHBondContact O-CG1 3.35Å; I181-I185 PolarHBondContact O-N 3.46Å
182I97.1Very high96.1Very high38 Ų3866.2 Ų66.220%0.19536%0.356CS..Hα-helixtrans-61.5-43.1176-68.2164.5000111.6V26 F30 I31 Y178 T179 N180 T186V26-I182 HydrophobicContact CG1-CG2 3.85Å; F30-I182 HydrophobicContact CB-CG2 4.11Å; F30-I182 HydrophobicContact CD1-CD1 4.31Å; F30-I182 HydrophobicContact CG-CD1 4.34Å; I31-I182 HydrophobicContact CD1-CG2 4.35Å; Y178-I182 HydrophobicContact CD2-CD1 4.29Å; Y178-I182 VanDerWaalsContact O-CG1 3.32Å; Y178-I182 WeakPolarHBondContact O-CG1 3.31Å; Y178-I182 PolarHBondContact O-N 3.31Å; T179-I182 PolarHBondContact O-N 3.36Å; N180-I182 VanDerWaalsContact C-N 3.33Å; N180-I182 PolarHBondContact O-N 3.23Å; I182-T186 VanDerWaalsContact O-CB 3.31Å; I182-T186 WeakPolarHBondContact O-CB 3.39Å; I182-T186 PolarHBondContact O-N 3.31Å; I182-T186 PolarHBondContact O-OG1 3.37Å
183R97.4Very high96.3Very high11 Ų1160.1 Ų60.14%0.04233%0.327CS..Hα-helixtrans-60.8-45.9175.6-72.2162.1-177.9151.3-6.7111.9I31 T164 S167 L168 N171 T179 N180 I181 T186 L187I31-R183 HydrophobicContact CD1-CG 4.27Å; I31-R183 HydrophobicContact CG1-CG 3.99Å; T164-R183 HydrophobicContact CG2-CB 3.78Å; T164-R183 HydrophobicContact CG2-CG 3.99Å; T164-R183 WeakPolarHBondContact CG2-O 3.47Å; S167-R183 PolarHBondContact O-NE 3.34Å; S167-R183 PolarHBondContact O-NH1 2.69Å; S167-R183 VanDerWaalsContact OG-CZ 3.3Å; S167-R183 PolarHBondContact OG-NE 3.02Å; S167-R183 PolarHBondContact OG-NH2 3.17Å; S167-R183 VanDerWaalsContact OG-NH2 3.07Å; L168-R183 HydrophobicContact CB-CB 4.39Å; L168-R183 HydrophobicContact CD1-CB 4.25Å; N171-R183 PolarHBondContact OD1-NH1 3.35Å; T179-R183 WeakPolarHBondContact O-CD 3.5Å; T179-R183 VanDerWaalsContact O-CG 3.23Å; T179-R183 WeakPolarHBondContact O-CG 3.37Å; T179-R183 PolarHBondContact O-N 3.46Å; T179-R183 PolarHBondContact OG1-NH1 2.89Å; N180-R183 PolarHBondContact O-N 2.93Å; N180-R183 PolarHBondContact OD1-NH1 3.46Å; I181-R183 PolarHBondContact O-N 3.07Å; R183-T186 PolarHBondContact O-N 2.87Å; R183-L187 WeakPolarHBondContact O-CB 3.47Å; R183-L187 WeakPolarHBondContact O-CG 3.46Å; R183-L187 PolarHBondContact O-N 3.38Å
184I97.6Very high96.5Very high61 Ų6158.1 Ų58.131%0.31332%0.316SS..Hα-helixtrans-66.3-43.4-179.6-69.6164.7000111.3L168 I175 N180 I181 T186 L187 S188L168-I184 HydrophobicContact CD1-CD1 4.44Å; L168-I184 HydrophobicContact CD1-CG1 4.25Å; L168-I184 HydrophobicContact CD2-CD1 4.48Å; L168-I184 HydrophobicContact CD2-CG1 3.74Å; I175-I184 HydrophobicContact CG2-CD1 3.78Å; N180-I184 WeakPolarHBondContact O-CB 3.41Å; N180-I184 VanDerWaalsContact O-CG1 3.27Å; N180-I184 WeakPolarHBondContact O-CG1 3.44Å; N180-I184 PolarHBondContact O-N 2.95Å; I181-I184 PolarHBondContact O-N 3.43Å; I184-T186 VanDerWaalsContact C-N 3.35Å; I184-L187 PolarHBondContact O-N 3.01Å; I184-S188 WeakPolarHBondContact O-CB 3.48Å; I184-S188 PolarHBondContact O-N 2.95Å; I184-S188 PolarHBondContact O-OG 3.2Å
185I97.7Very high96.6Very high90 Ų9060.3 Ų60.346%0.46232%0.323SS..Hα-helixtrans-61.8-44.6173.9-68.6168.7000110.3I181 S188 L189I181-I185 HydrophobicContact CG2-CD1 3.75Å; I181-I185 HydrophobicContact CG2-CG1 4.46Å; I181-I185 WeakPolarHBondContact O-CB 3.38Å; I181-I185 VanDerWaalsContact O-CG1 3.3Å; I181-I185 WeakPolarHBondContact O-CG1 3.35Å; I181-I185 PolarHBondContact O-N 3.46Å; I185-S188 PolarHBondContact O-N 3.49Å; I185-L189 HydrophobicContact CG2-CD1 3.83Å; I185-L189 HydrophobicContact CG2-CG 4.33Å; I185-L189 WeakPolarHBondContact O-CB 3.35Å; I185-L189 WeakPolarHBondContact O-CG 2.98Å; I185-L189 PolarHBondContact O-N 2.89Å
186T97.7Very high96.8Very high4 Ų457.2 Ų57.23%0.02531%0.311CS..Hα-helixtrans-62.9-46178.8-56.80000111.6I23 I31 V160 T164 I182 R183 I184 S188 L189 V190I23-T186 HydrophobicContact CG2-CG2 4.41Å; I31-T186 HydrophobicContact CD1-CG2 3.93Å; V160-T186 HydrophobicContact CG1-CG2 4.2Å; T164-T186 HydrophobicContact CG2-CG2 4.44Å; I182-T186 VanDerWaalsContact O-CB 3.31Å; I182-T186 WeakPolarHBondContact O-CB 3.39Å; I182-T186 PolarHBondContact O-N 3.31Å; I182-T186 PolarHBondContact O-OG1 3.37Å; R183-T186 PolarHBondContact O-N 2.87Å; I184-T186 VanDerWaalsContact C-N 3.35Å; T186-S188 VanDerWaalsContact C-N 3.33Å; T186-S188 PolarHBondContact O-N 3.44Å; T186-L189 PolarHBondContact O-N 3.47Å; T186-V190 HydrophobicContact CG2-CG2 4.34Å; T186-V190 WeakPolarHBondContact O-CB 3.15Å; T186-V190 VanDerWaalsContact O-CG2 3.23Å; T186-V190 WeakPolarHBondContact O-CG2 3.33Å; T186-V190 PolarHBondContact O-N 3.46Å
187L97.7Very high96.9Very high20 Ų2052.8 Ų52.811%0.10528%0.284CS..Hα-helixtrans-59.6-41.8174.5-77.3164.7000112.2F161 T164 L165 L168 R183 I184 G191F161-L187 HydrophobicContact CD2-CD2 3.59Å; F161-L187 HydrophobicContact CE2-CD2 3.74Å; F161-L187 HydrophobicContact CG-CD2 4.01Å; F161-L187 HydrophobicContact CZ-CD2 4.27Å; T164-L187 HydrophobicContact CG2-CD1 4.1Å; T164-L187 HydrophobicContact CG2-CD2 4.23Å; T164-L187 HydrophobicContact CG2-CG 3.69Å; L165-L187 HydrophobicContact CB-CD2 4.08Å; L168-L187 HydrophobicContact CD2-CD1 3.77Å; R183-L187 WeakPolarHBondContact O-CB 3.47Å; R183-L187 WeakPolarHBondContact O-CG 3.46Å; R183-L187 PolarHBondContact O-N 3.38Å; I184-L187 PolarHBondContact O-N 3.01Å; L187-G191 PolarHBondContact O-N 3.33Å
188S97.5Very high97Very high68 Ų6854 Ų5448%0.47629%0.289SS..Hα-helixtrans-65.4-49.2179.6-56.70000111.5I184 I185 T186 G191 V192I184-S188 WeakPolarHBondContact O-CB 3.48Å; I184-S188 PolarHBondContact O-N 2.95Å; I184-S188 PolarHBondContact O-OG 3.2Å; I185-S188 PolarHBondContact O-N 3.49Å; T186-S188 VanDerWaalsContact C-N 3.33Å; T186-S188 PolarHBondContact O-N 3.44Å; S188-G191 PolarHBondContact O-N 2.78Å; S188-V192 WeakPolarHBondContact O-CG2 3.43Å; S188-V192 PolarHBondContact O-N 3.13Å
189L97.3Very high97.1Very high80 Ų8048.4 Ų48.442%0.41928%0.275SS..Hα-helixtrans-63.6-43.1178.8-69.9173.4000112I23 I185 T186 S193I23-L189 HydrophobicContact CD1-CB 4.12Å; I23-L189 HydrophobicContact CD1-CD1 4.39Å; I23-L189 HydrophobicContact CG1-CD1 4.41Å; I185-L189 HydrophobicContact CG2-CD1 3.83Å; I185-L189 HydrophobicContact CG2-CG 4.33Å; I185-L189 WeakPolarHBondContact O-CB 3.35Å; I185-L189 WeakPolarHBondContact O-CG 2.98Å; I185-L189 PolarHBondContact O-N 2.89Å; T186-L189 PolarHBondContact O-N 3.47Å; L189-S193 WeakPolarHBondContact O-CB 3.21Å; L189-S193 PolarHBondContact O-N 3.43Å; L189-S193 PolarHBondContact O-OG 3.5Å
190V97.9Very high97.2Very high8 Ų851.2 Ų51.25%0.04829%0.289CS..Hα-helixtrans-69.3-42.7178.51730000111I23 M157 V160 F161 T186 S193 F194I23-V190 HydrophobicContact CG2-CG2 3.88Å; M157-V190 HydrophobicContact CB-CG1 4.15Å; M157-V190 HydrophobicContact CG-CG1 4.4Å; V160-V190 HydrophobicContact CG1-CG2 3.82Å; F161-V190 HydrophobicContact CB-CG1 4.2Å; T186-V190 HydrophobicContact CG2-CG2 4.34Å; T186-V190 WeakPolarHBondContact O-CB 3.15Å; T186-V190 VanDerWaalsContact O-CG2 3.23Å; T186-V190 WeakPolarHBondContact O-CG2 3.33Å; T186-V190 PolarHBondContact O-N 3.46Å; V190-S193 PolarHBondContact O-N 3.39Å; V190-F194 VanDerWaalsContact O-CB 3.23Å; V190-F194 WeakPolarHBondContact O-CB 3.3Å; V190-F194 PolarHBondContact O-N 3Å
191G96.7Very high97.3Very high26 Ų2651.7 Ų51.727%0.26829%0.292SS..Hα-helixtrans-62.4-46.9178.600000113.1L187 S188 F194L187-G191 PolarHBondContact O-N 3.33Å; S188-G191 PolarHBondContact O-N 2.78Å; G191-F194 PolarHBondContact O-N 3.45Å
192V96.9Very high97.3Very high95 Ų9550.2 Ų50.258%0.57629%0.289SS*.Hα-helixtrans-63.4-43.3175172.40000111S188 F194 P196S188-V192 WeakPolarHBondContact O-CG2 3.43Å; S188-V192 PolarHBondContact O-N 3.13Å; V192-F194 VanDerWaalsContact C-N 3.32Å; V192-F194 PolarHBondContact O-N 3.05Å; V192-P196 VanDerWaalsContact O-CD 3.3Å; V192-P196 WeakPolarHBondContact O-CD 3.1Å
193S96.1Very high97.4Very high38 Ų3849.4 Ų49.427%0.26628%0.284SS..Hα-helixtrans-71.9-24-179.4-55.40000113.5M157 L189 V190 P196 V197M157-S193 VanDerWaalsContact CE-C 3.48Å; M157-S193 WeakPolarHBondContact CE-O 3.48Å; L189-S193 WeakPolarHBondContact O-CB 3.21Å; L189-S193 PolarHBondContact O-N 3.43Å; L189-S193 PolarHBondContact O-OG 3.5Å; V190-S193 PolarHBondContact O-N 3.39Å; S193-P196 WeakPolarHBondContact O-CD 3.43Å; S193-P196 WeakPolarHBondContact O-CG 3.23Å; S193-V197 WeakPolarHBondContact O-CG2 3.25Å
194F97.3Very high97.4Very high56 Ų5649.4 Ų49.425%0.24628%0.284CS..Hα-helixtrans-67.1-38.6-179.5177.8-102.7000112.2T154 M157 I158 V190 G191 V192 V197 F198T154-F194 HydrophobicContact CG2-CE2 3.95Å; M157-F194 HydrophobicContact CB-CD2 3.93Å; M157-F194 HydrophobicContact SD-CD2 4.35Å; I158-F194 HydrophobicContact CD1-CE2 4.13Å; I158-F194 HydrophobicContact CD1-CZ 4.4Å; I158-F194 HydrophobicContact CG1-CE2 3.71Å; I158-F194 HydrophobicContact CG1-CZ 4.17Å; V190-F194 VanDerWaalsContact O-CB 3.23Å; V190-F194 WeakPolarHBondContact O-CB 3.3Å; V190-F194 PolarHBondContact O-N 3Å; G191-F194 PolarHBondContact O-N 3.45Å; V192-F194 VanDerWaalsContact C-N 3.32Å; V192-F194 PolarHBondContact O-N 3.05Å; F194-V197 PolarHBondContact O-N 3.42Å; F194-F198 HydrophobicContact CD1-CB 4.3Å; F194-F198 HydrophobicContact CD2-CB 4.43Å; F194-F198 HydrophobicContact CE1-CB 3.95Å; F194-F198 HydrophobicContact CE1-CD2 4.23Å; F194-F198 HydrophobicContact CE1-CG 4.03Å; F194-F198 HydrophobicContact CE2-CB 4.09Å; F194-F198 HydrophobicContact CE2-CD2 4.07Å; F194-F198 HydrophobicContact CE2-CG 4.4Å; F194-F198 HydrophobicContact CZ-CB 3.85Å; F194-F198 AromaticContact CZ-CD2 3.54Å; F194-F198 HydrophobicContact CZ-CD2 3.54Å; F194-F198 HydrophobicContact CZ-CE2 4.29Å; F194-F198 AromaticContact CZ-CG 3.79Å; F194-F198 HydrophobicContact CZ-CG 3.79Å; F194-F198 WeakPolarHBondContact O-CB 3.42Å; F194-F198 PolarHBondContact O-N 3.23Å
195I96.9Very high97.4Very high125 Ų12549.2 Ų49.264%0.64129%0.286SS*.Hα-helixtrans-54.2-56.4-177.5-61.5169.8000112.3G199I195-G199 PolarHBondContact O-N 3.17Å; I195-G199 VanDerWaalsContact O-N 3.08Å
196P96.8Very high97.4Very high61 Ų6148 Ų4840%0.39628%0.276SS..Hα-helixtrans-68.9-36.5178.726.5-34.8000113.2V192 S193 L200 W492V192-P196 VanDerWaalsContact O-CD 3.3Å; V192-P196 WeakPolarHBondContact O-CD 3.1Å; S193-P196 WeakPolarHBondContact O-CD 3.43Å; S193-P196 WeakPolarHBondContact O-CG 3.23Å; P196-L200 VanDerWaalsContact O-CB 3.27Å; P196-L200 WeakPolarHBondContact O-CB 3.33Å; P196-L200 PolarHBondContact O-N 3.42Å; P196-W492 HydrophobicContact CG-CZ3 4.45Å
197V97.5Very high97.3Very high26 Ų2647.8 Ų47.816%0.15828%0.275CS..Hα-helixtrans-68-42.3-179.4173.70000111.5L153 M157 S193 F194 T201L153-V197 HydrophobicContact CD2-CG1 3.89Å; L153-V197 HydrophobicContact CD2-CG2 4.18Å; L153-V197 HydrophobicContact CG-CG1 4.08Å; M157-V197 HydrophobicContact CE-CB 4.43Å; M157-V197 HydrophobicContact CE-CG2 4.08Å; M157-V197 HydrophobicContact SD-CB 3.92Å; M157-V197 HydrophobicContact SD-CG1 3.85Å; M157-V197 HydrophobicContact SD-CG2 4.13Å; S193-V197 WeakPolarHBondContact O-CG2 3.25Å; F194-V197 PolarHBondContact O-N 3.42Å; V197-T201 WeakPolarHBondContact O-CB 3.26Å; V197-T201 PolarHBondContact O-N 3.42Å; V197-T201 PolarHBondContact O-OG1 2.96Å
198F97.8Very high97.3Very high98 Ų9847.3 Ų47.343%0.4327%0.272SS..Hα-helixtrans-65.4-47.9175.3-176.1-99.1000110.9T154 F194 L200 T201 S202T154-F198 HydrophobicContact CG2-CD2 3.87Å; F194-F198 HydrophobicContact CD1-CB 4.3Å; F194-F198 HydrophobicContact CD2-CB 4.43Å; F194-F198 HydrophobicContact CE1-CB 3.95Å; F194-F198 HydrophobicContact CE1-CD2 4.23Å; F194-F198 HydrophobicContact CE1-CG 4.03Å; F194-F198 HydrophobicContact CE2-CB 4.09Å; F194-F198 HydrophobicContact CE2-CD2 4.07Å; F194-F198 HydrophobicContact CE2-CG 4.4Å; F194-F198 HydrophobicContact CZ-CB 3.85Å; F194-F198 AromaticContact CZ-CD2 3.54Å; F194-F198 HydrophobicContact CZ-CD2 3.54Å; F194-F198 HydrophobicContact CZ-CE2 4.29Å; F194-F198 AromaticContact CZ-CG 3.79Å; F194-F198 HydrophobicContact CZ-CG 3.79Å; F194-F198 WeakPolarHBondContact O-CB 3.42Å; F194-F198 PolarHBondContact O-N 3.23Å; F198-L200 PolarHBondContact O-N 3.24Å; F198-T201 WeakPolarHBondContact O-CA 3.2Å; F198-T201 WeakPolarHBondContact O-CB 3.44Å; F198-T201 PolarHBondContact O-N 3.44Å; F198-T201 VanDerWaalsContact O-N 3.08Å; F198-S202 PolarHBondContact O-N 2.8Å; F198-S202 PolarHBondContact O-OG 3.21Å
199G97.4Very high97.3Very high25 Ų2545.6 Ų45.626%0.25826%0.26SS..Hα-helixtrans-57.4-44.5176.900000113.2I195 T201 S202 F203I195-G199 PolarHBondContact O-N 3.17Å; I195-G199 VanDerWaalsContact O-N 3.08Å; G199-T201 PolarHBondContact O-N 3.5Å; G199-S202 PolarHBondContact O-N 3Å; G199-F203 WeakPolarHBondContact O-CB 3.34Å; G199-F203 PolarHBondContact O-N 3.19Å
200L97.1Very high97.1Very high66 Ų6647.8 Ų47.835%0.34626%0.263SS..Hα-helixtrans-63.6-39.2174.5-178.160000112.1F146 L150 P196 F198 F203 H204F146-L200 HydrophobicContact CZ-CD2 4.36Å; L150-L200 HydrophobicContact CD1-CD2 4.37Å; L150-L200 HydrophobicContact CD1-CG 4Å; L150-L200 HydrophobicContact CD2-CD2 3.78Å; L150-L200 HydrophobicContact CD2-CG 4.11Å; P196-L200 VanDerWaalsContact O-CB 3.27Å; P196-L200 WeakPolarHBondContact O-CB 3.33Å; P196-L200 PolarHBondContact O-N 3.42Å; F198-L200 PolarHBondContact O-N 3.24Å; L200-F203 HydrophobicContact CD1-CD1 4.45Å; L200-F203 PolarHBondContact O-N 3.4Å; L200-H204 PolarHBondContact O-CD2 3.11Å; L200-H204 VanDerWaalsContact O-CD2 3.31Å; L200-H204 PolarHBondContact O-N 3.37Å
201T98.1Very high97Very high12 Ų1248 Ų487%0.07427%0.266CS..Hα-helixtrans-63.1-46.8175.2-56.90000111.2L150 I151 T154 V197 F198 G199 F203 H204 V205L150-T201 HydrophobicContact CB-CG2 4.46Å; I151-T201 HydrophobicContact CG1-CG2 4.2Å; T154-T201 PolarHBondContact OG1-OG1 3.01Å; T154-T201 VanDerWaalsContact OG1-OG1 3.07Å; V197-T201 WeakPolarHBondContact O-CB 3.26Å; V197-T201 PolarHBondContact O-N 3.42Å; V197-T201 PolarHBondContact O-OG1 2.96Å; F198-T201 WeakPolarHBondContact O-CA 3.2Å; F198-T201 WeakPolarHBondContact O-CB 3.44Å; F198-T201 PolarHBondContact O-N 3.44Å; F198-T201 VanDerWaalsContact O-N 3.08Å; G199-T201 PolarHBondContact O-N 3.5Å; T201-F203 VanDerWaalsContact C-N 3.35Å; T201-F203 PolarHBondContact O-N 3.22Å; T201-H204 PolarHBondContact O-N 3.24Å; T201-V205 WeakPolarHBondContact O-CG2 3.49Å; T201-V205 PolarHBondContact O-N 2.84Å
202S98Very high96.9Very high46 Ų4647.6 Ų47.632%0.32226%0.258SS..Hα-helixtrans-61.7-39.1174.9-58.50000112.7F198 G199 V205 Y206F198-S202 PolarHBondContact O-N 2.8Å; F198-S202 PolarHBondContact O-OG 3.21Å; G199-S202 PolarHBondContact O-N 3Å; S202-V205 WeakPolarHBondContact O-CB 3.41Å; S202-V205 PolarHBondContact O-N 2.91Å; S202-Y206 PolarHBondContact O-N 2.89Å
203F97.9Very high96.8Very high22 Ų2243.4 Ų43.410%0.09623%0.233CC..Hα-helixtrans-62-46.2175.5177-114000111.9G199 L200 T201 V205 Y206 L207 T214 Q217 V497 T501G199-F203 WeakPolarHBondContact O-CB 3.34Å; G199-F203 PolarHBondContact O-N 3.19Å; L200-F203 HydrophobicContact CD1-CD1 4.45Å; L200-F203 PolarHBondContact O-N 3.4Å; T201-F203 VanDerWaalsContact C-N 3.35Å; T201-F203 PolarHBondContact O-N 3.22Å; F203-V205 PolarHBondContact O-N 2.8Å; F203-Y206 HydrophobicContact CD2-CD1 4.49Å; F203-Y206 WeakPolarHBondContact O-CB 3.48Å; F203-Y206 PolarHBondContact O-N 2.77Å; F203-L207 HydrophobicContact CD1-CD1 3.93Å; F203-L207 HydrophobicContact CE1-CD1 3.45Å; F203-L207 VanDerWaalsContact CE1-CD1 3.45Å; F203-L207 HydrophobicContact CE1-CG 4.2Å; F203-L207 HydrophobicContact CE2-CD1 4.34Å; F203-L207 HydrophobicContact CE2-CD2 4.34Å; F203-L207 HydrophobicContact CE2-CG 4.24Å; F203-L207 HydrophobicContact CZ-CD1 3.69Å; F203-L207 HydrophobicContact CZ-CD2 4.18Å; F203-L207 HydrophobicContact CZ-CG 4.06Å; F203-L207 WeakPolarHBondContact O-CG 3.38Å; F203-L207 PolarHBondContact O-N 2.84Å; F203-T214 HydrophobicContact CE1-CG2 3.9Å; F203-T214 HydrophobicContact CZ-CG2 4.2Å; F203-Q217 HydrophobicContact CE2-CG 4.42Å; F203-V497 HydrophobicContact CE2-CG1 4.08Å; F203-V497 HydrophobicContact CZ-CG1 4Å; F203-T501 HydrophobicContact CD2-CG2 4.2Å
204H97.6Very high96.9Very high11 Ų1142.5 Ų42.55%0.05123%0.226CC..Hα-helixtrans-68.2-33.3175.8-78.8-72.6000113.2D128 F146 F147 L150 L200 T201 Y206 L207 I208 T214D128-H204 IonicContact OD2-CE1 3.55Å; F146-H204 AromaticContact CE1-CD2 3.88Å; F146-H204 AromaticContact CE1-CE1 3.91Å; F146-H204 AromaticContact CE1-NE2 3.51Å; F147-H204 HydrophobicContact CD2-CB 3.83Å; F147-H204 HydrophobicContact CE2-CB 4.04Å; L150-H204 HydrophobicContact CD1-CB 4.45Å; L200-H204 PolarHBondContact O-CD2 3.11Å; L200-H204 VanDerWaalsContact O-CD2 3.31Å; L200-H204 PolarHBondContact O-N 3.37Å; T201-H204 PolarHBondContact O-N 3.24Å; H204-Y206 VanDerWaalsContact C-N 3.32Å; H204-Y206 PolarHBondContact O-N 3.11Å; H204-L207 PolarHBondContact O-N 3.01Å; H204-I208 WeakPolarHBondContact O-CB 3.49Å; H204-I208 WeakPolarHBondContact O-CD1 3.18Å; H204-I208 VanDerWaalsContact O-CG1 3.23Å; H204-I208 WeakPolarHBondContact O-CG1 3.49Å; H204-I208 PolarHBondContact O-N 2.89Å; H204-T214 PolarHBondContact CE1-OG1 2.64Å
205V98Very high96.8Very high57 Ų5740.7 Ų40.735%0.34522%0.218SC..Hα-helixtrans-57.8-43.7169.6164.70000111.2F147 T201 S202 F203 S209 W237F147-V205 HydrophobicContact CE2-CG2 4.02Å; F147-V205 HydrophobicContact CZ-CG2 3.96Å; T201-V205 WeakPolarHBondContact O-CG2 3.49Å; T201-V205 PolarHBondContact O-N 2.84Å; S202-V205 WeakPolarHBondContact O-CB 3.41Å; S202-V205 PolarHBondContact O-N 2.91Å; F203-V205 PolarHBondContact O-N 2.8Å; V205-S209 VanDerWaalsContact O-CB 3.31Å; V205-S209 WeakPolarHBondContact O-CB 3.26Å; V205-S209 PolarHBondContact O-N 3.33Å; V205-S209 VanDerWaalsContact O-N 3.08Å; V205-S209 PolarHBondContact O-OG 2.73Å; V205-W237 HydrophobicContact CB-CH2 4.4Å; V205-W237 HydrophobicContact CB-CZ2 4.27Å; V205-W237 HydrophobicContact CG1-CZ2 4.04Å; V205-W237 HydrophobicContact CG2-CH2 4.07Å; V205-W237 HydrophobicContact CG2-CZ2 4.36Å; V205-W237 WeakPolarHBondContact O-CZ2 3.44Å
206Y97.1Very high96.7Very high63 Ų6334.9 Ų34.925%0.24719%0.188CC..Hα-helixtrans-64.6-47.2174.6159.1-94.1000112.5S202 F203 H204 S209 R210 M212 Q217S202-Y206 PolarHBondContact O-N 2.89Å; F203-Y206 HydrophobicContact CD2-CD1 4.49Å; F203-Y206 WeakPolarHBondContact O-CB 3.48Å; F203-Y206 PolarHBondContact O-N 2.77Å; H204-Y206 VanDerWaalsContact C-N 3.32Å; H204-Y206 PolarHBondContact O-N 3.11Å; Y206-S209 PolarHBondContact O-N 3.21Å; Y206-R210 HydrophobicContact CE2-CG 4.19Å; Y206-R210 PolarHBondContact O-N 3.02Å; Y206-R210 VanDerWaalsContact O-N 3.11Å; Y206-R210 PolarHBondContact OH-NH1 3.48Å; Y206-M212 HydrophobicContact CE1-CE 4.35Å; Y206-Q217 PolarHBondContact OH-OE1 3.04Å
207L96.8Very high96.5Very high1 Ų133.7 Ų33.71%0.00518%0.178CC..Hα-helixtrans-60.3-48179.7-73.4178.7000112.5F203 H204 R210 G211 M212 T214 Q217F203-L207 HydrophobicContact CD1-CD1 3.93Å; F203-L207 HydrophobicContact CE1-CD1 3.45Å; F203-L207 VanDerWaalsContact CE1-CD1 3.45Å; F203-L207 HydrophobicContact CE1-CG 4.2Å; F203-L207 HydrophobicContact CE2-CD1 4.34Å; F203-L207 HydrophobicContact CE2-CD2 4.34Å; F203-L207 HydrophobicContact CE2-CG 4.24Å; F203-L207 HydrophobicContact CZ-CD1 3.69Å; F203-L207 HydrophobicContact CZ-CD2 4.18Å; F203-L207 HydrophobicContact CZ-CG 4.06Å; F203-L207 WeakPolarHBondContact O-CG 3.38Å; F203-L207 PolarHBondContact O-N 2.84Å; H204-L207 PolarHBondContact O-N 3.01Å; L207-R210 CarbonylContact O-C 3.59Å; L207-R210 PolarHBondContact O-N 3.45Å; L207-G211 PolarHBondContact O-N 3.01Å; L207-M212 HydrophobicContact CD2-CB 4.32Å; L207-M212 HydrophobicContact CD2-CE 4.36Å; L207-M212 PolarHBondContact O-N 2.94Å; L207-T214 VanDerWaalsContact CD1-OG1 3.3Å; L207-T214 WeakPolarHBondContact CD1-OG1 3.47Å; L207-Q217 HydrophobicContact CD2-CB 3.64Å; L207-Q217 HydrophobicContact CD2-CG 4.01Å
208I97.3Very high96.3Very high10 Ų1036 Ų365%0.05119%0.191CC..Hα-helixtrans-62-45.5178-65.1162.2000109.8F147 H204 R210 G211 N236 W237 F240F147-I208 HydrophobicContact CD1-CD1 4.04Å; F147-I208 HydrophobicContact CD2-CD1 3.53Å; F147-I208 HydrophobicContact CE1-CD1 4.12Å; F147-I208 HydrophobicContact CE2-CD1 3.63Å; F147-I208 HydrophobicContact CG-CD1 3.74Å; F147-I208 HydrophobicContact CZ-CD1 3.93Å; H204-I208 WeakPolarHBondContact O-CB 3.49Å; H204-I208 WeakPolarHBondContact O-CD1 3.18Å; H204-I208 VanDerWaalsContact O-CG1 3.23Å; H204-I208 WeakPolarHBondContact O-CG1 3.49Å; H204-I208 PolarHBondContact O-N 2.89Å; I208-R210 PolarHBondContact O-N 3.5Å; I208-G211 PolarHBondContact O-N 2.97Å; I208-N236 WeakPolarHBondContact O-CB 3.24Å; I208-W237 HydrophobicContact CB-CH2 3.94Å; I208-W237 HydrophobicContact CB-CZ2 3.95Å; I208-W237 HydrophobicContact CB-CZ3 4.24Å; I208-W237 HydrophobicContact CD1-CH2 3.83Å; I208-W237 HydrophobicContact CD1-CZ3 3.89Å; I208-W237 HydrophobicContact CG2-CD2 3.58Å; I208-W237 HydrophobicContact CG2-CE3 3.58Å; I208-W237 HydrophobicContact CG2-CG 4.18Å; I208-W237 HydrophobicContact CG2-CH2 3.89Å; I208-W237 HydrophobicContact CG2-CZ2 3.91Å; I208-W237 HydrophobicContact CG2-CZ3 3.74Å; I208-F240 HydrophobicContact CD1-CD1 3.73Å; I208-F240 HydrophobicContact CD1-CD2 4.28Å; I208-F240 HydrophobicContact CD1-CE1 3.54Å; I208-F240 HydrophobicContact CD1-CE2 4.11Å; I208-F240 HydrophobicContact CD1-CG 4.1Å; I208-F240 HydrophobicContact CD1-CZ 3.74Å; I208-F240 HydrophobicContact CG1-CD1 4.18Å; I208-F240 HydrophobicContact CG1-CD2 3.96Å; I208-F240 HydrophobicContact CG1-CE1 4.28Å; I208-F240 HydrophobicContact CG1-CE2 4.05Å; I208-F240 HydrophobicContact CG1-CG 4.02Å; I208-F240 HydrophobicContact CG1-CZ 4.21Å; I208-F240 HydrophobicContact CG2-CB 3.77Å; I208-F240 HydrophobicContact CG2-CD1 4.24Å; I208-F240 HydrophobicContact CG2-CD2 4.5Å; I208-F240 HydrophobicContact CG2-CG 3.92Å
209S96.8Very high96Very high32 Ų3235.3 Ų35.322%0.22420%0.195CC..Hα-helixtrans-56.9-34177.5-60.50000112.9V205 Y206 N236 W237V205-S209 VanDerWaalsContact O-CB 3.31Å; V205-S209 WeakPolarHBondContact O-CB 3.26Å; V205-S209 PolarHBondContact O-N 3.33Å; V205-S209 VanDerWaalsContact O-N 3.08Å; V205-S209 PolarHBondContact O-OG 2.73Å; Y206-S209 PolarHBondContact O-N 3.21Å; S209-N236 PolarHBondContact O-ND2 3.02Å; S209-W237 PolarHBondContact OG-NE1 3.45Å
210R94.5Very high95.5Very high125 Ų12536.5 Ų36.547%0.47220%0.196SC..Hα-helixtrans-91-2.7175.9-66-164.669-170-0.1115.1Y206 L207 I208 M212 N227 T230Y206-R210 HydrophobicContact CE2-CG 4.19Å; Y206-R210 PolarHBondContact O-N 3.02Å; Y206-R210 VanDerWaalsContact O-N 3.11Å; Y206-R210 PolarHBondContact OH-NH1 3.48Å; L207-R210 CarbonylContact O-C 3.59Å; L207-R210 PolarHBondContact O-N 3.45Å; I208-R210 PolarHBondContact O-N 3.5Å; R210-M212 VanDerWaalsContact C-N 3.33Å; R210-M212 HydrophobicContact CB-CE 3.92Å; R210-M212 HydrophobicContact CB-CG 4.21Å; R210-M212 HydrophobicContact CB-SD 4.46Å; R210-M212 PolarHBondContact O-N 3.34Å; R210-N227 PolarHBondContact O-ND2 3.01Å; R210-T230 PolarHBondContact O-OG1 2.77Å
211G94.8Very high94.8Very high12 Ų1237.2 Ų37.212%0.12420%0.196CC..THydrogen-bonded Turntrans69.724.2-179.500000114.5R113 L207 I208 N227 N236R113-G211 PolarHBondContact NH2-O 3.04Å; L207-G211 PolarHBondContact O-N 3.01Å; I208-G211 PolarHBondContact O-N 2.97Å; G211-N227 PolarHBondContact O-ND2 2.99Å; G211-N236 PolarHBondContact N-ND2 2.98Å
212M94.5Very high94Very high19 Ų1938.2 Ų38.29%0.09420%0.2CC..  trans-108.8157.1-175.4-59.5-173.1-50.200112Y206 L207 R210 E216 Q217 F222 N227Y206-M212 HydrophobicContact CE1-CE 4.35Å; L207-M212 HydrophobicContact CD2-CB 4.32Å; L207-M212 HydrophobicContact CD2-CE 4.36Å; L207-M212 PolarHBondContact O-N 2.94Å; R210-M212 VanDerWaalsContact C-N 3.33Å; R210-M212 HydrophobicContact CB-CE 3.92Å; R210-M212 HydrophobicContact CB-CG 4.21Å; R210-M212 HydrophobicContact CB-SD 4.46Å; R210-M212 PolarHBondContact O-N 3.34Å; M212-E216 WeakPolarHBondContact CA-OE2 3.37Å; M212-E216 HydrophobicContact CB-CB 4.46Å; M212-Q217 HydrophobicContact CE-CB 4.42Å; M212-Q217 VanDerWaalsContact CE-OE1 3.3Å; M212-F222 HydrophobicContact SD-CD2 4.37Å; M212-N227 WeakPolarHBondContact CG-ND2 3.41Å
213T95.9Very high93Very high7 Ų744.7 Ų44.74%0.04322%0.217CC..  trans-91.9162.7164.561.20000111.8T126 D128 N215 E216 Q217T126-T213 HydrophobicContact CG2-CG2 3.67Å; D128-T213 WeakPolarHBondContact OD1-CA 3.41Å; D128-T213 VanDerWaalsContact OD1-CB 3.23Å; D128-T213 WeakPolarHBondContact OD1-CB 3.47Å; T213-N215 PolarHBondContact O-N 2.8Å; T213-E216 PolarHBondContact N-OE2 3.42Å; T213-E216 WeakPolarHBondContact O-CB 3.44Å; T213-E216 PolarHBondContact O-N 3.49Å; T213-E216 VanDerWaalsContact O-N 3.11Å; T213-E216 WeakPolarHBondContact OG1-CB 3.49Å; T213-E216 VanDerWaalsContact OG1-CG 3.3Å; T213-E216 WeakPolarHBondContact OG1-CG 3.29Å; T213-E216 PolarHBondContact OG1-N 3.35Å; T213-E216 VanDerWaalsContact OG1-N 3.09Å; T213-E216 PolarHBondContact OG1-OE1 3Å; T213-E216 PolarHBondContact OG1-OE2 3.07Å; T213-Q217 PolarHBondContact O-N 3.47Å
214T96.7Very high92Very high19 Ų1948 Ų4812%0.11726%0.258CS..Hα-helixtrans-54.7-52.5171.3-55.60000110.6D128 F203 H204 L207 E216 Q217 V218D128-T214 PolarHBondContact OD1-N 2.99Å; D128-T214 PolarHBondContact OD1-OG1 3.11Å; D128-T214 WeakPolarHBondContact OD2-CB 3.4Å; D128-T214 PolarHBondContact OD2-OG1 3.37Å; F203-T214 HydrophobicContact CE1-CG2 3.9Å; F203-T214 HydrophobicContact CZ-CG2 4.2Å; H204-T214 PolarHBondContact CE1-OG1 2.64Å; L207-T214 VanDerWaalsContact CD1-OG1 3.3Å; L207-T214 WeakPolarHBondContact CD1-OG1 3.47Å; T214-E216 VanDerWaalsContact C-N 3.3Å; T214-E216 PolarHBondContact O-N 3.28Å; T214-Q217 CarbonylContact O-C 3.23Å; T214-Q217 PolarHBondContact O-N 3.39Å; T214-V218 HydrophobicContact CG2-CG1 4.13Å; T214-V218 WeakPolarHBondContact O-CG2 3.45Å; T214-V218 PolarHBondContact O-N 2.94Å
215N95.1Very high91.2Very high17 Ų1752.4 Ų52.49%0.09128%0.281CS..Hα-helixtrans-45.9-47170172.620.6000113.4S115 F127 D128 T213 T219 K221S115-N215 PolarHBondContact OG-ND2 2.92Å; F127-N215 HydrophobicContact CD1-CB 4.15Å; F127-N215 VanDerWaalsContact O-CB 3.25Å; F127-N215 WeakPolarHBondContact O-CB 3.5Å; F127-N215 PolarHBondContact O-ND2 3.41Å; D128-N215 VanDerWaalsContact O-CB 3.26Å; D128-N215 WeakPolarHBondContact O-CB 3.49Å; D128-N215 PolarHBondContact O-N 3.46Å; T213-N215 PolarHBondContact O-N 2.8Å; N215-T219 PolarHBondContact O-N 2.87Å; N215-T219 PolarHBondContact O-OG1 2.9Å; N215-T219 VanDerWaalsContact O-OG1 3.04Å; N215-K221 PolarHBondContact ND2-NZ 2.88Å; N215-K221 WeakPolarHBondContact OD1-CE 3.36Å; N215-K221 PolarHBondContact OD1-NZ 3.09Å
216E94.6Very high90.5Very high3 Ų356.9 Ų56.91%0.01430%0.302CS..Hα-helixtrans-66.5-35.5176.7-78.8147.5-15400114R113 M212 T213 T214 D220 K221 F222R113-E216 WeakPolarHBondContact CB-OE1 3.47Å; R113-E216 WeakPolarHBondContact CG-OE1 3.35Å; R113-E216 IonicContact CZ-OE1 3.38Å; R113-E216 IonicContact CZ-OE2 3.56Å; R113-E216 IonicContact NE-OE1 3.48Å; R113-E216 PolarHBondContact NE-OE1 2.98Å; R113-E216 IonicContact NE-OE2 2.8Å; R113-E216 PolarHBondContact NE-OE2 2.95Å; R113-E216 IonicContact NH2-OE1 2.69Å; R113-E216 IonicContact NH2-OE2 3.55Å; R113-E216 PolarHBondContact NH2-OE2 3.35Å; M212-E216 WeakPolarHBondContact CA-OE2 3.37Å; M212-E216 HydrophobicContact CB-CB 4.46Å; T213-E216 PolarHBondContact N-OE2 3.42Å; T213-E216 WeakPolarHBondContact O-CB 3.44Å; T213-E216 PolarHBondContact O-N 3.49Å; T213-E216 VanDerWaalsContact O-N 3.11Å; T213-E216 WeakPolarHBondContact OG1-CB 3.49Å; T213-E216 VanDerWaalsContact OG1-CG 3.3Å; T213-E216 WeakPolarHBondContact OG1-CG 3.29Å; T213-E216 PolarHBondContact OG1-N 3.35Å; T213-E216 VanDerWaalsContact OG1-N 3.09Å; T213-E216 PolarHBondContact OG1-OE1 3Å; T213-E216 PolarHBondContact OG1-OE2 3.07Å; T214-E216 VanDerWaalsContact C-N 3.3Å; T214-E216 PolarHBondContact O-N 3.28Å; E216-D220 VanDerWaalsContact O-CA 3.3Å; E216-D220 WeakPolarHBondContact O-CA 3.3Å; E216-D220 PolarHBondContact O-N 3.13Å; E216-D220 VanDerWaalsContact O-N 3.11Å; E216-K221 HydrophobicContact CB-CD 4.44Å; E216-K221 HydrophobicContact CG-CD 3.76Å; E216-K221 HydrophobicContact CG-CG 4.46Å; E216-K221 PolarHBondContact O-N 3.14Å; E216-K221 VanDerWaalsContact O-N 3.09Å; E216-F222 HydrophobicContact CB-CE2 4.01Å; E216-F222 HydrophobicContact CG-CE2 3.91Å; E216-F222 HydrophobicContact CG-CZ 4.28Å
217Q94.4Very high90.2Very high37 Ų3754.6 Ų54.617%0.17329%0.294CS..Hα-helixtrans-76.1-38.2177.3177.960.191.800112.7F203 Y206 L207 M212 T213 T214 D220F203-Q217 HydrophobicContact CE2-CG 4.42Å; Y206-Q217 PolarHBondContact OH-OE1 3.04Å; L207-Q217 HydrophobicContact CD2-CB 3.64Å; L207-Q217 HydrophobicContact CD2-CG 4.01Å; M212-Q217 HydrophobicContact CE-CB 4.42Å; M212-Q217 VanDerWaalsContact CE-OE1 3.3Å; T213-Q217 PolarHBondContact O-N 3.47Å; T214-Q217 CarbonylContact O-C 3.23Å; T214-Q217 PolarHBondContact O-N 3.39Å; Q217-D220 PolarHBondContact O-N 3.06Å
218V93Very high89.9Confident73 Ų7355 Ų5544%0.44230%0.297SS..Hα-helixtrans-83.4-35.3-177.2-56.20000113.1T214 V497T214-V218 HydrophobicContact CG2-CG1 4.13Å; T214-V218 WeakPolarHBondContact O-CG2 3.45Å; T214-V218 PolarHBondContact O-N 2.94Å; V218-V497 HydrophobicContact CG1-CG1 4.15Å; V218-V497 HydrophobicContact CG1-CG2 3.91Å
219T90Very high89.6Confident84 Ų8456 Ų5652%0.51530%0.301SS..THydrogen-bonded Turntrans-86.13.7167.980.60000112.3N215 K221N215-T219 PolarHBondContact O-N 2.87Å; N215-T219 PolarHBondContact O-OG1 2.9Å; N215-T219 VanDerWaalsContact O-OG1 3.04Å; T219-K221 VanDerWaalsContact C-N 3.34Å; T219-K221 PolarHBondContact O-N 2.93Å; T219-K221 WeakPolarHBondContact OG1-CE 3.48Å; T219-K221 WeakPolarHBondContact OG1-CG 3.43Å
220D88Confident89.4Confident50 Ų5057.4 Ų57.427%0.26731%0.308SS..THydrogen-bonded Turntrans46.948.9170.1-140.2-19.9000114E216 Q217 F222 R223E216-D220 VanDerWaalsContact O-CA 3.3Å; E216-D220 WeakPolarHBondContact O-CA 3.3Å; E216-D220 PolarHBondContact O-N 3.13Å; E216-D220 VanDerWaalsContact O-N 3.11Å; Q217-D220 PolarHBondContact O-N 3.06Å; D220-F222 PolarHBondContact O-N 3.35Å; D220-R223 HydrophobicContact CB-CG 3.85Å; D220-R223 WeakPolarHBondContact O-CG 3.31Å; D220-R223 PolarHBondContact O-N 3.4Å; D220-R223 WeakPolarHBondContact OD1-CG 3.46Å; D220-R223 IonicContact OD2-CZ 3.19Å; D220-R223 IonicContact OD2-NE 2.73Å; D220-R223 PolarHBondContact OD2-NE 3.42Å; D220-R223 IonicContact OD2-NH2 2.8Å; D220-R223 PolarHBondContact OD2-NH2 2.87Å
221K82.6Confident89.3Confident81 Ų8155.2 Ų55.235%0.35231%0.305SS..THydrogen-bonded Turntrans-64.5-10.4-167.8-56.4-176.2-163.8163.10114.4N215 E216 T219N215-K221 PolarHBondContact ND2-NZ 2.88Å; N215-K221 WeakPolarHBondContact OD1-CE 3.36Å; N215-K221 PolarHBondContact OD1-NZ 3.09Å; E216-K221 HydrophobicContact CB-CD 4.44Å; E216-K221 HydrophobicContact CG-CD 3.76Å; E216-K221 HydrophobicContact CG-CG 4.46Å; E216-K221 PolarHBondContact O-N 3.14Å; E216-K221 VanDerWaalsContact O-N 3.09Å; T219-K221 VanDerWaalsContact C-N 3.34Å; T219-K221 PolarHBondContact O-N 2.93Å; T219-K221 WeakPolarHBondContact OG1-CE 3.48Å; T219-K221 WeakPolarHBondContact OG1-CG 3.43Å
222F80.6Confident89.2Confident34 Ų3456.5 Ų56.515%0.14932%0.319CS..THydrogen-bonded Turntrans-12427.2-175.4-48.3-59.4000112M212 E216 D220 G224 L225 N227 P228 F229M212-F222 HydrophobicContact SD-CD2 4.37Å; E216-F222 HydrophobicContact CB-CE2 4.01Å; E216-F222 HydrophobicContact CG-CE2 3.91Å; E216-F222 HydrophobicContact CG-CZ 4.28Å; D220-F222 PolarHBondContact O-N 3.35Å; F222-G224 PolarHBondContact O-N 3.02Å; F222-L225 PolarHBondContact O-N 2.93Å; F222-L225 VanDerWaalsContact O-O 3.07Å; F222-N227 HydrophobicContact CD2-CB 4.12Å; F222-N227 HydrophobicContact CE2-CB 4.4Å; F222-N227 WeakPolarHBondContact CE2-OD1 3.47Å; F222-N227 HydrophobicContact CG-CB 4.44Å; F222-P228 HydrophobicContact CE1-CG 4.16Å; F222-F229 AromaticContact CZ-CD2 3.91Å; F222-F229 HydrophobicContact CZ-CD2 3.91Å; F222-F229 AromaticContact CZ-CE2 3.94Å; F222-F229 HydrophobicContact CZ-CE2 3.94Å
223R78.1Confident89.2Confident182 Ų18258.7 Ų58.769%0.68734%0.335SS*.THydrogen-bonded Turntrans-53112.8172.1-81.6-175176.4150.715.9111D220 L225D220-R223 HydrophobicContact CB-CG 3.85Å; D220-R223 WeakPolarHBondContact O-CG 3.31Å; D220-R223 PolarHBondContact O-N 3.4Å; D220-R223 WeakPolarHBondContact OD1-CG 3.46Å; D220-R223 IonicContact OD2-CZ 3.19Å; D220-R223 IonicContact OD2-NE 2.73Å; D220-R223 PolarHBondContact OD2-NE 3.42Å; D220-R223 IonicContact OD2-NH2 2.8Å; D220-R223 PolarHBondContact OD2-NH2 2.87Å; R223-L225 VanDerWaalsContact O-CD1 3.29Å; R223-L225 WeakPolarHBondContact O-CD1 3.36Å; R223-L225 PolarHBondContact O-N 3.01Å
224G76.4Confident89.2Confident92 Ų9265.5 Ų65.595%0.94837%0.37SS*.THydrogen-bonded Turntrans74.81-178.500000115.5F222F222-G224 PolarHBondContact O-N 3.02Å
225L79.8Confident89.2Confident102 Ų10268.3 Ų68.353%0.53438%0.384SS..SBendtrans-112.3151.8178.9-77.280.6000111.1V96 F222 R223V96-L225 HydrophobicContact CG1-CD2 3.94Å; F222-L225 PolarHBondContact O-N 2.93Å; F222-L225 VanDerWaalsContact O-O 3.07Å; R223-L225 VanDerWaalsContact O-CD1 3.29Å; R223-L225 WeakPolarHBondContact O-CD1 3.36Å; R223-L225 PolarHBondContact O-N 3.01Å
226L84.6Confident89.3Confident152 Ų15267.8 Ų67.880%0.79638%0.382SS*.  trans-66136.3166.6-65.6170.3000109.2P228L226-P228 WeakPolarHBondContact O-CD 3.3Å
227N89.7Confident89.4Confident15 Ų1570.5 Ų70.58%0.0839%0.392CS..  trans-68.6111.2172.3171.917.5000108.9R210 G211 M212 F222 F229 T230R210-N227 PolarHBondContact O-ND2 3.01Å; G211-N227 PolarHBondContact O-ND2 2.99Å; M212-N227 WeakPolarHBondContact CG-ND2 3.41Å; F222-N227 HydrophobicContact CD2-CB 4.12Å; F222-N227 HydrophobicContact CE2-CB 4.4Å; F222-N227 WeakPolarHBondContact CE2-OD1 3.47Å; F222-N227 HydrophobicContact CG-CB 4.44Å; N227-F229 PolarHBondContact O-N 3.4Å; N227-F229 VanDerWaalsContact O-N 3.09Å; N227-F229 WeakPolarHBondContact OD1-CB 3.36Å; N227-F229 WeakPolarHBondContact OD1-CD2 3.43Å; N227-F229 PolarHBondContact OD1-N 3.31Å; N227-T230 HydrophobicContact CB-CG2 4.46Å; N227-T230 WeakPolarHBondContact O-CG2 3.23Å; N227-T230 PolarHBondContact O-N 2.92Å; N227-T230 VanDerWaalsContact O-N 3.13Å
228P91.1Very high89.5Confident10 Ų1077.4 Ų77.47%0.06542%0.416CS..THydrogen-bonded Turntrans-67.3-13.5-177.929.3-35.4000113.2I93 N94 V96 F222 L226I93-P228 HydrophobicContact CB-CB 4.36Å; I93-P228 HydrophobicContact CG2-CB 4.15Å; I93-P228 HydrophobicContact CG2-CG 4.49Å; I93-P228 VanDerWaalsContact O-CB 3.23Å; I93-P228 WeakPolarHBondContact O-CB 3.46Å; N94-P228 HydrophobicContact CB-CB 4.16Å; N94-P228 PolarHBondContact ND2-O 3.45Å; V96-P228 HydrophobicContact CB-CB 3.89Å; V96-P228 HydrophobicContact CB-CG 3.95Å; V96-P228 HydrophobicContact CG1-CG 4.18Å; V96-P228 HydrophobicContact CG2-CB 3.88Å; V96-P228 HydrophobicContact CG2-CG 4.22Å; F222-P228 HydrophobicContact CE1-CG 4.16Å; L226-P228 WeakPolarHBondContact O-CD 3.3Å
229F91.2Very high89.6Confident31 Ų3178.5 Ų78.514%0.13641%0.412CS..THydrogen-bonded Turntrans-92.8-2.3178.4-53.3-67.1000114I93 P112 R113 F222 N227I93-F229 HydrophobicContact CD1-CE1 4.22Å; I93-F229 HydrophobicContact CD1-CZ 3.78Å; I93-F229 HydrophobicContact CG2-CD1 4.48Å; I93-F229 HydrophobicContact CG2-CE1 3.81Å; I93-F229 HydrophobicContact CG2-CZ 4.21Å; P112-F229 HydrophobicContact CB-CZ 4.08Å; R113-F229 HydrophobicContact CG-CD2 4.08Å; R113-F229 HydrophobicContact CG-CE1 4.03Å; R113-F229 HydrophobicContact CG-CE2 3.56Å; R113-F229 HydrophobicContact CG-CZ 3.54Å; F222-F229 AromaticContact CZ-CD2 3.91Å; F222-F229 HydrophobicContact CZ-CD2 3.91Å; F222-F229 AromaticContact CZ-CE2 3.94Å; F222-F229 HydrophobicContact CZ-CE2 3.94Å; N227-F229 PolarHBondContact O-N 3.4Å; N227-F229 VanDerWaalsContact O-N 3.09Å; N227-F229 WeakPolarHBondContact OD1-CB 3.36Å; N227-F229 WeakPolarHBondContact OD1-CD2 3.43Å; N227-F229 PolarHBondContact OD1-N 3.31Å
230T92.9Very high89.8Confident60 Ų6077.3 Ų77.337%0.36840%0.4SS..  trans-82.6133.4174.9-159.20000110.9R210 N227 N236R210-T230 PolarHBondContact O-OG1 2.77Å; N227-T230 HydrophobicContact CB-CG2 4.46Å; N227-T230 WeakPolarHBondContact O-CG2 3.23Å; N227-T230 PolarHBondContact O-N 2.92Å; N227-T230 VanDerWaalsContact O-N 3.13Å; T230-N236 PolarHBondContact OG1-ND2 2.78Å
231L92.3Very high90.1Very high80 Ų8077.2 Ų77.242%0.41940%0.403SS..  trans-11514.2176.4-56.7176.6000111.4L235 N236L231-L235 HydrophobicContact CB-CB 3.94Å; L231-L235 HydrophobicContact CB-CD2 3.79Å; L231-L235 HydrophobicContact CB-CG 3.68Å; L231-L235 HydrophobicContact CD1-CD2 4.34Å; L231-L235 HydrophobicContact CD1-CG 4.05Å; L231-L235 WeakPolarHBondContact O-CB 3.19Å; L231-N236 PolarHBondContact N-OD1 2.95Å
232G92.3Very high90.6Very high39 Ų3977.8 Ų77.840%0.40242%0.416SS..  trans83.9153.1-167.200000112.4L234 L235 N236G232-L234 PolarHBondContact O-N 2.86Å; G232-L235 PolarHBondContact O-N 3.03Å; G232-L235 VanDerWaalsContact O-N 3.14Å; G232-N236 VanDerWaalsContact O-CG 3.25Å; G232-N236 PolarHBondContact O-N 3.46Å; G232-N236 PolarHBondContact O-ND2 3.06Å
233C94.7Very high90.9Very high64 Ų6478.5 Ų78.543%0.43242%0.42SS..Hα-helixtrans-50.9-58.3-165.7-1760000113.9L235 N236 W237C233-L235 VanDerWaalsContact C-N 3.28Å; C233-L235 PolarHBondContact O-N 2.8Å; C233-N236 WeakPolarHBondContact O-CB 3.2Å; C233-N236 PolarHBondContact O-N 3.45Å; C233-W237 PolarHBondContact O-N 3.25Å; C233-W237 VanDerWaalsContact SG-CD1 3.58Å
234L95.7Very high91.5Very high151 Ų15174.7 Ų74.779%0.79142%0.419SS*.Hα-helixtrans-61.6-33.8-177.3-64.3176.9000113.3G232 R238G232-L234 PolarHBondContact O-N 2.86Å; L234-R238 WeakPolarHBondContact O-CB 3.43Å; L234-R238 PolarHBondContact O-N 3.27Å
235L96.3Very high91.9Very high78 Ų7874 Ų7441%0.40839%0.39SS..Hα-helixtrans-80.8-30.7179.9-17149.5000111.7L231 G232 C233 R238 R239L231-L235 HydrophobicContact CB-CB 3.94Å; L231-L235 HydrophobicContact CB-CD2 3.79Å; L231-L235 HydrophobicContact CB-CG 3.68Å; L231-L235 HydrophobicContact CD1-CD2 4.34Å; L231-L235 HydrophobicContact CD1-CG 4.05Å; L231-L235 WeakPolarHBondContact O-CB 3.19Å; G232-L235 PolarHBondContact O-N 3.03Å; G232-L235 VanDerWaalsContact O-N 3.14Å; C233-L235 VanDerWaalsContact C-N 3.28Å; C233-L235 PolarHBondContact O-N 2.8Å; L235-R238 HydrophobicContact CD1-CB 4.38Å; L235-R239 WeakPolarHBondContact O-CB 3.46Å; L235-R239 PolarHBondContact O-N 3.4Å
236N97Very high91.9Very high6 Ų673.9 Ų73.93%0.03239%0.386CS..Hα-helixtrans-61.4-45.1166.4-65.7-26.8000111.3I208 S209 G211 T230 L231 G232 C233 R239 F240I208-N236 WeakPolarHBondContact O-CB 3.24Å; S209-N236 PolarHBondContact O-ND2 3.02Å; G211-N236 PolarHBondContact N-ND2 2.98Å; T230-N236 PolarHBondContact OG1-ND2 2.78Å; L231-N236 PolarHBondContact N-OD1 2.95Å; G232-N236 VanDerWaalsContact O-CG 3.25Å; G232-N236 PolarHBondContact O-N 3.46Å; G232-N236 PolarHBondContact O-ND2 3.06Å; C233-N236 WeakPolarHBondContact O-CB 3.2Å; C233-N236 PolarHBondContact O-N 3.45Å; N236-R239 PolarHBondContact O-N 3.31Å; N236-F240 WeakPolarHBondContact O-CB 3.47Å; N236-F240 PolarHBondContact O-N 2.89Å
237W97.1Very high91.8Very high60 Ų6071.9 Ų71.923%0.22738%0.382CS..Hα-helixtrans-62.3-48.9174.8-82105.6000112.4F147 V205 I208 S209 C233 R239 F240 C241F147-W237 AromaticContact CE1-CH2 3.94Å; F147-W237 HydrophobicContact CE1-CH2 3.94Å; F147-W237 AromaticContact CE1-CZ3 3.58Å; F147-W237 HydrophobicContact CE1-CZ3 3.58Å; F147-W237 HydrophobicContact CE2-CH2 4.23Å; F147-W237 AromaticContact CZ-CH2 3.48Å; F147-W237 HydrophobicContact CZ-CH2 3.48Å; F147-W237 VanDerWaalsContact CZ-CH2 3.48Å; F147-W237 AromaticContact CZ-CZ3 3.65Å; F147-W237 HydrophobicContact CZ-CZ3 3.65Å; V205-W237 HydrophobicContact CB-CH2 4.4Å; V205-W237 HydrophobicContact CB-CZ2 4.27Å; V205-W237 HydrophobicContact CG1-CZ2 4.04Å; V205-W237 HydrophobicContact CG2-CH2 4.07Å; V205-W237 HydrophobicContact CG2-CZ2 4.36Å; V205-W237 WeakPolarHBondContact O-CZ2 3.44Å; I208-W237 HydrophobicContact CB-CH2 3.94Å; I208-W237 HydrophobicContact CB-CZ2 3.95Å; I208-W237 HydrophobicContact CB-CZ3 4.24Å; I208-W237 HydrophobicContact CD1-CH2 3.83Å; I208-W237 HydrophobicContact CD1-CZ3 3.89Å; I208-W237 HydrophobicContact CG2-CD2 3.58Å; I208-W237 HydrophobicContact CG2-CE3 3.58Å; I208-W237 HydrophobicContact CG2-CG 4.18Å; I208-W237 HydrophobicContact CG2-CH2 3.89Å; I208-W237 HydrophobicContact CG2-CZ2 3.91Å; I208-W237 HydrophobicContact CG2-CZ3 3.74Å; S209-W237 PolarHBondContact OG-NE1 3.45Å; C233-W237 PolarHBondContact O-N 3.25Å; C233-W237 VanDerWaalsContact SG-CD1 3.58Å; W237-R239 VanDerWaalsContact C-N 3.29Å; W237-R239 PolarHBondContact O-N 3.12Å; W237-F240 PolarHBondContact O-N 3.13Å; W237-C241 WeakPolarHBondContact O-CB 3.46Å; W237-C241 PolarHBondContact O-N 3.05Å
238R96.4Very high91.4Very high182 Ų18276.7 Ų76.769%0.68740%0.399SS*.Hα-helixtrans-56.5-43.7174.8180-179.5173.2-167.9-2.8111.2L234 L235 C242L234-R238 WeakPolarHBondContact O-CB 3.43Å; L234-R238 PolarHBondContact O-N 3.27Å; L235-R238 HydrophobicContact CD1-CB 4.38Å; R238-C242 WeakPolarHBondContact O-CA 3.47Å; R238-C242 WeakPolarHBondContact O-CB 3.35Å; R238-C242 PolarHBondContact O-N 2.66Å
239R94.5Very high90.8Very high96 Ų9680 Ų8036%0.36241%0.41SS..Hα-helixtrans-62.6-53176.2-176.4-179.2-177.4152.516.8111.3L235 N236 W237 C241 C242 E243L235-R239 WeakPolarHBondContact O-CB 3.46Å; L235-R239 PolarHBondContact O-N 3.4Å; N236-R239 PolarHBondContact O-N 3.31Å; W237-R239 VanDerWaalsContact C-N 3.29Å; W237-R239 PolarHBondContact O-N 3.12Å; R239-C241 VanDerWaalsContact C-N 3.34Å; R239-C241 PolarHBondContact O-N 3.23Å; R239-C242 PolarHBondContact O-N 3.44Å; R239-E243 HydrophobicContact CG-CB 4.32Å; R239-E243 WeakPolarHBondContact CG-OE2 3.32Å; R239-E243 IonicContact CZ-OE2 2.74Å; R239-E243 IonicContact NE-OE2 3.59Å; R239-E243 PolarHBondContact NE-OE2 3.35Å; R239-E243 IonicContact NH2-OE2 2.66Å; R239-E243 PolarHBondContact NH2-OE2 3.26Å; R239-E243 WeakPolarHBondContact O-CA 3.13Å; R239-E243 WeakPolarHBondContact O-CB 3.35Å; R239-E243 PolarHBondContact O-N 3.44Å
240F95.1Very high89.3Confident58 Ų5888.9 Ų88.925%0.25444%0.444SS..Hα-helixtrans-60.2-41.9-177-177.1-92.4000113A143 R144 F147 I208 N236 W237A143-F240 HydrophobicContact CB-CE2 4.15Å; A143-F240 HydrophobicContact CB-CZ 4.39Å; R144-F240 HydrophobicContact CB-CE1 4.45Å; F147-F240 HydrophobicContact CB-CE1 3.66Å; F147-F240 HydrophobicContact CB-CZ 3.71Å; F147-F240 AromaticContact CD1-CE1 3.78Å; F147-F240 HydrophobicContact CD1-CE1 3.78Å; F147-F240 AromaticContact CG-CE1 3.8Å; F147-F240 HydrophobicContact CG-CE1 3.8Å; F147-F240 HydrophobicContact CG-CZ 4.19Å; I208-F240 HydrophobicContact CD1-CD1 3.73Å; I208-F240 HydrophobicContact CD1-CD2 4.28Å; I208-F240 HydrophobicContact CD1-CE1 3.54Å; I208-F240 HydrophobicContact CD1-CE2 4.11Å; I208-F240 HydrophobicContact CD1-CG 4.1Å; I208-F240 HydrophobicContact CD1-CZ 3.74Å; I208-F240 HydrophobicContact CG1-CD1 4.18Å; I208-F240 HydrophobicContact CG1-CD2 3.96Å; I208-F240 HydrophobicContact CG1-CE1 4.28Å; I208-F240 HydrophobicContact CG1-CE2 4.05Å; I208-F240 HydrophobicContact CG1-CG 4.02Å; I208-F240 HydrophobicContact CG1-CZ 4.21Å; I208-F240 HydrophobicContact CG2-CB 3.77Å; I208-F240 HydrophobicContact CG2-CD1 4.24Å; I208-F240 HydrophobicContact CG2-CD2 4.5Å; I208-F240 HydrophobicContact CG2-CG 3.92Å; N236-F240 WeakPolarHBondContact O-CB 3.47Å; N236-F240 PolarHBondContact O-N 2.89Å; W237-F240 PolarHBondContact O-N 3.13Å
241C93.2Very high87.5Confident49 Ų4987.7 Ų87.733%0.33144%0.436SS..Hα-helixtrans-77.5-35.3179.8-670000113.3W237 R239W237-C241 WeakPolarHBondContact O-CB 3.46Å; W237-C241 PolarHBondContact O-N 3.05Å; R239-C241 VanDerWaalsContact C-N 3.34Å; R239-C241 PolarHBondContact O-N 3.23Å
242C92.8Very high85.6Confident92 Ų9291.7 Ų91.762%0.62245%0.452SS*.Hα-helixtrans-119.50.3-166.7-52.10000115.8R238 R239R238-C242 WeakPolarHBondContact O-CA 3.47Å; R238-C242 WeakPolarHBondContact O-CB 3.35Å; R238-C242 PolarHBondContact O-N 2.66Å; R239-C242 PolarHBondContact O-N 3.44Å
243E88.9Confident83.7Confident50 Ų5093.3 Ų93.323%0.23445%0.454CS..SBendtrans-58.8131.3174.9-174172.4142.700109.8K140 R239 Q245 F246K140-E243 WeakPolarHBondContact CE-OE1 3.49Å; K140-E243 IonicContact NZ-OE1 2.66Å; K140-E243 PolarHBondContact NZ-OE1 3.35Å; R239-E243 HydrophobicContact CG-CB 4.32Å; R239-E243 WeakPolarHBondContact CG-OE2 3.32Å; R239-E243 IonicContact CZ-OE2 2.74Å; R239-E243 IonicContact NE-OE2 3.59Å; R239-E243 PolarHBondContact NE-OE2 3.35Å; R239-E243 IonicContact NH2-OE2 2.66Å; R239-E243 PolarHBondContact NH2-OE2 3.26Å; R239-E243 WeakPolarHBondContact O-CA 3.13Å; R239-E243 WeakPolarHBondContact O-CB 3.35Å; R239-E243 PolarHBondContact O-N 3.44Å; E243-Q245 PolarHBondContact O-N 2.89Å; E243-F246 HydrophobicContact CG-CE2 4.39Å; E243-F246 WeakPolarHBondContact OE1-CE2 3.36Å
244P89.2Confident81.5Confident102 Ų10293.2 Ų93.266%0.66245%0.449SS*.  trans-55132.2-178.8-29.436.4000112.6F246P244-F246 WeakPolarHBondContact O-CD2 3.45Å; P244-F246 WeakPolarHBondContact O-CE2 3.33Å; P244-F246 PolarHBondContact O-N 3.11Å
245Q84.7Confident79.2Confident76 Ų7689.5 Ų89.536%0.35544%0.436SS..  trans-77.297.4178.7-167.8-153.1-8400109.7M64 E243M64-Q245 HydrophobicContact CE-CG 4.12Å; E243-Q245 PolarHBondContact O-N 2.89Å
246F80.5Confident76.9Confident100 Ų10088.9 Ų88.944%0.43944%0.435SS..  trans-41.6151.2175.6-69.4-97000113.1K140 R141 E243 P244K140-F246 HydrophobicContact CD-CD2 4.42Å; K140-F246 VanDerWaalsContact CE-CE2 3.5Å; R141-F246 PolarHBondContact NH1-O 2.93Å; E243-F246 HydrophobicContact CG-CE2 4.39Å; E243-F246 WeakPolarHBondContact OE1-CE2 3.36Å; P244-F246 WeakPolarHBondContact O-CD2 3.45Å; P244-F246 WeakPolarHBondContact O-CE2 3.33Å; P244-F246 PolarHBondContact O-N 3.11Å
247P82.5Confident74.6Confident110 Ų11093 Ų9371%0.71445%0.453SS*.PPolyproline II helixtrans-60.2163.2173.126.9-35.2000111.3R141 R249R141-P247 PolarHBondContact NH1-O 2.81Å; R141-P247 VanDerWaalsContact NH1-O 3.07Å; P247-R249 PolarHBondContact O-N 3.27Å
248R82Confident72.4Confident116 Ų11693.1 Ų93.144%0.43846%0.463SS..PPolyproline II helixtrans-70.2128.1169.7-164.8-176.8-168.9-169.11.4107.6M1 D65 Y250M1-R248 PolarHBondContact SD-NH2 3.42Å; D65-R248 IonicContact OD2-CZ 3.27Å; D65-R248 IonicContact OD2-NE 3.23Å; D65-R248 PolarHBondContact OD2-NE 3.37Å; D65-R248 IonicContact OD2-NH2 2.69Å; D65-R248 PolarHBondContact OD2-NH2 3.22Å; R248-Y250 PolarHBondContact O-N 2.84Å
249R78.2Confident70.1Confident80 Ų8093 Ų9330%0.30246%0.463SS..PPolyproline II helixtrans-63.3125.1166.6-66.4-175.3179.699.96.6107.2F69 D125 P247 L251F69-R249 VanDerWaalsContact CZ-CZ 3.49Å; D125-R249 IonicContact OD2-CZ 3.39Å; D125-R249 VanDerWaalsContact OD2-CZ 3.23Å; D125-R249 IonicContact OD2-NH1 3.43Å; D125-R249 PolarHBondContact OD2-NH1 3.3Å; D125-R249 IonicContact OD2-NH2 2.68Å; D125-R249 PolarHBondContact OD2-NH2 2.86Å; P247-R249 PolarHBondContact O-N 3.27Å; R249-L251 PolarHBondContact O-N 3.47Å
250Y58.8Low68Low218 Ų21896.3 Ų96.386%0.85548%0.475SS*.  trans-63.2113.5178.6-72.7-83000108.9R248 E252R248-Y250 PolarHBondContact O-N 2.84Å; Y250-E252 VanDerWaalsContact C-N 3.34Å; Y250-E252 PolarHBondContact O-N 2.71Å; Y250-E252 VanDerWaalsContact O-N 3.08Å
251L56.6Low66.1Low35 Ų3596.2 Ų96.218%0.18348%0.477CS..  trans-78.489.3173.3-68.9177.7000107.4M1 P70 R249 V253M1-L251 HydrophobicContact CE-CD1 4.06Å; M1-L251 HydrophobicContact SD-CD1 4.35Å; P70-L251 HydrophobicContact CB-CD2 4.49Å; R249-L251 PolarHBondContact O-N 3.47Å; L251-V253 HydrophobicContact CB-CG2 4.04Å; L251-V253 PolarHBondContact O-N 3.46Å
252E51.9Low64.2Low163 Ų163101.1 Ų101.176%0.76249%0.492SS*.  trans-70.764.6173.6-163.6178.9168.900110.4Y250 D254Y250-E252 VanDerWaalsContact C-N 3.34Å; Y250-E252 PolarHBondContact O-N 2.71Å; Y250-E252 VanDerWaalsContact O-N 3.08Å; E252-D254 PolarHBondContact O-N 3.21Å
253V52.2Low62.1Low74 Ų74100.7 Ų100.745%0.44849%0.49SS..  trans-91.179.3179.6-178.90000108.2L251 S255L251-V253 HydrophobicContact CB-CG2 4.04Å; L251-V253 PolarHBondContact O-N 3.46Å; V253-S255 PolarHBondContact O-N 2.95Å
254D48.2Very low60.6Low61 Ų61105 Ų10533%0.32651%0.508SS..  trans-59.8107.2153.8179.4-17.2000107.6E252 T256 K257 S258E252-D254 PolarHBondContact O-N 3.21Å; D254-T256 PolarHBondContact O-N 2.66Å; D254-T256 VanDerWaalsContact O-N 3.13Å; D254-T256 WeakPolarHBondContact OD1-CA 3.38Å; D254-T256 VanDerWaalsContact OD1-CB 3.29Å; D254-T256 WeakPolarHBondContact OD1-CB 3.27Å; D254-T256 WeakPolarHBondContact OD1-CG2 3.43Å; D254-T256 PolarHBondContact OD1-N 3.22Å; D254-T256 PolarHBondContact OD1-OG1 2.96Å; D254-T256 PolarHBondContact OD2-OG1 3.18Å; D254-K257 HydrophobicContact CB-CB 4.16Å; D254-K257 HydrophobicContact CB-CD 3.93Å; D254-K257 HydrophobicContact CB-CG 4.02Å; D254-K257 PolarHBondContact O-N 3.09Å; D254-K257 VanDerWaalsContact O-N 3.12Å; D254-K257 PolarHBondContact OD1-N 3.2Å; D254-K257 VanDerWaalsContact OD2-CE 3.24Å; D254-K257 WeakPolarHBondContact OD2-CE 3.44Å; D254-K257 WeakPolarHBondContact OD2-CG 3.24Å; D254-S258 PolarHBondContact O-N 3.11Å
255S48.1Very low59.1Low74 Ų74104.3 Ų104.352%0.51750%0.495SS..Hα-helixtrans-64.6-16.3-176.175.80000113.2V253V253-S255 PolarHBondContact O-N 2.95Å
256T48.1Very low57.9Low64 Ų64105.4 Ų105.439%0.39350%0.502SS..Hα-helixtrans-78.4-44.1173.679.90000110.8D254 S258 R259 R260D254-T256 PolarHBondContact O-N 2.66Å; D254-T256 VanDerWaalsContact O-N 3.13Å; D254-T256 WeakPolarHBondContact OD1-CA 3.38Å; D254-T256 VanDerWaalsContact OD1-CB 3.29Å; D254-T256 WeakPolarHBondContact OD1-CB 3.27Å; D254-T256 WeakPolarHBondContact OD1-CG2 3.43Å; D254-T256 PolarHBondContact OD1-N 3.22Å; D254-T256 PolarHBondContact OD1-OG1 2.96Å; D254-T256 PolarHBondContact OD2-OG1 3.18Å; T256-S258 PolarHBondContact O-N 3.21Å; T256-R259 PolarHBondContact O-N 3.18Å; T256-R259 VanDerWaalsContact O-N 3.17Å; T256-R260 PolarHBondContact O-N 2.99Å
257K48.1Very low56.6Low92 Ų92110 Ų11040%0.452%0.517SS..Hα-helixtrans-63.1-40178.5-69.9179.4-169.6173.30112.6D254 R259 R260 I261D254-K257 HydrophobicContact CB-CB 4.16Å; D254-K257 HydrophobicContact CB-CD 3.93Å; D254-K257 HydrophobicContact CB-CG 4.02Å; D254-K257 PolarHBondContact O-N 3.09Å; D254-K257 VanDerWaalsContact O-N 3.12Å; D254-K257 PolarHBondContact OD1-N 3.2Å; D254-K257 VanDerWaalsContact OD2-CE 3.24Å; D254-K257 WeakPolarHBondContact OD2-CE 3.44Å; D254-K257 WeakPolarHBondContact OD2-CG 3.24Å; K257-R259 PolarHBondContact O-N 3.32Å; K257-R260 WeakPolarHBondContact O-CA 3.4Å; K257-R260 WeakPolarHBondContact O-CB 3.49Å; K257-R260 PolarHBondContact O-N 3.03Å; K257-I261 WeakPolarHBondContact O-CG1 3.29Å; K257-I261 PolarHBondContact O-N 2.69Å
258S50.2Low55.6Low63 Ų63110 Ų11044%0.44151%0.506SS..Hα-helixtrans-57.4-35.7175.7-173.60000112.8D254 T256 K262D254-S258 PolarHBondContact O-N 3.11Å; T256-S258 PolarHBondContact O-N 3.21Å; S258-K262 PolarHBondContact O-N 2.95Å
259R48.5Very low54.5Low180 Ų180107.3 Ų107.368%0.67950%0.504SS*.Hα-helixtrans-72.7-42.2171.6-75-172.4-106.3-162.4-3112.4T256 K257 I261 K262 C263T256-R259 PolarHBondContact O-N 3.18Å; T256-R259 VanDerWaalsContact O-N 3.17Å; K257-R259 PolarHBondContact O-N 3.32Å; R259-I261 VanDerWaalsContact C-N 3.35Å; R259-I261 PolarHBondContact O-N 3.08Å; R259-K262 PolarHBondContact O-N 3.01Å; R259-C263 PolarHBondContact O-N 2.68Å; R259-C263 PolarHBondContact O-SG 3.23Å
260R50.1Low53.6Low165 Ų165112.5 Ų112.562%0.62352%0.524SS*.Hα-helixtrans-56.6-45.5175.1-64.5-176.5-164.5-163.23.6112T256 K257 K262 C263 F264T256-R260 PolarHBondContact O-N 2.99Å; K257-R260 WeakPolarHBondContact O-CA 3.4Å; K257-R260 WeakPolarHBondContact O-CB 3.49Å; K257-R260 PolarHBondContact O-N 3.03Å; R260-K262 VanDerWaalsContact C-N 3.34Å; R260-K262 PolarHBondContact O-N 3Å; R260-C263 CarbonylContact O-C 3.52Å; R260-C263 PolarHBondContact O-N 2.88Å; R260-C263 VanDerWaalsContact O-N 3.13Å; R260-F264 WeakPolarHBondContact O-CB 3.47Å; R260-F264 PolarHBondContact O-N 2.83Å
261I55.2Low53.9Low56 Ų56108.4 Ų108.429%0.28751%0.511SS..Hα-helixtrans-62.3-39.2179.9-65.7165.7000111.6K257 R259 F264 K265K257-I261 WeakPolarHBondContact O-CG1 3.29Å; K257-I261 PolarHBondContact O-N 2.69Å; R259-I261 VanDerWaalsContact C-N 3.35Å; R259-I261 PolarHBondContact O-N 3.08Å; I261-F264 PolarHBondContact O-N 3.09Å; I261-K265 PolarHBondContact O-N 3Å
262K54.5Low54.1Low152 Ų152110.6 Ų110.666%0.66153%0.529SS*.Hα-helixtrans-60.8-50.1171-87.2-166.7171.6-168.50111.5S258 R259 R260 F264 K265 L266S258-K262 PolarHBondContact O-N 2.95Å; R259-K262 PolarHBondContact O-N 3.01Å; R260-K262 VanDerWaalsContact C-N 3.34Å; R260-K262 PolarHBondContact O-N 3Å; K262-F264 VanDerWaalsContact C-N 3.3Å; K262-F264 PolarHBondContact O-N 3.31Å; K262-K265 PolarHBondContact O-N 3.39Å; K262-L266 WeakPolarHBondContact O-CB 3.49Å; K262-L266 WeakPolarHBondContact O-CG 3.43Å; K262-L266 PolarHBondContact O-N 3.01Å
263C48.4Very low54.8Low84 Ų84110.8 Ų110.857%0.56853%0.527SS*.Hα-helixtrans-61.8-36.7178.4-67.20000112.7R259 R260 L266 R267R259-C263 PolarHBondContact O-N 2.68Å; R259-C263 PolarHBondContact O-SG 3.23Å; R260-C263 CarbonylContact O-C 3.52Å; R260-C263 PolarHBondContact O-N 2.88Å; R260-C263 VanDerWaalsContact O-N 3.13Å; C263-L266 PolarHBondContact O-N 2.96Å; C263-R267 WeakPolarHBondContact O-CB 3.43Å; C263-R267 PolarHBondContact O-N 3.24Å
264F57.5Low55.4Low139 Ų139112.6 Ų112.661%0.6153%0.529SS*.Hα-helixtrans-69.4-45.2178.8-165.2-94.9000112.1R260 I261 K262 L266 R267 K268R260-F264 WeakPolarHBondContact O-CB 3.47Å; R260-F264 PolarHBondContact O-N 2.83Å; I261-F264 PolarHBondContact O-N 3.09Å; K262-F264 VanDerWaalsContact C-N 3.3Å; K262-F264 PolarHBondContact O-N 3.31Å; F264-L266 VanDerWaalsContact C-N 3.33Å; F264-L266 PolarHBondContact O-N 3.47Å; F264-R267 PolarHBondContact O-N 3.13Å; F264-K268 HydrophobicContact CE1-CD 4.48Å; F264-K268 WeakPolarHBondContact O-CB 3.4Å; F264-K268 PolarHBondContact O-N 2.98Å
265K58.2Low55.9Low89 Ų89112.9 Ų112.939%0.38753%0.531SS..Hα-helixtrans-61.2-40.8173-77-173.3171.4-178.70111.9S104 I261 K262 S269S104-K265 PolarHBondContact O-NZ 3.09Å; I261-K265 PolarHBondContact O-N 3Å; K262-K265 PolarHBondContact O-N 3.39Å; K265-S269 WeakPolarHBondContact O-CB 3.4Å; K265-S269 PolarHBondContact O-N 2.86Å; K265-S269 PolarHBondContact O-OG 3.09Å
266L57.8Low56.6Low99 Ų99115.8 Ų115.852%0.51854%0.536SS..Hα-helixtrans-59.6-47.6172.2-74.6166.9000111.6K262 C263 F264 S269 R270K262-L266 WeakPolarHBondContact O-CB 3.49Å; K262-L266 WeakPolarHBondContact O-CG 3.43Å; K262-L266 PolarHBondContact O-N 3.01Å; C263-L266 PolarHBondContact O-N 2.96Å; F264-L266 VanDerWaalsContact C-N 3.33Å; F264-L266 PolarHBondContact O-N 3.47Å; L266-S269 PolarHBondContact O-N 2.91Å; L266-S269 PolarHBondContact O-OG 2.75Å; L266-R270 PolarHBondContact O-N 2.78Å
267R53.5Low57.1Low195 Ų195119.2 Ų119.274%0.73655%0.546SS*.Hα-helixtrans-62.9-44.7178.7-165.4172.5-176.6165.30.9112.4C263 F264 S269 R270 F271C263-R267 WeakPolarHBondContact O-CB 3.43Å; C263-R267 PolarHBondContact O-N 3.24Å; F264-R267 PolarHBondContact O-N 3.13Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-S269 PolarHBondContact O-N 3.21Å; R267-R270 PolarHBondContact O-N 3.17Å; R267-F271 WeakPolarHBondContact O-CB 3.24Å; R267-F271 PolarHBondContact O-N 3.48Å
268K62.4Low57.6Low111 Ų111120 Ų12048%0.48355%0.552SS.*Hα-helixtrans-60.4-41.1175.6-164.1169.9179.8176.10111.2E81 F264 S272E81-K268 IonicContact OE1-NZ 2.77Å; E81-K268 IonicContact OE2-NZ 3.22Å; E81-K268 PolarHBondContact OE2-NZ 3.35Å; F264-K268 HydrophobicContact CE1-CD 4.48Å; F264-K268 WeakPolarHBondContact O-CB 3.4Å; F264-K268 PolarHBondContact O-N 2.98Å; K268-S272 WeakPolarHBondContact O-CB 3.34Å; K268-S272 PolarHBondContact O-N 2.95Å
269S58.6Low58.1Low59 Ų59123.5 Ų123.541%0.41357%0.565SS.*Hα-helixtrans-68.4-40.9176760000113.9K265 L266 R267 S272 K273K265-S269 WeakPolarHBondContact O-CB 3.4Å; K265-S269 PolarHBondContact O-N 2.86Å; K265-S269 PolarHBondContact O-OG 3.09Å; L266-S269 PolarHBondContact O-N 2.91Å; L266-S269 PolarHBondContact O-OG 2.75Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-S269 PolarHBondContact O-N 3.21Å; S269-S272 PolarHBondContact O-N 2.92Å; S269-K273 PolarHBondContact O-N 3.41Å
270R59.4Low58.4Low189 Ų189119.2 Ų119.271%0.71356%0.562SS**Hα-helixtrans-64.7-42.3175.2-73.3-173.7-174.9-177.42.3111.5L266 R267 K273 F274L266-R270 PolarHBondContact O-N 2.78Å; R267-R270 PolarHBondContact O-N 3.17Å; R270-K273 PolarHBondContact O-N 3.02Å; R270-F274 WeakPolarHBondContact O-CB 3.3Å; R270-F274 PolarHBondContact O-N 2.94Å
271F65.1Low58.7Low133 Ų133114.9 Ų114.958%0.58356%0.557SS**Hα-helixtrans-66.8-40178.9-162.4-102.2000112R267 F274 N275R267-F271 WeakPolarHBondContact O-CB 3.24Å; R267-F271 PolarHBondContact O-N 3.48Å; F271-F274 PolarHBondContact O-N 2.63Å; F271-N275 PolarHBondContact O-N 3.07Å
272S61.2Low58.2Low80 Ų80115.2 Ų115.256%0.55958%0.575SS**Hα-helixtrans-61.3-46.4172171.60000112.4K268 S269 F274 N275 H276K268-S272 WeakPolarHBondContact O-CB 3.34Å; K268-S272 PolarHBondContact O-N 2.95Å; S269-S272 PolarHBondContact O-N 2.92Å; S272-F274 VanDerWaalsContact C-N 3.34Å; S272-F274 PolarHBondContact O-N 2.97Å; S272-N275 PolarHBondContact O-N 3.08Å; S272-H276 PolarHBondContact O-N 2.77Å
273K65.8Low57.4Low167 Ų167111.7 Ų111.773%0.72658%0.581SS**Hα-helixtrans-62-38.9174.1-75.8-168.8173.9-168.40112.7S269 R270 H276 F277S269-K273 PolarHBondContact O-N 3.41Å; R270-K273 PolarHBondContact O-N 3.02Å; K273-H276 PolarHBondContact O-N 2.9Å; K273-F277 WeakPolarHBondContact O-CB 3.49Å; K273-F277 PolarHBondContact O-N 3.05Å
274F64.4Low57Low113 Ų113112.1 Ų112.150%0.49659%0.591SS.*Hα-helixtrans-64.8-46.6176.9-175-98.8000111.8R270 F271 S272 H276 F277 M278R270-F274 WeakPolarHBondContact O-CB 3.3Å; R270-F274 PolarHBondContact O-N 2.94Å; F271-F274 PolarHBondContact O-N 2.63Å; S272-F274 VanDerWaalsContact C-N 3.34Å; S272-F274 PolarHBondContact O-N 2.97Å; F274-H276 VanDerWaalsContact C-N 3.34Å; F274-H276 PolarHBondContact O-N 2.69Å; F274-F277 WeakPolarHBondContact O-CB 3.12Å; F274-F277 PolarHBondContact O-N 2.97Å; F274-M278 HydrophobicContact CD1-CG 3.98Å; F274-M278 HydrophobicContact CE1-CG 3.6Å; F274-M278 HydrophobicContact CE1-SD 4.12Å; F274-M278 HydrophobicContact CE2-CG 4.34Å; F274-M278 HydrophobicContact CE2-SD 4.31Å; F274-M278 HydrophobicContact CZ-CG 3.8Å; F274-M278 HydrophobicContact CZ-SD 3.75Å; F274-M278 VanDerWaalsContact O-CG 3.31Å; F274-M278 WeakPolarHBondContact O-CG 3.19Å; F274-M278 PolarHBondContact O-N 3.19Å
275N58.6Low56Low67 Ų67109 Ų10936%0.35860%0.598SS.*Hα-helixtrans-61.8-41.6176.1-73.42000111.9F271 S272 F277 M278 I279F271-N275 PolarHBondContact O-N 3.07Å; S272-N275 PolarHBondContact O-N 3.08Å; N275-F277 VanDerWaalsContact C-N 3.33Å; N275-F277 PolarHBondContact O-N 3.45Å; N275-M278 PolarHBondContact O-N 3.3Å; N275-I279 WeakPolarHBondContact O-CB 3.48Å; N275-I279 WeakPolarHBondContact O-CD1 2.88Å; N275-I279 VanDerWaalsContact O-CG1 3.26Å; N275-I279 WeakPolarHBondContact O-CG1 3.29Å; N275-I279 PolarHBondContact O-N 3.23Å
276H62.5Low55.1Low135 Ų135110.6 Ų110.663%0.62562%0.618SS**Hα-helixtrans-62.8-39174.9-167.2-59.5000112.2S272 K273 F274 S280S272-H276 PolarHBondContact O-N 2.77Å; K273-H276 PolarHBondContact O-N 2.9Å; F274-H276 VanDerWaalsContact C-N 3.34Å; F274-H276 PolarHBondContact O-N 2.69Å; H276-S280 WeakPolarHBondContact O-CB 3.45Å; H276-S280 PolarHBondContact O-N 3.46Å
277F60.2Low53.9Low135 Ų135117.7 Ų117.759%0.59264%0.637SS**Hα-helixtrans-65.7-44.6175.4-178.2-98.6000111.9K273 F274 N275 S280 S281K273-F277 WeakPolarHBondContact O-CB 3.49Å; K273-F277 PolarHBondContact O-N 3.05Å; F274-F277 WeakPolarHBondContact O-CB 3.12Å; F274-F277 PolarHBondContact O-N 2.97Å; N275-F277 VanDerWaalsContact C-N 3.33Å; N275-F277 PolarHBondContact O-N 3.45Å; F277-S280 PolarHBondContact O-N 3.12Å; F277-S281 VanDerWaalsContact O-CB 3.3Å; F277-S281 WeakPolarHBondContact O-CB 3.17Å; F277-S281 PolarHBondContact O-N 2.9Å; F277-S281 PolarHBondContact O-OG 3.34Å
278M56.6Low53Low108 Ų108111.7 Ų111.753%0.53264%0.636SS.*Hα-helixtrans-62.9-44.9177.6-67.9-68.4-73.300112F274 N275 S281 G282F274-M278 HydrophobicContact CD1-CG 3.98Å; F274-M278 HydrophobicContact CE1-CG 3.6Å; F274-M278 HydrophobicContact CE1-SD 4.12Å; F274-M278 HydrophobicContact CE2-CG 4.34Å; F274-M278 HydrophobicContact CE2-SD 4.31Å; F274-M278 HydrophobicContact CZ-CG 3.8Å; F274-M278 HydrophobicContact CZ-SD 3.75Å; F274-M278 VanDerWaalsContact O-CG 3.31Å; F274-M278 WeakPolarHBondContact O-CG 3.19Å; F274-M278 PolarHBondContact O-N 3.19Å; N275-M278 PolarHBondContact O-N 3.3Å; M278-S281 PolarHBondContact O-N 3.3Å; M278-G282 PolarHBondContact O-N 2.96Å
279I61.4Low51.8Low138 Ų138113.2 Ų113.271%0.70866%0.655SS**Hα-helixtrans-64.2-46.2177-67.7165000110.5N275 S281 G282N275-I279 WeakPolarHBondContact O-CB 3.48Å; N275-I279 WeakPolarHBondContact O-CD1 2.88Å; N275-I279 VanDerWaalsContact O-CG1 3.26Å; N275-I279 WeakPolarHBondContact O-CG1 3.29Å; N275-I279 PolarHBondContact O-N 3.23Å; I279-S281 PolarHBondContact O-N 3.49Å; I279-G282 PolarHBondContact O-N 3.02Å
280S56.1Low50.5Low89 Ų89118.2 Ų118.262%0.62268%0.677SS**Hα-helixtrans-69.8-14.4179.5-169.20000114.2H276 F277H276-S280 WeakPolarHBondContact O-CB 3.45Å; H276-S280 PolarHBondContact O-N 3.46Å; F277-S280 PolarHBondContact O-N 3.12Å
281S55Low49.3Very low74 Ų74116.9 Ų116.952%0.51768%0.684SS.*Hα-helixtrans-95.4-9.9178.5-570000113.7F277 M278 I279 G283F277-S281 VanDerWaalsContact O-CB 3.3Å; F277-S281 WeakPolarHBondContact O-CB 3.17Å; F277-S281 PolarHBondContact O-N 2.9Å; F277-S281 PolarHBondContact O-OG 3.34Å; M278-S281 PolarHBondContact O-N 3.3Å; I279-S281 PolarHBondContact O-N 3.49Å; S281-G283 VanDerWaalsContact C-N 3.29Å; S281-G283 PolarHBondContact O-N 3.36Å
282G45.9Very low47.6Very low64 Ų64114.8 Ų114.866%0.6669%0.691SS**  trans-83.95.3179.200000115.2M278 I279 A284M278-G282 PolarHBondContact O-N 2.96Å; I279-G282 PolarHBondContact O-N 3.02Å; G282-A284 PolarHBondContact O-N 2.91Å
283G35.9Very low46.2Very low77 Ų77116.7 Ų116.779%0.79470%0.699SS**  trans-87.842-165.200000117.1S281S281-G283 VanDerWaalsContact C-N 3.29Å; S281-G283 PolarHBondContact O-N 3.36Å
284A40.9Very low44.5Very low94 Ų94113.9 Ų113.978%0.77770%0.696SS**  trans-142.9128.817300000111.7G282G282-A284 PolarHBondContact O-N 2.91Å
285G35.7Very low43Very low74 Ų74114.9 Ų114.976%0.76371%0.707SS**  trans-89.4-156.9-17800000114.2
286P39.8Very low41.6Very low122 Ų122116.5 Ų116.579%0.79272%0.719SS**  cis-132.6170.118.441.9-25.9000117.3
287R32.5Very low40.1Very low248 Ų248119.5 Ų119.594%0.93673%0.726SS**  trans-7.1127.3156.2-48.8169.3-164-108-1117
288G34.9Very low38.8Very low69 Ų69116.5 Ų116.571%0.71172%0.719SS**  trans-176.7112.2162.300000113.8
289T38.2Very low37.6Very low143 Ų143120 Ų12088%0.87773%0.734SS**  trans48.9129.9160.851.20000120.3
290D30.7Very low36.4Very low164 Ų164116.7 Ų116.788%0.87772%0.723SS**  trans-65127.5172.6-44.7-94.7000112.3
291D34.9Very low35.4Very low160 Ų160116.7 Ų116.786%0.85672%0.717SS**  trans-160.4162.4149.6-123-31.9000111.1V293D291-V293 PolarHBondContact O-N 3.22Å
292A29.2Very low34.7Very low89 Ų89119.2 Ų119.274%0.73672%0.72SS**  trans-75.191.9-163.700000115.2T294A292-T294 PolarHBondContact O-N 2.92Å
293V32.2Very low34.4Very low120 Ų120122 Ų12273%0.72771%0.714SS**  trans-91.682.4163.7-173.20000110.6D291 N295D291-V293 PolarHBondContact O-N 3.22Å; V293-N295 PolarHBondContact O-N 2.96Å
294T30Very low34.6Very low109 Ų109124.4 Ų124.467%0.66971%0.708SS**  trans-63104.9163.2-52.70000108.3A292 T296A292-T294 PolarHBondContact O-N 2.92Å; T294-T296 HydrophobicContact CG2-CG2 3.88Å; T294-T296 PolarHBondContact O-N 3.32Å
295N31.9Very low34.4Very low134 Ų134125.3 Ų125.372%0.71770%0.699SS**  trans-72.770.8173.3-93.1-33000110.9V293 Y297V293-N295 PolarHBondContact O-N 2.96Å; N295-Y297 VanDerWaalsContact C-N 3.27Å; N295-Y297 PolarHBondContact O-N 3.49Å
296T30.4Very low34.8Very low100 Ų100125.2 Ų125.261%0.61368%0.68SS**  trans-63.889.2163.4480000108.9T294 T298T294-T296 HydrophobicContact CG2-CG2 3.88Å; T294-T296 PolarHBondContact O-N 3.32Å; T296-T298 PolarHBondContact O-N 3.37Å
297Y29.3Very low34.7Very low198 Ų198123 Ų12378%0.77666%0.662SS**  trans-67.677.9160.9-109.1-91.3000108.4N295N295-Y297 VanDerWaalsContact C-N 3.27Å; N295-Y297 PolarHBondContact O-N 3.49Å
298T33.5Very low35Very low73 Ų73117.8 Ų117.845%0.44865%0.648SS.*  trans-65.6150.3-177.655.30000111.3T296 S300 N301T296-T298 PolarHBondContact O-N 3.37Å; T298-S300 PolarHBondContact O-N 2.91Å; T298-S300 PolarHBondContact OG1-OG 3.14Å; T298-N301 PolarHBondContact O-N 2.87Å
299E31.7Very low35.4Very low180 Ų180118.9 Ų118.984%0.84164%0.636SS**THydrogen-bonded Turntrans-58.1-16.6-179.7-64.1176.199.400113.8N301 H302 K303E299-N301 PolarHBondContact O-N 3.26Å; E299-H302 WeakPolarHBondContact O-CB 3.48Å; E299-H302 PolarHBondContact O-N 2.97Å; E299-K303 PolarHBondContact O-N 2.79Å
300S35.5Very low35.4Very low69 Ų69117.4 Ų117.448%0.48362%0.619SS.*Hα-helixtrans-49.1-39.4172.967.10000113.4T298 H302 K303T298-S300 PolarHBondContact O-N 2.91Å; T298-S300 PolarHBondContact OG1-OG 3.14Å; S300-H302 VanDerWaalsContact C-N 3.32Å; S300-H302 PolarHBondContact O-N 3.2Å; S300-K303 PolarHBondContact O-N 3.35Å
301N36.5Very low35.7Very low90 Ų90112.6 Ų112.648%0.48160%0.599SS.*Hα-helixtrans-73.8-22.1-179.7-73.6-27.8000113.3T298 E299 K303T298-N301 PolarHBondContact O-N 2.87Å; E299-N301 PolarHBondContact O-N 3.26Å; N301-K303 VanDerWaalsContact C-N 3.35Å
302H39.3Very low36Very low127 Ų127109.8 Ų109.859%0.58859%0.587SS**Hα-helixtrans-74.3-30.8174.6-152.5-114.6000111.2E299 S300 I306E299-H302 WeakPolarHBondContact O-CB 3.48Å; E299-H302 PolarHBondContact O-N 2.97Å; S300-H302 VanDerWaalsContact C-N 3.32Å; S300-H302 PolarHBondContact O-N 3.2Å; H302-I306 WeakPolarHBondContact ND1-CD1 3.11Å; H302-I306 WeakPolarHBondContact O-CG1 3.19Å; H302-I306 PolarHBondContact O-N 2.99Å; H302-I306 VanDerWaalsContact O-N 3.12Å
303K40Very low36.4Very low123 Ų123110 Ų11054%0.53558%0.579SS.*Hα-helixtrans-71-44.2-178.9-156.3-171.4179.8-53.80112.9E299 S300 N301 L305 I306 D307E299-K303 PolarHBondContact O-N 2.79Å; S300-K303 PolarHBondContact O-N 3.35Å; N301-K303 VanDerWaalsContact C-N 3.35Å; K303-L305 VanDerWaalsContact C-N 3.27Å; K303-L305 PolarHBondContact O-N 3.21Å; K303-I306 PolarHBondContact O-N 2.85Å; K303-D307 IonicContact NZ-OD1 2.78Å; K303-D307 PolarHBondContact NZ-OD1 3.37Å; K303-D307 IonicContact NZ-OD2 2.72Å; K303-D307 PolarHBondContact NZ-OD2 2.84Å; K303-D307 WeakPolarHBondContact O-CB 3.41Å; K303-D307 VanDerWaalsContact O-CG 3.27Å; K303-D307 PolarHBondContact O-N 3.22Å
304L40.1Very low36.6Very low126 Ų126109 Ų10966%0.6657%0.569SS**Hα-helixtrans-62.4-33.1176.1-85.6165.6000112.9H308L304-H308 PolarHBondContact O-N 2.92Å
305L37.2Very low36.9Very low113 Ų113109.8 Ų109.859%0.59257%0.569SS**Hα-helixtrans-72.4-38.5176-160.374.5000112.1K303 I309K303-L305 VanDerWaalsContact C-N 3.27Å; K303-L305 PolarHBondContact O-N 3.21Å; L305-I309 HydrophobicContact CG-CD1 4.48Å; L305-I309 WeakPolarHBondContact O-CD1 3.39Å; L305-I309 WeakPolarHBondContact O-CG1 3.48Å; L305-I309 PolarHBondContact O-N 3.27Å
306I42.4Very low37Very low72 Ų72110.5 Ų110.537%0.36957%0.573SS.*Hα-helixtrans-69.5-46.5175.9-72.9172.6000111.3H302 K303 H308 I309 H310H302-I306 WeakPolarHBondContact ND1-CD1 3.11Å; H302-I306 WeakPolarHBondContact O-CG1 3.19Å; H302-I306 PolarHBondContact O-N 2.99Å; H302-I306 VanDerWaalsContact O-N 3.12Å; K303-I306 PolarHBondContact O-N 2.85Å; I306-H308 VanDerWaalsContact C-N 3.25Å; I306-H308 PolarHBondContact O-N 3.42Å; I306-I309 PolarHBondContact O-N 3.36Å; I306-I309 VanDerWaalsContact O-N 3.11Å; I306-H310 PolarHBondContact O-N 2.89Å
307D38.9Very low37Very low75 Ų75112.6 Ų112.640%0.40158%0.581SS.*Hα-helixtrans-60.8-36.6-179.2-69.1-21.2000110.7K303 S311K303-D307 IonicContact NZ-OD1 2.78Å; K303-D307 PolarHBondContact NZ-OD1 3.37Å; K303-D307 IonicContact NZ-OD2 2.72Å; K303-D307 PolarHBondContact NZ-OD2 2.84Å; K303-D307 WeakPolarHBondContact O-CB 3.41Å; K303-D307 VanDerWaalsContact O-CG 3.27Å; K303-D307 PolarHBondContact O-N 3.22Å; D307-S311 WeakPolarHBondContact O-CB 3.4Å; D307-S311 PolarHBondContact O-N 3.38Å
308H39.2Very low37.2Very low139 Ų139109.6 Ų109.664%0.64458%0.576SS**Hα-helixtrans-71.6-33.4176.4-151.929.9000113.1L304 I306 S311 T312L304-H308 PolarHBondContact O-N 2.92Å; I306-H308 VanDerWaalsContact C-N 3.25Å; I306-H308 PolarHBondContact O-N 3.42Å; H308-S311 PolarHBondContact O-OG 2.99Å; H308-T312 PolarHBondContact O-N 2.76Å; H308-T312 PolarHBondContact O-OG1 3.37Å
309I42.9Very low36.9Very low93 Ų93113.1 Ų113.148%0.47759%0.593SS.*Hα-helixtrans-73.7-36.5174.1-69.8168.1000111.7L305 I306 T312 T313L305-I309 HydrophobicContact CG-CD1 4.48Å; L305-I309 WeakPolarHBondContact O-CD1 3.39Å; L305-I309 WeakPolarHBondContact O-CG1 3.48Å; L305-I309 PolarHBondContact O-N 3.27Å; I306-I309 PolarHBondContact O-N 3.36Å; I306-I309 VanDerWaalsContact O-N 3.11Å; I309-T312 PolarHBondContact O-N 2.95Å; I309-T312 PolarHBondContact O-OG1 2.98Å; I309-T313 PolarHBondContact O-N 3.35Å; I309-T313 PolarHBondContact O-OG1 2.99Å
310H37.6Very low36.9Very low111 Ų111112.8 Ų112.851%0.51459%0.591SS.*Hα-helixtrans-66.6-40.9172.8-93.3-116.1000111.6I306 T312 T313 I314I306-H310 PolarHBondContact O-N 2.89Å; H310-T312 PolarHBondContact O-N 2.81Å; H310-T313 PolarHBondContact O-N 3.5Å; H310-I314 HydrophobicContact CB-CD1 4.15Å; H310-I314 WeakPolarHBondContact O-CG1 3.49Å; H310-I314 PolarHBondContact O-N 3.28Å
311S38Very low36.5Very low64 Ų64117.1 Ų117.145%0.44861%0.608SS.*Hα-helixtrans-59.5-31177.575.30000113.6D307 H308D307-S311 WeakPolarHBondContact O-CB 3.4Å; D307-S311 PolarHBondContact O-N 3.38Å; H308-S311 PolarHBondContact O-OG 2.99Å
312T39.5Very low36.3Very low101 Ų101122.8 Ų122.862%0.6263%0.625SS**THydrogen-bonded Turntrans-85.4-4.517652.70000114.8H308 I309 H310H308-T312 PolarHBondContact O-N 2.76Å; H308-T312 PolarHBondContact O-OG1 3.37Å; I309-T312 PolarHBondContact O-N 2.95Å; I309-T312 PolarHBondContact O-OG1 2.98Å; H310-T312 PolarHBondContact O-N 2.81Å
313T39.2Very low35.8Very low92 Ų92121.4 Ų121.456%0.56463%0.629SS**THydrogen-bonded Turntrans-120.2-4-173-40.40000113.1I309 H310I309-T313 PolarHBondContact O-N 3.35Å; I309-T313 PolarHBondContact O-OG1 2.99Å; H310-T313 PolarHBondContact O-N 3.5Å
314I36.5Very low35.2Very low101 Ų101121.5 Ų121.552%0.51864%0.64SS.*SBendtrans-96.7-23.9-177.9-72.1170000112.9H310 D316H310-I314 HydrophobicContact CB-CD1 4.15Å; H310-I314 WeakPolarHBondContact O-CG1 3.49Å; H310-I314 PolarHBondContact O-N 3.28Å; I314-D316 PolarHBondContact O-N 2.69Å
315N35Very low34.7Very low124 Ų124122.9 Ų122.966%0.66364%0.643SS**THydrogen-bonded Turntrans-82.3-8.1-174.9-831.9000116.1N317N315-N317 VanDerWaalsContact C-N 3.29Å
316D34.4Very low34.3Very low150 Ų150123 Ų12380%0.80265%0.645SS**THydrogen-bonded Turntrans-83.2-4.5174.8-74.6-19000113I314 I318I314-D316 PolarHBondContact O-N 2.69Å; D316-I318 PolarHBondContact O-N 3.35Å
317N29.7Very low33.9Very low144 Ų144127.8 Ų127.877%0.7767%0.671SS**  trans-90.361.1176-78.1-29.5000112N315N315-N317 VanDerWaalsContact C-N 3.29Å
318I33.7Very low33.4Very low134 Ų134131 Ų13169%0.68769%0.687SS**  trans-114.5119.4171.9-61.1-177.1000110.8D316 H320D316-I318 PolarHBondContact O-N 3.35Å; I318-H320 PolarHBondContact O-N 2.72Å
319N27.6Very low32.9Very low148 Ų148132.1 Ų132.179%0.79169%0.694SS**  trans-39121.4-178.3-60.1-49.4000115.6
320H32.2Very low32.3Very low173 Ų173134.5 Ų134.580%0.80171%0.707SS**  trans-131.764.6156-96.9-69.4000111.5I318 Y322I318-H320 PolarHBondContact O-N 2.72Å; H320-Y322 PolarHBondContact O-N 2.8Å
321N27.3Very low32Very low159 Ų159136.1 Ų136.185%0.8572%0.719SS**  trans-74106.6152.8-83.3-15.7000107.5
322Y30.5Very low31.6Very low210 Ų210139.8 Ų139.882%0.82473%0.734SS**  trans-132.1128.5158.9-113.9-88.3000110.8H320H320-Y322 PolarHBondContact O-N 2.8Å
323S28.8Very low31.5Very low98 Ų98141 Ų14169%0.68574%0.742SS**  trans-52.1159.3-171.4-44.90000115.8
324T28Very low30.9Very low124 Ų124142.9 Ų142.976%0.76175%0.748SS**  trans-11.4140.7136.553.60000114.6
325E29.1Very low30.7Very low156 Ų156145 Ų14573%0.72977%0.766SS**  -167.7172.155.8-140.6178.2138.800112.1
326N30.3Very low30.3Very low116 Ų116148.3 Ų148.362%0.6277%0.774SS**  trans49.3100.7155.5-59.3-39.3000119.5
327D33.4Very low30Very low171 Ų171149.6 Ų149.691%0.91478%0.778SS**  -146115.6128.8-127.9-19.8000110.5
328I28.1Very low29.8Very low144 Ų144147.7 Ų147.774%0.73877%0.773SS**  trans-125.2130.3177.7-64.4171.7000106.1
329M29.3Very low29.5Very low161 Ų161148 Ų14879%0.79378%0.776SS**  trans-175.4123139.5-93.5-95.8-92.800112
330L29.3Very low29.7Very low143 Ų143145.9 Ų145.975%0.74977%0.769SS**  trans45.6107.2147.9-59.6168.6000119.5
331D31.5Very low29.6Very low145 Ų145143.1 Ų143.178%0.77576%0.76SS**  -146.5143.681-167.910.8000110.4
332N29.4Very low29.7Very low141 Ų141142.1 Ų142.175%0.75476%0.755SS**  trans-144.397.8-173.7-116.3-4000110.1
333T37.8Very low29.8Very low128 Ų128136.8 Ų136.879%0.78574%0.74SS**  trans-129.2107.6159.241.70000110.3
334D27.8Very low30.3Very low131 Ų131137.1 Ų137.170%0.70173%0.733SS**  trans-63.2143.1-178.8-82.9-84.1000113.5
335T31.3Very low30.7Very low145 Ų145137.8 Ų137.889%0.8973%0.726SS**  trans-14291.9136.9-32.70000110.6M337T335-M337 PolarHBondContact O-N 2.99Å
336K27.4Very low31.1Very low193 Ų193137.2 Ų137.284%0.83972%0.718SS**  trans-72.3100.8-170.8-173176.2-172.1169.40112.6
337M27Very low31.4Very low178 Ų178135.1 Ų135.188%0.87771%0.707SS**  trans-86.4145.8167.4-100.2-162159.900112.3T335T335-M337 PolarHBondContact O-N 2.99Å
338P26.6Very low32.4Very low103 Ų103132.1 Ų132.167%0.66969%0.686SS**  trans-78.9142.3-169.131.1-35.6000113.5T340P338-T340 PolarHBondContact O-N 3.41Å
339N27.5Very low33.8Very low140 Ų140131.9 Ų131.975%0.74968%0.679SS**  trans-77.796.4178.9-172.414000111.6N341N339-N341 PolarHBondContact O-N 2.88Å
340T30.6Very low35Very low105 Ų105127.9 Ų127.964%0.64467%0.667SS**  trans-94.289.7178.842.20000112P338 N342P338-T340 PolarHBondContact O-N 3.41Å; T340-N342 VanDerWaalsContact C-N 3.25Å; T340-N342 PolarHBondContact O-N 2.93Å
341N30.2Very low36.5Very low114 Ų114126.3 Ų126.361%0.6166%0.659SS**  trans-66.974174.4-77.6-26.3000112.6N339 N343N339-N341 PolarHBondContact O-N 2.88Å; N341-N343 PolarHBondContact O-N 3.41Å
342N31.1Very low36.7Very low139 Ų139121.3 Ų121.374%0.74364%0.642SS**  trans-75.465.1172.1-75.4-8.3000111T340 I344T340-N342 VanDerWaalsContact C-N 3.25Å; T340-N342 PolarHBondContact O-N 2.93Å; N342-I344 PolarHBondContact O-N 3.37Å
343N31.7Very low37.1Very low97 Ų97118.6 Ų118.652%0.51965%0.647SS.*  trans-71.591.2179.8-74.1-12.9000110.9N341 F345N341-N343 PolarHBondContact O-N 3.41Å; N343-F345 HydrophobicContact CB-CD2 4.01Å; N343-F345 HydrophobicContact CB-CE2 3.78Å; N343-F345 PolarHBondContact O-N 2.99Å
344I39.4Very low37.3Very low105 Ų105115 Ų11554%0.53864%0.635SS.*  trans-69.598.8168.7-61.3177.3000108.3N342 Y346 L360N342-I344 PolarHBondContact O-N 3.37Å; I344-Y346 HydrophobicContact CG2-CD2 4.43Å; I344-Y346 HydrophobicContact CG2-CE2 3.86Å; I344-L360 HydrophobicContact CG2-CD1 3.37Å; I344-L360 HydrophobicContact CG2-CG 4.47Å
345F35.7Very low37.6Very low139 Ų139113.3 Ų113.361%0.6162%0.622SS**EExtended strand (participates in β ladder)trans-81131.1176.1-88.8-88.1000111.3N343 K361N343-F345 HydrophobicContact CB-CD2 4.01Å; N343-F345 HydrophobicContact CB-CE2 3.78Å; N343-F345 PolarHBondContact O-N 2.99Å; F345-K361 HydrophobicContact CB-CB 4.4Å; F345-K361 PolarHBondContact O-N 2.89Å
346Y37Very low38.8Very low143 Ų143111.7 Ų111.756%0.56160%0.6SS**EExtended strand (participates in β ladder)trans-101.9118.4166.6-68.3-94.1000108.9I344 T359 L360I344-Y346 HydrophobicContact CG2-CD2 4.43Å; I344-Y346 HydrophobicContact CG2-CE2 3.86Å; Y346-T359 WeakPolarHBondContact CA-O 3.46Å; Y346-L360 HydrophobicContact CD1-CD1 4.13Å; Y346-L360 HydrophobicContact CE1-CD1 3.5Å; Y346-L360 VanDerWaalsContact CE1-CD1 3.5Å; Y346-L360 HydrophobicContact CE2-CD1 4.23Å
347D38.4Very low39.9Very low72 Ų72106.7 Ų106.739%0.38558%0.582SS.*EExtended strand (participates in β ladder)trans-80.1127173.2-153-32.2000109.4Y358 T359 K361D347-Y358 CarbonylContact O-C 3.01Å; D347-Y358 WeakPolarHBondContact O-CA 3.33Å; D347-T359 PolarHBondContact N-O 3.37Å; D347-T359 PolarHBondContact O-N 3.43Å; D347-K361 HydrophobicContact CB-CD 4.37Å; D347-K361 WeakPolarHBondContact OD2-CE 3.28Å; D347-K361 IonicContact OD2-NZ 3.47Å; D347-K361 PolarHBondContact OD2-NZ 3.22Å
348K54.3Low41.1Very low109 Ų109104.5 Ų104.547%0.47457%0.565SS.*EExtended strand (participates in β ladder)trans-11297.7-172.2-176.8-171.5174.3-173.70110.4Y356 L357 Y358K348-Y356 HydrophobicContact CD-CD1 4.32Å; K348-Y356 VanDerWaalsContact CE-CE1 3.42Å; K348-Y356 VanDerWaalsContact CE-CG 3.43Å; K348-Y356 HydrophobicContact CG-CD1 4.14Å; K348-Y356 HydrophobicContact CG-CG 4.39Å; K348-L357 WeakPolarHBondContact CA-O 3.22Å; K348-Y358 HydrophobicContact CB-CD1 4.38Å; K348-Y358 HydrophobicContact CB-CE1 4.22Å; K348-Y358 HydrophobicContact CD-CE1 4.13Å; K348-Y358 HydrophobicContact CG-CD1 4.38Å; K348-Y358 HydrophobicContact CG-CE1 3.87Å
349K56.1Low42Very low139 Ų139103 Ų10360%0.60455%0.554SS**EExtended strand (participates in β ladder)trans-94.9126.2176.7-168.7173.2-177.4178.40111Y356 L357K349-Y356 WeakPolarHBondContact O-CA 3.4Å; K349-L357 HydrophobicContact CB-CB 4.38Å; K349-L357 PolarHBondContact N-O 3.3Å; K349-L357 PolarHBondContact O-N 2.92Å
350S54.7Low42.7Very low77 Ų77100.7 Ų100.754%0.53854%0.541SS..EExtended strand (participates in β ladder)trans-70.6139170.6-171.80000110.8G352S350-G352 PolarHBondContact OG-N 3Å
351L61.9Low43Very low109 Ų109101.2 Ų101.257%0.57153%0.534SS*.  trans-112.95.7174.9-65.1173.7000112.5K355 L357L351-K355 HydrophobicContact CB-CB 4.02Å; L351-K355 HydrophobicContact CD1-CB 4.47Å; L351-K355 PolarHBondContact N-O 2.67Å; L351-L357 HydrophobicContact CD1-CB 4.16Å; L351-L357 HydrophobicContact CG-CB 4.42Å
352G36Very low43.4Very low40 Ų40100.4 Ų100.441%0.41253%0.533SS..SBendtrans75.1171.9-169.500000112.9S350 G354 K355S350-G352 PolarHBondContact OG-N 3Å; G352-G354 PolarHBondContact O-N 3.04Å; G352-G354 VanDerWaalsContact O-N 3.09Å; G352-K355 PolarHBondContact O-N 3.24Å
353G37.4Very low43.6Very low84 Ų8498.5 Ų98.587%0.86653%0.529SS*.THydrogen-bonded Turntrans54.532.9175.200000115.3K355G353-K355 VanDerWaalsContact C-N 3.26Å; G353-K355 PolarHBondContact O-N 2.98Å
354G42.4Very low43.8Very low52 Ų52102.2 Ų102.254%0.53654%0.543SS..THydrogen-bonded Turntrans74.23.4-17700000115.8G352G352-G354 PolarHBondContact O-N 3.04Å; G352-G354 VanDerWaalsContact O-N 3.09Å
355K33.4Very low43.6Very low96 Ų96104.9 Ų104.942%0.41756%0.558SS.*  trans-91.8139.8-178.1-64.2179.3-179.2179.20111.9L351 G352 G353 N387L351-K355 HydrophobicContact CB-CB 4.02Å; L351-K355 HydrophobicContact CD1-CB 4.47Å; L351-K355 PolarHBondContact N-O 2.67Å; G352-K355 PolarHBondContact O-N 3.24Å; G353-K355 VanDerWaalsContact C-N 3.26Å; G353-K355 PolarHBondContact O-N 2.98Å; K355-N387 PolarHBondContact NZ-OD1 3.47Å
356Y57.2Low43.3Very low112 Ų112107.3 Ų107.344%0.43957%0.571SS.*EExtended strand (participates in β ladder)trans-129.8137.1176-61.5-70.2000111.1K348 K349K348-Y356 HydrophobicContact CD-CD1 4.32Å; K348-Y356 VanDerWaalsContact CE-CE1 3.42Å; K348-Y356 VanDerWaalsContact CE-CG 3.43Å; K348-Y356 HydrophobicContact CG-CD1 4.14Å; K348-Y356 HydrophobicContact CG-CG 4.39Å; K349-Y356 WeakPolarHBondContact O-CA 3.4Å
357L49.6Very low43Very low87 Ų87105.1 Ų105.146%0.45558%0.577SS.*EExtended strand (participates in β ladder)trans-93.2132.8165.9-178.466.4000108.9K348 K349 L351K348-L357 WeakPolarHBondContact CA-O 3.22Å; K349-L357 HydrophobicContact CB-CB 4.38Å; K349-L357 PolarHBondContact N-O 3.3Å; K349-L357 PolarHBondContact O-N 2.92Å; L351-L357 HydrophobicContact CD1-CB 4.16Å; L351-L357 HydrophobicContact CG-CB 4.42Å
358Y52.4Low42.8Very low132 Ų132110.3 Ų110.352%0.51860%0.598SS.*EExtended strand (participates in β ladder)trans-113.7111.7175.3-69.3-88.3000109.8D347 K348D347-Y358 CarbonylContact O-C 3.01Å; D347-Y358 WeakPolarHBondContact O-CA 3.33Å; K348-Y358 HydrophobicContact CB-CD1 4.38Å; K348-Y358 HydrophobicContact CB-CE1 4.22Å; K348-Y358 HydrophobicContact CD-CE1 4.13Å; K348-Y358 HydrophobicContact CG-CD1 4.38Å; K348-Y358 HydrophobicContact CG-CE1 3.87Å
359T45.7Very low41.6Very low71 Ų71112.1 Ų112.144%0.43661%0.613SS.*EExtended strand (participates in β ladder)trans-102121178.8-53.70000110.1Y346 D347 K361Y346-T359 WeakPolarHBondContact CA-O 3.46Å; D347-T359 PolarHBondContact N-O 3.37Å; D347-T359 PolarHBondContact O-N 3.43Å; T359-K361 PolarHBondContact O-N 2.77Å
360L41.6Very low40.7Very low92 Ų92114.5 Ų114.548%0.48263%0.626SS.*EExtended strand (participates in β ladder)trans-72.4106.2176.4-173.677.8000110.4I344 Y346 V362I344-L360 HydrophobicContact CG2-CD1 3.37Å; I344-L360 HydrophobicContact CG2-CG 4.47Å; Y346-L360 HydrophobicContact CD1-CD1 4.13Å; Y346-L360 HydrophobicContact CE1-CD1 3.5Å; Y346-L360 VanDerWaalsContact CE1-CD1 3.5Å; Y346-L360 HydrophobicContact CE2-CD1 4.23Å; L360-V362 HydrophobicContact CD2-CG2 3.65Å; L360-V362 HydrophobicContact CG-CG2 3.91Å; L360-V362 PolarHBondContact O-N 2.77Å
361K36.5Very low39.5Very low116 Ų116116.5 Ų116.550%0.50464%0.637SS.*EExtended strand (participates in β ladder)trans-86.687.6170-84.4175.1169.31660109.6F345 D347 T359F345-K361 HydrophobicContact CB-CB 4.4Å; F345-K361 PolarHBondContact O-N 2.89Å; D347-K361 HydrophobicContact CB-CD 4.37Å; D347-K361 WeakPolarHBondContact OD2-CE 3.28Å; D347-K361 IonicContact OD2-NZ 3.47Å; D347-K361 PolarHBondContact OD2-NZ 3.22Å; T359-K361 PolarHBondContact O-N 2.77Å
362V39.5Very low37.9Very low98 Ų98117.6 Ų117.659%0.59465%0.653SS**  trans-70.4127.7163.6-176.10000108.1L360 Q364L360-V362 HydrophobicContact CD2-CG2 3.65Å; L360-V362 HydrophobicContact CG-CG2 3.91Å; L360-V362 PolarHBondContact O-N 2.77Å; V362-Q364 PolarHBondContact O-N 2.81Å; V362-Q364 VanDerWaalsContact O-N 3.16Å
363P33.9Very low37.7Very low99 Ų99124.5 Ų124.564%0.64367%0.674SS**  trans-64.6114.5174-20.332.8000110.6N365P363-N365 PolarHBondContact O-N 2.96Å
364Q37Very low37.2Very low174 Ų174128.8 Ų128.881%0.81367%0.672SS**  trans-80.4112.9167-73.9-172.7-22.600108.8V362 H366V362-Q364 PolarHBondContact O-N 2.81Å; V362-Q364 VanDerWaalsContact O-N 3.16Å; Q364-H366 PolarHBondContact O-N 3.22Å
365N34.4Very low36.5Very low161 Ų161134.5 Ų134.586%0.86169%0.689SS**  trans-64.4119.3163.4-83.5-14.8000108.3P363 S367P363-N365 PolarHBondContact O-N 2.96Å; N365-S367 PolarHBondContact O-N 3.19Å
366H29Very low36.2Very low190 Ų190135.2 Ų135.288%0.8870%0.702SS**  trans-65.1114179.9-78.2-69.2000111.6Q364Q364-H366 PolarHBondContact O-N 3.22Å
367S31.2Very low35Very low98 Ų98137.3 Ų137.369%0.68572%0.72SS**  trans-153.1113.3158.3-158.70000111.9N365N365-S367 PolarHBondContact O-N 3.19Å
368H34.8Very low33.9Very low180 Ų180140.9 Ų140.983%0.83373%0.734SS**  trans60.1150.2168.4-64.2-67.5000120.6
369N29.4Very low32.8Very low147 Ų147142.3 Ų142.379%0.78675%0.751SS**  trans-100.1151.4-168.7-54.5-43.3000111.4
370H36.1Very low31.8Very low190 Ų190146.8 Ų146.888%0.8877%0.767SS**  -162134.7128.6-105.3-74.2000109.9
371P29.4Very low31.1Very low119 Ų119149.2 Ų149.277%0.77378%0.781SS**  trans-88.7149.617834.8-33.7000112.1
372C29.1Very low30.7Very low132 Ų132148 Ų14889%0.89279%0.787SS**  trans-136.1161.3160.1-1550000110.1
373Q31.6Very low30.1Very low184 Ų184150.1 Ų150.186%0.8680%0.8SS**  trans-96.1161.6-146.6-69169.3-50.100115.2
374Q26.5Very low29.6Very low175 Ų175157.2 Ų157.282%0.81881%0.814SS**  trans-66.3143.3169.9-64.9169.6-28.800110.9
375L28.8Very low29.1Very low172 Ų172154.7 Ų154.790%0.90182%0.815SS**  trans-133.188158-113.5166000108.3
376T25.7Very low28.9Very low111 Ų111152.7 Ų152.768%0.68181%0.809SS**  trans-81.2133.1168.448.10000109.5
377N32Very low28.7Very low155 Ų155149.8 Ų149.883%0.82980%0.8SS**  trans-150.3157.2142.9-111.6-21.9000111.2
378Q26.4Very low28.7Very low162 Ų162152.1 Ų152.176%0.75780%0.8SS**  trans-88.7149.6-165-62157-66.200111.9
379N30.4Very low28.4Very low162 Ų162148.2 Ų148.287%0.86679%0.785SS**  -161.6136.1118.8-95.5-23.1000111
380Q25.2Very low28.5Very low166 Ų166148.3 Ų148.378%0.77678%0.784SS**  trans-86150.2159.3-64.6165.1-113.300105.9
381D26.8Very low28.3Very low143 Ų143141.3 Ų141.377%0.76576%0.755SS**  -174.6-174.666.5-129-42.3000113.6
382S27.6Very low28.8Very low91 Ų91146 Ų14664%0.63676%0.758SS**  trans76.875.2155.769.30000121.2
383T26.4Very low29.1Very low141 Ų141141.8 Ų141.887%0.86574%0.736SS**  67.1150.1125.258.70000124.4
384R24.1Very low29.4Very low249 Ų249135.6 Ų135.694%0.9471%0.712SS**  trans85.677.7150.7-156-179.3-167.4174.73.9119.1
385S26.9Very low29.6Very low120 Ų120134.2 Ų134.284%0.83971%0.709SS**  trans-145.6157.5148.9-166.40000112.7
386T29.8Very low29.9Very low119 Ų119129 Ų12973%0.7369%0.685SS**  trans-72.7145-160.5470000116.3Q388T386-Q388 PolarHBondContact O-N 3.12Å
387N24.2Very low30.1Very low130 Ų130132.7 Ų132.770%0.69569%0.688SS**  trans-73119.1163.2-73.5-65.3000111.2K355K355-N387 PolarHBondContact NZ-OD1 3.47Å
388Q31.7Very low29.9Very low146 Ų146130.3 Ų130.368%0.68268%0.675SS**  trans-138.1137.6157.4-67.3-158.925.800111.3T386T386-Q388 PolarHBondContact O-N 3.12Å
389L27.4Very low30Very low99 Ų99128.7 Ų128.752%0.51867%0.671SS.*  trans-81.2126.5167.9-79.5153.2000108.9Y79 P391Y79-L389 PolarHBondContact OH-O 3.13Å; L389-P391 WeakPolarHBondContact O-CD 2.71Å
390I31.4Very low30.2Very low148 Ų148130 Ų13076%0.75967%0.673SS**  trans-93.1113.7-175.2-59.6172.6000109.1
391P33.7Very low30.5Very low43 Ų43127.3 Ų127.328%0.27966%0.66SS.*  trans-72.9166.1168.233-33.2000109.9Y79 L389 G393Y79-P391 HydrophobicContact CD1-CB 4.09Å; Y79-P391 HydrophobicContact CD1-CG 4.19Å; Y79-P391 HydrophobicContact CE1-CB 4.22Å; Y79-P391 HydrophobicContact CE1-CG 3.97Å; L389-P391 WeakPolarHBondContact O-CD 2.71Å; P391-G393 PolarHBondContact O-N 2.82Å
392R38.8Very low30.7Very low218 Ų218124.2 Ų124.282%0.82365%0.648SS**SBendtrans-78.546.5179.8-58.6173.4162176.3-6.3113E76E76-R392 VanDerWaalsContact OE1-CB 3.28Å; E76-R392 WeakPolarHBondContact OE1-CB 3.49Å; E76-R392 PolarHBondContact OE1-N 3.09Å
393G36.7Very low30.8Very low43 Ų43126.2 Ų126.244%0.44365%0.651SS.*  trans-54.7147.3156.200000109.6P391 L395P391-G393 PolarHBondContact O-N 2.82Å; G393-L395 PolarHBondContact O-N 2.78Å; G393-L395 VanDerWaalsContact O-N 3.17Å
394P36.7Very low31.1Very low54 Ų54123.4 Ų123.435%0.35164%0.637SS.*  trans-61.9123.1176.227.9-34.2000108.7F69 P111 V396F69-P394 HydrophobicContact CE1-CB 4.12Å; F69-P394 HydrophobicContact CE1-CG 3.84Å; F69-P394 HydrophobicContact CZ-CG 4.44Å; P111-P394 HydrophobicContact CG-CG 3.45Å; P111-P394 VanDerWaalsContact CG-CG 3.45Å; P394-V396 PolarHBondContact O-N 3.18Å
395L31.9Very low31.6Very low146 Ų146112.7 Ų112.776%0.76460%0.6SS**  trans-58.5110168.7-72.2171.8000108G393 Y397G393-L395 PolarHBondContact O-N 2.78Å; G393-L395 VanDerWaalsContact O-N 3.17Å; L395-Y397 PolarHBondContact O-N 2.87Å; L395-Y397 VanDerWaalsContact O-N 3.15Å
396V34.1Very low31.9Very low64 Ų64110.1 Ų110.139%0.38858%0.576SS.*  trans-67.6108.7161.5-170.80000104.8P394 D398P394-V396 PolarHBondContact O-N 3.18Å; V396-D398 WeakPolarHBondContact CG1-OD1 3.23Å; V396-D398 VanDerWaalsContact CG1-OD2 3.22Å; V396-D398 WeakPolarHBondContact CG1-OD2 3.21Å; V396-D398 PolarHBondContact O-N 2.87Å
397Y29.7Very low32.3Very low188 Ų188109.2 Ų109.274%0.73757%0.566SS**  trans-83.768.2-177.9-154.6-85.3000108.9L395 N399L395-Y397 PolarHBondContact O-N 2.87Å; L395-Y397 VanDerWaalsContact O-N 3.15Å; Y397-N399 HydrophobicContact CD1-CB 4.09Å; Y397-N399 HydrophobicContact CE1-CB 3.83Å; Y397-N399 PolarHBondContact O-N 2.84Å
398D27.7Very low32.8Very low105 Ų105105.8 Ų105.856%0.56155%0.551SS**  trans-71.874.5172.8-66.7-44.5000109V396V396-D398 WeakPolarHBondContact CG1-OD1 3.23Å; V396-D398 VanDerWaalsContact CG1-OD2 3.22Å; V396-D398 WeakPolarHBondContact CG1-OD2 3.21Å; V396-D398 PolarHBondContact O-N 2.87Å
399N29.3Very low32.9Very low127 Ų127103.7 Ų103.768%0.67955%0.545SS*.  trans-163.456.1173.6-95.2-37.2000110.6Y397Y397-N399 HydrophobicContact CD1-CB 4.09Å; Y397-N399 HydrophobicContact CE1-CB 3.83Å; Y397-N399 PolarHBondContact O-N 2.84Å
400E34.8Very low33Very low191 Ų191104.2 Ų104.289%0.89355%0.548SS*.  trans-9890.9150.2-74.8-163.1178.100108
401E31Very low33.2Very low108 Ų108101.7 Ų101.751%0.50554%0.539SS..  trans-54.8133153.7-105.2-148.7104.300107.6L403 S405 I406E401-L403 PolarHBondContact O-N 2.95Å; E401-S405 WeakPolarHBondContact OE1-CB 3.24Å; E401-S405 PolarHBondContact OE1-OG 2.69Å; E401-I406 HydrophobicContact CB-CD1 4.16Å; E401-I406 HydrophobicContact CB-CG1 4.42Å; E401-I406 WeakPolarHBondContact OE2-CG1 3.29Å
402P30.3Very low33.2Very low79 Ų79104.2 Ų104.251%0.51356%0.558SS.*  trans-64.6131177.328.9-33.9000108.3S404 S405P402-S404 PolarHBondContact O-N 2.59Å; P402-S405 PolarHBondContact O-N 3.25Å; P402-S405 PolarHBondContact O-OG 3.38Å
403L30.4Very low32.8Very low133 Ų133100.9 Ų100.970%0.69656%0.557SS**Hα-helixtrans-55.1-17-177.1-122.876.5000114E401 I407E401-L403 PolarHBondContact O-N 2.95Å; L403-I407 WeakPolarHBondContact O-CB 3.34Å; L403-I407 WeakPolarHBondContact O-CD1 3.29Å; L403-I407 WeakPolarHBondContact O-CG1 3.33Å; L403-I407 PolarHBondContact O-N 2.74Å; L403-I407 VanDerWaalsContact O-N 3.13Å
404S33.5Very low32.6Very low82 Ų82108 Ų10857%0.57357%0.57SS**Hα-helixtrans-69.4-32.8171.151.50000115.4P402 I407 S408P402-S404 PolarHBondContact O-N 2.59Å; S404-I407 PolarHBondContact O-N 3.49Å; S404-S408 PolarHBondContact O-N 3.17Å; S404-S408 PolarHBondContact O-OG 3.37Å
405S33Very low32.4Very low23 Ų23112.4 Ų112.416%0.16159%0.591CS.*Hα-helixtrans-73.1-39.3176.656.40000111.5E401 P402 I407 S408 N409E401-S405 WeakPolarHBondContact OE1-CB 3.24Å; E401-S405 PolarHBondContact OE1-OG 2.69Å; P402-S405 PolarHBondContact O-N 3.25Å; P402-S405 PolarHBondContact O-OG 3.38Å; S405-I407 VanDerWaalsContact C-N 3.32Å; S405-I407 PolarHBondContact O-N 3.16Å; S405-S408 WeakPolarHBondContact CA-OG 3.31Å; S405-S408 PolarHBondContact O-N 2.97Å; S405-S408 PolarHBondContact O-OG 3.24Å; S405-N409 WeakPolarHBondContact O-CB 3.33Å; S405-N409 PolarHBondContact O-N 3.25Å; S405-N409 PolarHBondContact O-ND2 3.29Å
406I34.8Very low32.3Very low67 Ų67112.7 Ų112.734%0.34459%0.593SS.*Hα-helixtrans-62.1-42.3172.3-64.4174.7000109.9E401 L410E401-I406 HydrophobicContact CB-CD1 4.16Å; E401-I406 HydrophobicContact CB-CG1 4.42Å; E401-I406 WeakPolarHBondContact OE2-CG1 3.29Å; I406-L410 HydrophobicContact CG2-CD1 3.75Å; I406-L410 HydrophobicContact CG2-CG 4.41Å; I406-L410 VanDerWaalsContact O-CB 3.24Å; I406-L410 WeakPolarHBondContact O-CB 3.14Å; I406-L410 WeakPolarHBondContact O-CG 3.22Å; I406-L410 PolarHBondContact O-N 3.04Å
407I37.5Very low32Very low100 Ų100115.9 Ų115.951%0.51361%0.612SS.*Hα-helixtrans-66.9-41.1175-72.3167.5000112.4L403 S404 S405 T411L403-I407 WeakPolarHBondContact O-CB 3.34Å; L403-I407 WeakPolarHBondContact O-CD1 3.29Å; L403-I407 WeakPolarHBondContact O-CG1 3.33Å; L403-I407 PolarHBondContact O-N 2.74Å; L403-I407 VanDerWaalsContact O-N 3.13Å; S404-I407 PolarHBondContact O-N 3.49Å; S405-I407 VanDerWaalsContact C-N 3.32Å; S405-I407 PolarHBondContact O-N 3.16Å; I407-T411 WeakPolarHBondContact O-CG2 3.43Å; I407-T411 PolarHBondContact O-N 2.81Å; I407-T411 PolarHBondContact O-OG1 3.23Å
408S35Very low31.9Very low57 Ų57112.9 Ų112.940%0.39961%0.614SS.*Hα-helixtrans-66.7-40.2177.662.70000112.3S404 S405 T411 S412S404-S408 PolarHBondContact O-N 3.17Å; S404-S408 PolarHBondContact O-OG 3.37Å; S405-S408 WeakPolarHBondContact CA-OG 3.31Å; S405-S408 PolarHBondContact O-N 2.97Å; S405-S408 PolarHBondContact O-OG 3.24Å; S408-T411 WeakPolarHBondContact CA-OG1 3.25Å; S408-T411 PolarHBondContact O-N 3.31Å; S408-T411 PolarHBondContact O-OG1 2.7Å; S408-S412 WeakPolarHBondContact O-CB 3.28Å; S408-S412 PolarHBondContact O-N 2.88Å
409N32.3Very low31.9Very low102 Ų102113.8 Ų113.855%0.54562%0.623SS.*Hα-helixtrans-74.4-32.5179.3-67.6-17.7000112.2S405 T411 N413S405-N409 WeakPolarHBondContact O-CB 3.33Å; S405-N409 PolarHBondContact O-N 3.25Å; S405-N409 PolarHBondContact O-ND2 3.29Å; N409-T411 VanDerWaalsContact C-N 3.32Å; N409-N413 PolarHBondContact O-N 3.15Å
410L31.1Very low31.8Very low110 Ų110113.8 Ų113.858%0.57663%0.628SS**Hα-helixtrans-74.9-15.6171.2-70.8174000114.1I406I406-L410 HydrophobicContact CG2-CD1 3.75Å; I406-L410 HydrophobicContact CG2-CG 4.41Å; I406-L410 VanDerWaalsContact O-CB 3.24Å; I406-L410 WeakPolarHBondContact O-CB 3.14Å; I406-L410 WeakPolarHBondContact O-CG 3.22Å; I406-L410 PolarHBondContact O-N 3.04Å
411T35.4Very low31.4Very low95 Ų95108.6 Ų108.658%0.58362%0.618SS**Hα-helixtrans-90.7-33.4169.744.20000112.3I407 S408 N409I407-T411 WeakPolarHBondContact O-CG2 3.43Å; I407-T411 PolarHBondContact O-N 2.81Å; I407-T411 PolarHBondContact O-OG1 3.23Å; S408-T411 WeakPolarHBondContact CA-OG1 3.25Å; S408-T411 PolarHBondContact O-N 3.31Å; S408-T411 PolarHBondContact O-OG1 2.7Å; N409-T411 VanDerWaalsContact C-N 3.32Å
412S32.5Very low31.1Very low97 Ų97111.1 Ų111.168%0.67863%0.633SS**Hα-helixtrans-75.9-22.6179-167.70000114.8S408S408-S412 WeakPolarHBondContact O-CB 3.28Å; S408-S412 PolarHBondContact O-N 2.88Å
413N31.9Very low30.9Very low148 Ų148112.9 Ų112.979%0.79164%0.643SS**THydrogen-bonded Turntrans-110.830-176.8-156.69.5000113.2N409N409-N413 PolarHBondContact O-N 3.15Å
414R31.5Very low30.8Very low191 Ų191113.2 Ų113.272%0.72165%0.651SS**  trans-106.917.7-175.6-136.8171.7-173.7166.50.8114.8N416R414-N416 PolarHBondContact O-N 3.27Å
415N32.1Very low30.5Very low147 Ų147114.5 Ų114.579%0.78666%0.655SS**SBendtrans-95.652.8175.8-69.8-14.6000111.8
416N30.1Very low30.3Very low153 Ų153120.3 Ų120.382%0.81869%0.69SS**SBendtrans-179.7161.6157.7-94.8-36.8000111.1R414R414-N416 PolarHBondContact O-N 3.27Å
417V29.1Very low30.1Very low130 Ų130125.4 Ų125.479%0.78871%0.712SS**  trans6885.1173.4-163.30000117
418T27.5Very low29.8Very low126 Ų126127.3 Ų127.377%0.77373%0.728SS**  trans31.6111130.8-42.10000119.2
419T27.7Very low29.7Very low123 Ų123127.8 Ų127.876%0.75574%0.742SS**  trans-98.1125.3166.7-64.60000111.2
420T26.1Very low29.6Very low128 Ų128128.8 Ų128.879%0.78575%0.748SS**  trans-100.1109.1168.1-53.30000109.3
421A27.4Very low29.7Very low82 Ų82127 Ų12768%0.67874%0.736SS**  trans-94.8136.4178.200000111.5
422I24.6Very low29.5Very low161 Ų161128.1 Ų128.183%0.82673%0.733SS**  trans-105.4125.3164.8-61.2176000106.9
423T26.2Very low29.3Very low116 Ų116128.4 Ų128.471%0.71273%0.726SS**  trans-147.5123.3174.7-58.80000108.8T425T423-T425 PolarHBondContact O-N 2.86Å
424T26.8Very low29.2Very low140 Ų140130 Ų13086%0.85973%0.729SS**  trans-86.6105.8-176.4-50.40000109.9
425T27.4Very low29Very low109 Ų109124.4 Ų124.467%0.66973%0.731SS**PPolyproline II helixtrans-95.5131.3178.6530000112.3T423T423-T425 PolarHBondContact O-N 2.86Å
426T29.3Very low29Very low144 Ų144125.9 Ų125.988%0.88373%0.733SS**PPolyproline II helixtrans-88139.115143.90000109.6
427Q29.8Very low28.8Very low175 Ų175124.9 Ų124.982%0.81873%0.727SS**PPolyproline II helixtrans-76.6162.4-172.3-66.9174.3-11.800111.4
428T32.1Very low28.9Very low139 Ų139125.7 Ų125.785%0.85373%0.727SS**  cis-147.2165.148.745.40000115.2
429G32.2Very low28.9Very low67 Ų67125.5 Ų125.569%0.69173%0.726SS**  trans-92.6-167.2-176.800000115.4
430N31.7Very low28.8Very low123 Ų123125 Ų12566%0.65873%0.726SS**  cis-161.4-176.111.9-104.74.3000109.7F805N430-F805 PolarHBondContact ND2-O 2.97Å
431H32.9Very low28.8Very low74 Ų74124 Ų12434%0.34372%0.724SS.*  cis179.6137.3-41.1179.881.6000110.8V806 N807H431-V806 CarbonylContact O-C 3.08Å; H431-V806 WeakPolarHBondContact O-CA 3.44Å; H431-V806 WeakPolarHBondContact O-CG2 3.37Å; H431-N807 PolarHBondContact O-N 2.8Å
432K31.1Very low29Very low118 Ų118127.9 Ų127.951%0.51373%0.732SS.*  trans59.9174.4168.2-91.1179.5-172.3166.90117.5V806K432-V806 HydrophobicContact CB-CG2 3.53Å
433L28.1Very low29.1Very low102 Ų102127.4 Ų127.453%0.53473%0.731SS.*  cis-130.8-155.29-134.2-173.9000113.9F805 V806L433-F805 HydrophobicContact CD1-CE2 4.48Å; L433-F805 HydrophobicContact CD1-CZ 3.97Å; L433-V806 HydrophobicContact CB-CG2 4.34Å; L433-V806 HydrophobicContact CG-CG2 4.42Å
434Q29.4Very low29.4Very low182 Ų182129.9 Ų129.985%0.8574%0.735SS**  trans-154153.8-154.1176.4-177.31.200112.9
435G27.7Very low29.6Very low73 Ų73129.6 Ų129.675%0.75372%0.724SS**  trans-177.1125.9168.300000119.6
436H31.2Very low29.8Very low179 Ų179130.3 Ų130.383%0.82972%0.723SS**  trans74.7167.7155.1-106.8-43.1000123.8
437N27.4Very low30Very low131 Ų131130.9 Ų130.970%0.70172%0.72SS**  trans-129.5172.9-165.3-45.8-35.2000109.5
438D31.2Very low30.2Very low148 Ų148128 Ų12879%0.79172%0.717SS**  -176.9175.4110.6-94.6-16000114.4
439T27Very low29.8Very low122 Ų122127.4 Ų127.475%0.74872%0.716SS**  trans-108.5147-153.1-40.60000113.3
440C24.6Very low29.8Very low112 Ų112130.9 Ų130.976%0.75773%0.725SS**  159.2137.1124.3-880000115.9
441S26.4Very low29.6Very low107 Ų107133.2 Ų133.275%0.74874%0.737SS**  trans28.9152.2133.4-46.40000121.2
442I31.1Very low29.7Very low164 Ų164134.8 Ų134.884%0.84176%0.763SS**  cis-149.7161.744.2-67167.3000111.2
443N28.3Very low29.5Very low150 Ų150140 Ų14080%0.80278%0.779SS**  trans-76.5160.4178-70.3-31.2000115.3
444E32.2Very low29.9Very low168 Ų168141.1 Ų141.179%0.78579%0.793SS**  155.3158.3130-86.7-161.3133.400111.6
445Q31.3Very low30Very low135 Ų135137.6 Ų137.663%0.63179%0.788SS**  cis-164.8153.2-39.5-123.6-169.183.700108.2
446N31.8Very low30.4Very low123 Ų123138.1 Ų138.166%0.65879%0.786SS**  trans73.8116153.1-58.9-30.2000124.5
447L32.6Very low30.6Very low157 Ų157136.6 Ų136.682%0.82278%0.784SS**  trans84.8161.9130.2-101.870.4000121.1
448P33Very low30.9Very low114 Ų114135.6 Ų135.674%0.7479%0.787SS**  -130.5-169.6-105.244.4-27.7000116.7
449C23.9Very low31Very low126 Ų126136.7 Ų136.785%0.85179%0.792SS**  trans-66.9151.1-165.3-47.70000117.3
450T33.9Very low31.2Very low141 Ų141133.9 Ų133.987%0.86579%0.788SS**  trans-135.9159.5156.549.10000110.7
451N27.5Very low31.4Very low171 Ų171134.9 Ų134.991%0.91479%0.791SS**  trans-90.2147.6179.5-67.5-57.2000111.6
452A33.4Very low31.7Very low108 Ų108137.9 Ų137.989%0.89380%0.797SS**  trans-135132.1169.300000112.3
453R28Very low31.5Very low226 Ų226136.9 Ų136.985%0.85379%0.794SS**  trans-107.7152.9173.4-139.5-174.4-167.6172.20.9107.7
454P35.4Very low31.7Very low127 Ų127135 Ų13583%0.82579%0.792SS**  trans-89.3143.2151.82.516.8000109.9
455S32.1Very low31.7Very low107 Ų107133.2 Ų133.275%0.74879%0.792SS**  trans-162126175.852.20000112
456A36.2Very low31.6Very low85 Ų85137.3 Ų137.370%0.70280%0.803SS**  trans-175.2147.8170.400000107.7
457D34.9Very low31.6Very low146 Ų146139.5 Ų139.578%0.78181%0.81SS**  cis-161153.5-11.1-98.6-29.5000110.8
458S35.1Very low31.8Very low111 Ų111136.3 Ų136.378%0.77680%0.799SS**  trans62.9162.6155.7-61.10000121.3
459L31.8Very low31.8Very low170 Ų170138.6 Ų138.689%0.8980%0.799SS**  cis-168.9144.9-41.8-163.473.9000109.1
460G32.6Very low32.2Very low64 Ų64139.4 Ų139.466%0.6679%0.79SS**  trans86.1125.4172.200000114.2
461T28.4Very low32.1Very low133 Ų133139.6 Ų139.682%0.81678%0.781SS**  cis85.699.420-43.30000115.7
462L32.8Very low32.2Very low170 Ų170138.3 Ų138.389%0.8977%0.774SS**  trans-164.6144.7139.1-113.9165.7000111.6
463D27.3Very low32.1Very low143 Ų143139 Ų13977%0.76577%0.773SS**  trans-99.1-161.7-174.4-57.6-86.9000113.3
464S31.6Very low32Very low110 Ų110133.6 Ų133.677%0.76977%0.768SS**  trans83113.4172.1-70.70000117
465V31.3Very low31.9Very low130 Ų130135.7 Ų135.779%0.78877%0.772SS**  86.6108.358.9166.60000112.8
466Y31.1Very low31.8Very low221 Ų221137.9 Ų137.987%0.86778%0.776SS**  -162.7166.1111.4-147.1-101.9000111
467Q30Very low31.7Very low170 Ų170139.8 Ų139.879%0.79478%0.784SS**  trans-126.5-167.2-173.9-126-151.5-19.900112
468P36.8Very low31.7Very low90 Ų90136.4 Ų136.458%0.58478%0.783SS**  trans-100.2-176.2-147.644.2-38.8000114
469H32.9Very low31.6Very low161 Ų161140.5 Ų140.575%0.74579%0.787SS**  trans-166.4149140.5-93.1-63000112.8
470H34.1Very low31.5Very low143 Ų143138.2 Ų138.266%0.66278%0.78SS**  trans30.1154.8140.9-58.5-39.8000123.3
471Q31.5Very low31.2Very low146 Ų146142.6 Ų142.668%0.68279%0.788SS**  cis-165.6162.1-14.9-115.5166.4-15.600110.6
472N28.3Very low31.5Very low143 Ų143142.6 Ų142.677%0.76579%0.787SS**  trans12.3130.7149.5-50-3000120.4
473S32.1Very low31.3Very low123 Ų123141.6 Ų141.686%0.8678%0.783SS**  -176.8167.5100.3-1600000112.3
474C25.2Very low31.6Very low113 Ų113141.5 Ų141.576%0.76479%0.787SS**  trans-100.9160.6-174.5-53.70000113.4
475N34.9Very low31.5Very low170 Ų170140.8 Ų140.891%0.90979%0.788SS**  trans-165.3149.4138.5-103.1-37.4000113
476N28.8Very low31.6Very low153 Ų153140.1 Ų140.182%0.81879%0.79SS**  trans-90.4148.8177.5-81.3-38.4000112.1
477S34.7Very low31.5Very low125 Ų125136.9 Ų136.987%0.87479%0.786SS**  168.1140.8126.4-79.80000114.6
478G35.6Very low31.5Very low75 Ų75133.2 Ų133.277%0.77378%0.778SS**  trans84.5151.5165.600000116.2
479K31.5Very low31.3Very low198 Ų198135.7 Ų135.786%0.86179%0.786SS**  cis168.4119.6-31.4-112.6-166.9176.1-175.40105.7
480V29.2Very low31.2Very low122 Ų122132.8 Ų132.874%0.73978%0.784SS**  trans78.1129.1144.1-179.20000120.3
481L28Very low31.1Very low156 Ų156129 Ų12982%0.81778%0.783SS**  trans64.3142.1171-97.768.6000115.8
482V34.4Very low31.2Very low132 Ų132131.6 Ų131.680%0.879%0.787SS**  cis-139.7155.229.3169.40000111.7
483D28.5Very low31.4Very low149 Ų149129.1 Ų129.180%0.79778%0.781SS**  trans-69.6137.7175-61.6-75.1000115
484T34.1Very low31.7Very low141 Ų141132.4 Ų132.487%0.86578%0.783SS**  trans-155.6138.2150.9-71.30000108.7S486T484-S486 PolarHBondContact O-N 3.41Å
485A29.3Very low32.6Very low96 Ų96133.1 Ų133.179%0.79378%0.779SS**  trans-75.7120.6-164.400000114.6
486S32Very low32.7Very low116 Ų116127.2 Ų127.281%0.81175%0.754SS**  trans-95107.216458.40000110.7T484 S488T484-S486 PolarHBondContact O-N 3.41Å; S486-S488 PolarHBondContact O-N 2.9Å
487I30.7Very low33.6Very low153 Ų153122.9 Ų122.979%0.78573%0.733SS**  trans-74.7113.1173.2-62.8175.7000108.7L489I487-L489 PolarHBondContact O-N 3.41Å
488S28.5Very low34.1Very low92 Ų92120.1 Ų120.164%0.64371%0.713SS**  trans-73.9120.1176.1-169.30000111.2S486 S490S486-S488 PolarHBondContact O-N 2.9Å; S488-S490 PolarHBondContact O-N 2.97Å; S488-S490 WeakPolarHBondContact OG-CB 3.41Å; S488-S490 PolarHBondContact OG-N 2.99Å; S488-S490 PolarHBondContact OG-OG 3.14Å
489L33.6Very low34.7Very low142 Ų142121.2 Ų121.274%0.74370%0.701SS**  trans-82.29.9174.5-84.5158.5000113.5I487 G491I487-L489 PolarHBondContact O-N 3.41Å; L489-G491 PolarHBondContact O-N 3.15Å
490S30.8Very low35.6Very low100 Ų100118.4 Ų118.470%0.69969%0.689SS**THydrogen-bonded Turntrans-73.632.1-17166.50000115.9S488S488-S490 PolarHBondContact O-N 2.97Å; S488-S490 WeakPolarHBondContact OG-CB 3.41Å; S488-S490 PolarHBondContact OG-N 2.99Å; S488-S490 PolarHBondContact OG-OG 3.14Å
491G31.5Very low36.9Very low63 Ų63113.9 Ų113.965%0.64966%0.662SS**THydrogen-bonded Turntrans-132.411.1-172.500000116L489L489-G491 PolarHBondContact O-N 3.15Å
492W34.5Very low37.9Very low202 Ų202111 Ų11177%0.76565%0.646SS**  trans-124.520-171.1-76.262.2000113.5P196P196-W492 HydrophobicContact CG-CZ3 4.45Å
493S31.5Very low39Very low91 Ų91109.5 Ų109.564%0.63663%0.634SS**  trans-99.37.1-164.156.80000117
494E38Very low40.4Very low191 Ų191111.3 Ų111.389%0.89363%0.629SS**  trans-80-19-179-62.3-161149.300114.1A496E494-A496 PolarHBondContact O-N 2.85Å
495D44Very low41.1Very low128 Ų128108.5 Ų108.568%0.68461%0.609SS**  trans-76.461.6177-87.4-30.3000112.8V497 S498D495-V497 PolarHBondContact O-N 3Å; D495-S498 PolarHBondContact O-N 3.3Å
496A36.8Very low42.7Very low46 Ų46107.6 Ų107.638%0.3859%0.59SS.*Hα-helixtrans-57.7-13.5179.900000114.4E494 K500E494-A496 PolarHBondContact O-N 2.85Å; A496-K500 VanDerWaalsContact O-CB 3.31Å; A496-K500 WeakPolarHBondContact O-CB 3.34Å; A496-K500 WeakPolarHBondContact O-CD 3.47Å; A496-K500 WeakPolarHBondContact O-CG 3.37Å; A496-K500 PolarHBondContact O-N 3.3Å
497V48.3Very low43.4Very low62 Ų62103.8 Ų103.838%0.37657%0.569SS.*Hα-helixtrans-72.4-37.6174-1780000111.7F203 V218 D495 T501F203-V497 HydrophobicContact CE2-CG1 4.08Å; F203-V497 HydrophobicContact CZ-CG1 4Å; V218-V497 HydrophobicContact CG1-CG1 4.15Å; V218-V497 HydrophobicContact CG1-CG2 3.91Å; D495-V497 PolarHBondContact O-N 3Å; V497-T501 WeakPolarHBondContact O-CB 3.46Å; V497-T501 PolarHBondContact O-N 3.48Å; V497-T501 VanDerWaalsContact O-N 3.13Å; V497-T501 PolarHBondContact O-OG1 2.89Å
498S46.4Very low44.2Very low67 Ų67103.2 Ų103.247%0.46957%0.566SS.*Hα-helixtrans-72.6-51-174.6-163.80000111D495 T501 L502D495-S498 PolarHBondContact O-N 3.3Å; S498-T501 WeakPolarHBondContact O-CB 3.35Å; S498-T501 PolarHBondContact O-N 2.85Å; S498-T501 VanDerWaalsContact O-N 3.13Å; S498-L502 PolarHBondContact O-N 2.7Å
499L46.2Very low45Very low98 Ų98104.2 Ų104.251%0.51357%0.569SS.*Hα-helixtrans-59.4-48.8175.6-79163.5000112.2T501 L502 D503L499-T501 PolarHBondContact O-N 3.06Å; L499-T501 VanDerWaalsContact O-N 3.14Å; L499-L502 WeakPolarHBondContact O-CA 3.43Å; L499-L502 WeakPolarHBondContact O-CB 3.39Å; L499-L502 PolarHBondContact O-N 2.8Å; L499-D503 PolarHBondContact O-N 2.87Å
500K51Low45.4Very low140 Ų140106.5 Ų106.561%0.60957%0.567SS**Hα-helixtrans-64.2-20.4177.6-69175.7-176174.30113.7A496 R504A496-K500 VanDerWaalsContact O-CB 3.31Å; A496-K500 WeakPolarHBondContact O-CB 3.34Å; A496-K500 WeakPolarHBondContact O-CD 3.47Å; A496-K500 WeakPolarHBondContact O-CG 3.37Å; A496-K500 PolarHBondContact O-N 3.3Å; K500-R504 WeakPolarHBondContact O-CG 3.45Å; K500-R504 PolarHBondContact O-N 3.22Å
501T57.1Low45.9Very low27 Ų27109.3 Ų109.317%0.16657%0.569CS.*Hα-helixtrans-81.2-41.9170.8-570000110.9F203 V497 S498 L499 R504 L505F203-T501 HydrophobicContact CD2-CG2 4.2Å; V497-T501 WeakPolarHBondContact O-CB 3.46Å; V497-T501 PolarHBondContact O-N 3.48Å; V497-T501 VanDerWaalsContact O-N 3.13Å; V497-T501 PolarHBondContact O-OG1 2.89Å; S498-T501 WeakPolarHBondContact O-CB 3.35Å; S498-T501 PolarHBondContact O-N 2.85Å; S498-T501 VanDerWaalsContact O-N 3.13Å; L499-T501 PolarHBondContact O-N 3.06Å; L499-T501 VanDerWaalsContact O-N 3.14Å; T501-R504 PolarHBondContact O-N 3.26Å; T501-L505 HydrophobicContact CG2-CD1 4.18Å; T501-L505 WeakPolarHBondContact O-CG 3.5Å; T501-L505 PolarHBondContact O-N 3.16Å
502L48.5Very low46.2Very low95 Ų95113.7 Ų113.750%0.49757%0.572SS.*Hα-helixtrans-58.8-48.4174.2-159.285.8000111S498 L499 R504 L505 I506S498-L502 PolarHBondContact O-N 2.7Å; L499-L502 WeakPolarHBondContact O-CA 3.43Å; L499-L502 WeakPolarHBondContact O-CB 3.39Å; L499-L502 PolarHBondContact O-N 2.8Å; L502-R504 VanDerWaalsContact C-N 3.25Å; L502-R504 PolarHBondContact O-N 2.88Å; L502-L505 PolarHBondContact O-N 3.46Å; L502-L505 VanDerWaalsContact O-N 3.08Å; L502-I506 HydrophobicContact CD2-CD1 4.04Å; L502-I506 HydrophobicContact CG-CD1 3.95Å; L502-I506 WeakPolarHBondContact O-CG1 3.37Å; L502-I506 PolarHBondContact O-N 2.58Å
503D57Low46.1Very low100 Ų100112.4 Ų112.454%0.53558%0.575SS.*Hα-helixtrans-58-37.1176.1-67.1-28.3000112L499 G507L499-D503 PolarHBondContact O-N 2.87Å; D503-G507 WeakPolarHBondContact O-CA 3.47Å; D503-G507 PolarHBondContact O-N 2.97Å
504R58.8Low46.4Very low187 Ų187113.1 Ų113.171%0.70658%0.577SS**Hα-helixtrans-73.5-34.2175.6-79-175.8172.3-152.7-3.1113K500 T501 L502 I508K500-R504 WeakPolarHBondContact O-CG 3.45Å; K500-R504 PolarHBondContact O-N 3.22Å; T501-R504 PolarHBondContact O-N 3.26Å; L502-R504 VanDerWaalsContact C-N 3.25Å; L502-R504 PolarHBondContact O-N 2.88Å; R504-I508 WeakPolarHBondContact O-CB 3.22Å; R504-I508 WeakPolarHBondContact O-CD1 3.37Å; R504-I508 WeakPolarHBondContact O-CG1 3.47Å; R504-I508 PolarHBondContact O-N 3.33Å
505L48.9Very low46.2Very low83 Ų83110.7 Ų110.744%0.43558%0.575SS.*Hα-helixtrans-71.1-38174.4-69.5168.1000111.7T501 L502 T509T501-L505 HydrophobicContact CG2-CD1 4.18Å; T501-L505 WeakPolarHBondContact O-CG 3.5Å; T501-L505 PolarHBondContact O-N 3.16Å; L502-L505 PolarHBondContact O-N 3.46Å; L502-L505 VanDerWaalsContact O-N 3.08Å; L505-T509 PolarHBondContact O-N 3.32Å; L505-T509 PolarHBondContact O-OG1 2.91Å
506I62.4Low45.7Very low76 Ų76112.7 Ų112.739%0.3958%0.584SS.*Hα-helixtrans-69.5-40173.1-65.2167.7000110.5L502 T509 R510L502-I506 HydrophobicContact CD2-CD1 4.04Å; L502-I506 HydrophobicContact CG-CD1 3.95Å; L502-I506 WeakPolarHBondContact O-CG1 3.37Å; L502-I506 PolarHBondContact O-N 2.58Å; I506-T509 WeakPolarHBondContact CA-OG1 3.19Å; I506-T509 CarbonylContact O-C 3.53Å; I506-T509 PolarHBondContact O-N 2.91Å; I506-T509 PolarHBondContact O-OG1 3.49Å; I506-R510 WeakPolarHBondContact O-CB 3.24Å; I506-R510 PolarHBondContact O-N 3.45Å
507G46.6Very low45.5Very low37 Ų37113.9 Ų113.938%0.38160%0.601SS.*Hα-helixtrans-66.2-37.5174.700000113.6D503 T509 R510 H511D503-G507 WeakPolarHBondContact O-CA 3.47Å; D503-G507 PolarHBondContact O-N 2.97Å; G507-T509 VanDerWaalsContact C-N 3.25Å; G507-T509 PolarHBondContact O-N 2.89Å; G507-R510 CarbonylContact O-C 3.59Å; G507-R510 PolarHBondContact O-N 2.85Å; G507-R510 VanDerWaalsContact O-N 3.1Å; G507-H511 PolarHBondContact O-N 3.48Å
508I47.9Very low44.8Very low141 Ų141114 Ų11472%0.72361%0.614SS**Hα-helixtrans-66.6-28173.5-74.1164.1000111.7R504R504-I508 WeakPolarHBondContact O-CB 3.22Å; R504-I508 WeakPolarHBondContact O-CD1 3.37Å; R504-I508 WeakPolarHBondContact O-CG1 3.47Å; R504-I508 PolarHBondContact O-N 3.33Å
509T46.4Very low44.3Very low113 Ų113118.5 Ų118.569%0.69363%0.633SS**THydrogen-bonded Turntrans-89.8-3.517345.80000113.5L505 I506 G507L505-T509 PolarHBondContact O-N 3.32Å; L505-T509 PolarHBondContact O-OG1 2.91Å; I506-T509 WeakPolarHBondContact CA-OG1 3.19Å; I506-T509 CarbonylContact O-C 3.53Å; I506-T509 PolarHBondContact O-N 2.91Å; I506-T509 PolarHBondContact O-OG1 3.49Å; G507-T509 VanDerWaalsContact C-N 3.25Å; G507-T509 PolarHBondContact O-N 2.89Å
510R41.4Very low43.8Very low189 Ų189121.8 Ų121.871%0.71365%0.651SS**SBendtrans-147.568.3178.3-60.6-174.5-174.3-176.92.3112.5I506 G507I506-R510 WeakPolarHBondContact O-CB 3.24Å; I506-R510 PolarHBondContact O-N 3.45Å; G507-R510 CarbonylContact O-C 3.59Å; G507-R510 PolarHBondContact O-N 2.85Å; G507-R510 VanDerWaalsContact O-N 3.1Å
511H40Very low43.1Very low159 Ų159120.8 Ų120.874%0.73666%0.662SS**SBendtrans-177.3145.7141.9-104.3-73.6000113G507G507-H511 PolarHBondContact O-N 3.48Å
512H38.2Very low42.1Very low155 Ų155124.2 Ų124.272%0.71869%0.693SS**  trans49.687.9164.4-65.6-66.9000119.5P514H512-P514 WeakPolarHBondContact O-CD 3.34Å
513H32.3Very low41.3Very low176 Ų176127.7 Ų127.782%0.81571%0.71SS**PPolyproline II helixtrans-49.5122140.4-143.6-68.9000109.9
514P38.3Very low40.1Very low105 Ų105127.6 Ų127.668%0.68272%0.723SS**PPolyproline II helixtrans-76.9131.2168.530.3-31.6000109.4H512 I516H512-P514 WeakPolarHBondContact O-CD 3.34Å; P514-I516 PolarHBondContact O-N 3.42Å
515T33.3Very low38.8Very low141 Ų141124.7 Ų124.787%0.86573%0.727SS**PPolyproline II helixtrans-79.2119.5-179.3-28.60000110G517T515-G517 PolarHBondContact O-N 3.13Å; T515-G517 VanDerWaalsContact O-N 3.12Å
516I33.9Very low38Very low170 Ų170125.3 Ų125.387%0.87274%0.738SS**  trans-84.387.8177.3-56.4177.2000109.4P514P514-I516 PolarHBondContact O-N 3.42Å
517G33.2Very low36.7Very low70 Ų70129.4 Ų129.472%0.72276%0.759SS**  trans-98148.4142.600000108T515T515-G517 PolarHBondContact O-N 3.13Å; T515-G517 VanDerWaalsContact O-N 3.12Å
518G33.1Very low36Very low64 Ų64131.2 Ų131.266%0.6678%0.778SS**  cis156.396.37.300000106.1D520G518-D520 PolarHBondContact O-N 2.76Å
519N35.3Very low35.4Very low162 Ų162128.4 Ų128.487%0.86678%0.784SS**  trans-78.2120.2-165.9-61.6-12.5000111.4
520D37.2Very low34.8Very low168 Ų168127.3 Ų127.390%0.89880%0.795SS**  trans-127.7109.2155.7-88.9-51.8000109.5G518G518-D520 PolarHBondContact O-N 2.76Å
521S35.2Very low34.4Very low118 Ų118122.1 Ų122.183%0.82580%0.8SS**  trans-109.688.2-178.859.50000110.5
522A35.5Very low34.2Very low100 Ų100118.5 Ų118.583%0.82681%0.806SS**  trans-105.2108.6172.400000110.1
523I31.7Very low34Very low167 Ų167115.2 Ų115.286%0.85681%0.814SS**  trans-90.8113.8173-62174.6000108.3
524A33.2Very low34Very low98 Ų98110.8 Ų110.881%0.8182%0.816SS**  trans-141.3132.1166.400000109.5
525T31.4Very low33.6Very low127 Ų127109.7 Ų109.778%0.77982%0.823SS**  trans-95.3155.9-172-490000111.6
526S31.4Very low33.6Very low95 Ų95108.1 Ų108.166%0.66482%0.818SS**  trans99.9141.7149.484.90000119.6
527I34.6Very low33.6Very low162 Ų162105.7 Ų105.783%0.83182%0.817SS**  trans66.1101.7155.1-56.9155.2000118
528G33.6Very low33.4Very low75 Ų75105.8 Ų105.877%0.77382%0.817SS**  93.6103.4113.500000120.7
529G34Very low33.4Very low83 Ų83108.6 Ų108.686%0.85682%0.824SS**  trans90.5117.913200000119.6
530G34.3Very low33.1Very low89 Ų89107.4 Ų107.492%0.91882%0.822SS**  trans79161.1166.600000115.4
531G33.7Very low32.6Very low80 Ų80109.7 Ų109.783%0.82582%0.82SS**  cis166.2102-6.200000112.3
532G34.2Very low32.2Very low83 Ų83111.7 Ų111.786%0.85682%0.821SS**  trans80.4158.9-173.800000113.6
533G33.7Very low31.8Very low87 Ų87113.4 Ų113.490%0.89782%0.821SS**  cis145.8103.1-900000113.5
534G33Very low31.8Very low82 Ų82111.8 Ų111.885%0.84582%0.819SS**  trans153.2125.4168.500000115.6
535G31.1Very low31.6Very low82 Ų82115.8 Ų115.885%0.84582%0.82SS**  trans77.2154.3170.300000116.3
536S32.9Very low31.3Very low108 Ų108120.1 Ų120.176%0.75582%0.823SS**  cis-163.5143.2-17.2520000110.9
537S32.5Very low31.2Very low120 Ų120123.2 Ų123.284%0.83983%0.83SS**  trans42.895155.959.10000118.9
538G28.8Very low31.1Very low71 Ų71121.1 Ų121.173%0.73282%0.817SS**  trans-104.5148.7158.400000111.5
539P33.6Very low31Very low123 Ų123126.5 Ų126.580%0.79982%0.822SS**PPolyproline II helixtrans-77.9154.3-173.931.2-35.7000114.2
540T29.6Very low30.9Very low137 Ų137128.9 Ų128.984%0.8482%0.815SS**PPolyproline II helixtrans-63.4129.5-175.6-44.40000113.7
541Y26.8Very low30.7Very low216 Ų216128.1 Ų128.185%0.84781%0.807SS**PPolyproline II helixtrans-80119.9164-84.4-97.3000110.4T543Y541-T543 PolarHBondContact O-N 2.95Å
542L27.3Very low30.5Very low160 Ų160132.9 Ų132.984%0.83881%0.808SS**  trans-74.5114.2166.8-86167.8000110.1V544L542-V544 PolarHBondContact O-N 3.31Å
543T27.1Very low30.3Very low136 Ų136134.2 Ų134.283%0.83480%0.804SS**  trans-70.8106.9167.1460000109.9Y541Y541-T543 PolarHBondContact O-N 2.95Å
544V30.6Very low30.2Very low133 Ų133137.1 Ų137.181%0.80680%0.798SS**  trans-90.4127.7164179.90000107.9L542L542-V544 PolarHBondContact O-N 3.31Å
545E28.9Very low30Very low182 Ų182140.3 Ų140.385%0.8579%0.794SS**  trans-61.2145-175.4-69.5176.695.200113I547E545-I547 PolarHBondContact O-N 3.09Å
546R26Very low30.1Very low218 Ų218142.6 Ų142.682%0.82379%0.787SS**  trans-82.2109.9162.7-62.9-171.2-165112.93.2108.4Q548R546-Q548 HydrophobicContact CB-CB 4.43Å; R546-Q548 PolarHBondContact O-N 3.5Å
547I29.2Very low29.9Very low161 Ų161142.3 Ų142.383%0.82679%0.785SS**  trans-68.695.3150.1-60.9178.3000106E545 E549E545-I547 PolarHBondContact O-N 3.09Å; I547-E549 HydrophobicContact CG2-CG 4.48Å
548Q31.5Very low29.9Very low118 Ų118142 Ų14255%0.55178%0.783SS**  trans-99.4100.1173.4-178.9176.7-48.200107.5R546 N550R546-Q548 HydrophobicContact CB-CB 4.43Å; R546-Q548 PolarHBondContact O-N 3.5Å; Q548-N550 VanDerWaalsContact C-N 3.34Å; Q548-N550 PolarHBondContact NE2-OD1 2.93Å; Q548-N550 PolarHBondContact O-N 2.86Å
549E32.1Very low30Very low188 Ų188145.6 Ų145.688%0.87979%0.791SS**  trans-66.394.6171.4-68.6-178.115000109.3I547I547-E549 HydrophobicContact CG2-CG 4.48Å
550N31.5Very low29.9Very low133 Ų133145.1 Ų145.171%0.71179%0.79SS**  trans-83.7135.4166.3-69.6-33.9000108.9Q548Q548-N550 VanDerWaalsContact C-N 3.34Å; Q548-N550 PolarHBondContact NE2-OD1 2.93Å; Q548-N550 PolarHBondContact O-N 2.86Å
551G30.8Very low29.9Very low73 Ų73144.6 Ų144.675%0.75379%0.787SS**  trans145.8118179.900000111
552E30.4Very low30.1Very low180 Ų180141.6 Ų141.684%0.84179%0.785SS**  cis-136.1137-1.7-65.3173.4111.300109.8
553S29.7Very low30.3Very low110 Ų110140.2 Ų140.277%0.76978%0.778SS**  trans-101.291.3163.756.80000108.7I555S553-I555 PolarHBondContact O-N 2.93Å
554L31.5Very low30.6Very low148 Ų148144.4 Ų144.478%0.77578%0.779SS**  trans-71.294.2170.9-88.2166.2000109.8
555I29.3Very low30.6Very low149 Ų149144 Ų14476%0.76477%0.772SS**  trans-75.6119.7153.1-62.1171.9000105.8S553S553-I555 PolarHBondContact O-N 2.93Å
556D32.2Very low30.8Very low130 Ų130141.5 Ų141.570%0.69576%0.763SS**  trans-144.295.4160.5-141.9-8.7000113.7
557S28.3Very low31.2Very low102 Ų102136.6 Ų136.671%0.71376%0.76SS**  trans3285.8130.7-32.10000119.8
558S33.7Very low31.2Very low114 Ų114134.4 Ų134.480%0.79775%0.754SS**  trans-153.679.5154.363.60000113.3
559T29.2Very low31.2Very low146 Ų146136.1 Ų136.190%0.89677%0.767SS**  trans-106.3103.3176.650.30000112.6
560S31.8Very low31.2Very low113 Ų113134.7 Ų134.779%0.7976%0.76SS**  trans-173.1140.4160.5550000109.1
561V30.1Very low31.2Very low127 Ų127135.6 Ų135.677%0.7777%0.765SS**  cis167.1167.8-12.7126.30000103.7
562L31.8Very low31.2Very low152 Ų152137.7 Ų137.780%0.79677%0.768SS**  trans78138.9173.1-122.769.6000116
563D30.8Very low31Very low131 Ų131134.7 Ų134.770%0.70176%0.762SS**  cis168.2162.7-43.7-103.7-53.1000107.3
564R32.5Very low31.2Very low224 Ų224137.9 Ų137.985%0.84577%0.765SS**  trans116.1133.7169.7-66.1165.1-172.3-149.93.3112.8
565N32.4Very low30.9Very low126 Ų126139.4 Ų139.467%0.67477%0.766SS**  cis-164.5133.8-18.6-104.5-6.2000105.2
566I32Very low30.9Very low128 Ų128141.3 Ų141.366%0.65677%0.769SS**  60.4127.290.4-65.4177.4000112T568I566-T568 HydrophobicContact CG1-CG2 4.44Å; I566-T568 HydrophobicContact CG2-CG2 4.04Å
567P33.9Very low30.5Very low116 Ų116140.4 Ų140.475%0.75376%0.764SS**  cis-115.4149.837.123.5-3.3000114.8
568T29.1Very low30.7Very low114 Ų114144.6 Ų144.670%0.69977%0.77SS**  cis69.5104.146.669.50000115.7I566I566-T568 HydrophobicContact CG1-CG2 4.44Å; I566-T568 HydrophobicContact CG2-CG2 4.04Å
569D31.9Very low30.6Very low155 Ų155145.7 Ų145.783%0.82977%0.766SS**  trans-146.2172.4147.4-142-28000109.9
570Q32.6Very low30.5Very low158 Ų158142.3 Ų142.374%0.73876%0.761SS**  trans-94161-147.4-57.4176.9-83.700118.3
571D30.4Very low30.8Very low152 Ų152142.8 Ų142.881%0.81376%0.761SS**  trans65.6149.4149.8-67.7-12.3000119.9
572S31.6Very low30.8Very low117 Ų117143.9 Ų143.982%0.81876%0.758SS**  cis-153-179.2741.40000112.7
573T27.2Very low30.8Very low116 Ų116145.4 Ų145.471%0.71276%0.763SS**  trans-93.1143.2-168.554.50000117
574Q32.6Very low30.7Very low177 Ų177144.7 Ų144.783%0.82776%0.759SS**  trans-175.9116.5134.1-102.8154.989.900109
575F25Very low30.7Very low181 Ų181140.6 Ų140.679%0.79475%0.754SS**  55.9105.365.2-100.6-80.9000115.7
576F29.5Very low30.7Very low189 Ų189143.9 Ų143.983%0.82976%0.758SS**  -151.5145.3129.1-104.3-70.8000110.1
577N25.1Very low30.8Very low111 Ų111143.8 Ų143.859%0.59476%0.764SS**  trans-152.3143.5-173.8-170.515.4000108.6
578F31.1Very low30.5Very low190 Ų190142 Ų14283%0.83377%0.766SS**  trans-145.2136.2178.2-104.6-80.8000112.1
579N31.4Very low30.7Very low136 Ų136145 Ų14573%0.72778%0.776SS**  trans-124.5140-164.7-68-50.9000113.6
580G28.7Very low30.7Very low75 Ų75145.5 Ų145.577%0.77378%0.778SS**  trans58.1-164.2149.400000118
581P37Very low30.9Very low123 Ų123143.5 Ų143.580%0.79978%0.779SS**  cis-99.1159.3-14.936.8-27.1000111.5
582H30.4Very low31.2Very low151 Ų151142.5 Ų142.570%0.69978%0.779SS**  73.1110.650.8-145.7-45.7000114.8N584H582-N584 PolarHBondContact CE1-OD1 2.66Å; H582-N584 VanDerWaalsContact CE1-OD1 3.3Å
583M31.3Very low31.3Very low183 Ų183141.3 Ų141.390%0.90177%0.77SS**  trans-157.5143156.8-98.8-60.6176.800108.5
584N29Very low31.6Very low117 Ų117142.4 Ų142.463%0.62678%0.777SS**  trans-103.2175.5178.8-52.3-39.4000109.9H582H582-N584 PolarHBondContact CE1-OD1 2.66Å; H582-N584 VanDerWaalsContact CE1-OD1 3.3Å
585D33.4Very low31.7Very low138 Ų138138 Ų13874%0.73877%0.771SS**  178.9152.7115.4-103.53.1000117.5
586Y31.6Very low32.1Very low194 Ų194136.3 Ų136.376%0.76177%0.77SS**  trans38.1100.6164.5-69.8-99.4000119.4
587T34.5Very low32.3Very low127 Ų127132.2 Ų132.278%0.77976%0.764SS**  70.8123.275.866.20000116
588G28.1Very low32.7Very low78 Ų78135.1 Ų135.180%0.80478%0.778SS**  trans-89.5-160.3-16700000118.5
589I33.5Very low32.9Very low177 Ų177130 Ų13091%0.90877%0.766SS**  trans-151.4158.5173.7-104158.6000109.8
590L31Very low33.1Very low165 Ų165132.2 Ų132.286%0.86477%0.772SS**  trans-82.7162.8-169.3-131.855.1000113.2
591P36.4Very low33.3Very low117 Ų117136.1 Ų136.176%0.7677%0.77SS**  trans-101.3154.6-17337.3-29.6000115
592T36.8Very low33.1Very low131 Ų131139.8 Ų139.880%0.80477%0.774SS**  trans-151.2142170.150.60000107.2
593S33.2Very low33.1Very low92 Ų92136.5 Ų136.564%0.64376%0.764SS**  cis156.4159.4-10.949.60000105.7
594T33.2Very low33.4Very low139 Ų139136.2 Ų136.285%0.85376%0.76SS**  trans78.1149.3164.168.20000120.9
595A36.3Very low33.7Very low84 Ų84135.9 Ų135.969%0.69476%0.763SS**  trans67.5134.617000000119.7
596D33.4Very low33.7Very low146 Ų146137.5 Ų137.578%0.78177%0.77SS**  cis-159.3142.8-24.8-91-39.6000106
597S32.6Very low33.7Very low102 Ų102133.5 Ų133.571%0.71377%0.768SS**  cis84.398.238.3-710000115.4
598I34.7Very low33.7Very low173 Ų173135.3 Ų135.389%0.88777%0.772SS**  trans168.8137.9159-96.1152.6000108.5
599S35.1Very low33.9Very low82 Ų82136.8 Ų136.857%0.57377%0.77SS**  cis-160.9136.5-13.957.30000112.5
600Q35.6Very low33.8Very low183 Ų183137 Ų13786%0.85577%0.767SS**  46.8129.7129.4-59.8159.42.600120.4
601H32Very low34Very low157 Ų157138.3 Ų138.373%0.72777%0.769SS**  cis91.810735-149.8-69.4000114.9
602F33.2Very low33.8Very low200 Ų200140.2 Ų140.288%0.87777%0.773SS**  trans-165.8104.6162.4-99.1-76.6000107.1
603T31.2Very low33.6Very low81 Ų81141.7 Ų141.750%0.49777%0.774SS.*  62.696.258.168.50000117.2
604H37.2Very low33.6Very low178 Ų178143.2 Ų143.282%0.82478%0.779SS**  trans-155.4108.1141.2-90.4-62000107.1
605T34Very low33.3Very low110 Ų110148.2 Ų148.268%0.67578%0.783SS**  69.68961.771.30000115.5
606L34.2Very low33.2Very low172 Ų172149.4 Ų149.490%0.90179%0.786SS**  trans-176129.2133.9-101.2153.8000110.6
607P31.8Very low33.2Very low110 Ų110148.8 Ų148.871%0.71479%0.79SS**  trans-104.3168.7178.539.5-34.2000113.1
608L33.7Very low33.2Very low164 Ų164147.3 Ų147.386%0.85979%0.79SS**  trans-179.2157.4130.2-100.9164.8000114.6
609S33Very low33Very low110 Ų110148.3 Ų148.377%0.76979%0.791SS**  trans52.5114.2161.557.10000120.6
610Q32.2Very low32.8Very low181 Ų181151.7 Ų151.785%0.84680%0.803SS**  trans-83.3151158.5-60.1160.2-67.800110.9
611Q35.5Very low32.6Very low193 Ų193150.7 Ų150.790%0.90280%0.804SS**  trans-137.9134148.4-77.7-166.8-20.900109.7
612N31.6Very low32.5Very low157 Ų157148 Ų14884%0.8480%0.803SS**  trans-81.4136178.2-77.5-41.6000110.8
613I32.5Very low32.3Very low162 Ų162148.7 Ų148.783%0.83180%0.801SS**  trans-118.5123.4164-63.5-179.3000108.3
614V31.9Very low32.1Very low124 Ų124150 Ų15075%0.75281%0.812SS**  trans-70.2134.8-176.4177.20000110.7
615R27.9Very low31.8Very low244 Ų244148.3 Ų148.392%0.92181%0.809SS**  trans-94.4126164.4-72-175176.5-174.7-0.4109.8
616S33.6Very low31.6Very low108 Ų108152.2 Ų152.276%0.75582%0.817SS**  trans-108.4146.4165-61.20000109.9
617P34.1Very low31.5Very low134 Ų134154.8 Ų154.887%0.8782%0.816SS**  trans-87.9145-162.833.4-36.1000114.6
618G31.3Very low31.5Very low70 Ų70156.8 Ų156.872%0.72282%0.821SS**  trans-158.8143.9169.400000110.8
619E31.8Very low31.5Very low195 Ų195152.6 Ų152.691%0.91182%0.817SS**  trans51.683.7178.7-64.1-163.510500117.5D621E619-D621 PolarHBondContact O-N 3.27Å
620N31.5Very low31.4Very low153 Ų153152.4 Ų152.482%0.81882%0.816SS**  trans-72114160.5-68.6-16.9000110.8
621D29.6Very low31.2Very low162 Ų162150.7 Ų150.787%0.86682%0.818SS**  17776.8122-93.9-0.7000109.9E619E619-D621 PolarHBondContact O-N 3.27Å
622S29.7Very low31.1Very low101 Ų101147.7 Ų147.771%0.70681%0.813SS**  trans-153.5169.9171.9690000112.9
623Y30.2Very low30.9Very low213 Ų213143.7 Ų143.784%0.83581%0.808SS**  trans81.8130.5172.6-87.3-86.8000120.7
624C26.9Very low30.9Very low108 Ų108143.1 Ų143.173%0.7381%0.812SS**  trans-70.8169.1154.1-44.40000109.5
625N31.5Very low30.8Very low143 Ų143145.4 Ų145.477%0.76582%0.818SS**  trans-156.2145.4133.7-98.8-21.8000110.3
626F29.7Very low31.1Very low192 Ų192137 Ų13784%0.84281%0.808SS**  trans-67.4154.9159.5-93.8-121.1000109.2
627Y31.8Very low31.2Very low226 Ų226138.1 Ų138.189%0.88681%0.805SS**  trans-127.5107.8159.6-101.8-81.6000108.3
628D31.2Very low31.2Very low153 Ų153139.2 Ų139.282%0.81880%0.798SS**  trans-71.8127.7159.1-86.1-56.2000108.8
629G33.9Very low31.5Very low75 Ų75141.6 Ų141.677%0.77380%0.799SS**  trans-10892.3175.200000110.3V631G629-V631 PolarHBondContact O-N 3.18Å
630S31.3Very low31.7Very low107 Ų107137.9 Ų137.975%0.74880%0.795SS**  trans-65.5128-173.555.70000113.7T632S630-T632 PolarHBondContact O-N 3.2Å
631V27.1Very low31.9Very low145 Ų145134 Ų13488%0.87979%0.791SS**  trans-69.7115.3168.71770000110.2G629G629-V631 PolarHBondContact O-N 3.18Å
632T34.5Very low32.3Very low130 Ų130132.5 Ų132.580%0.79879%0.788SS**  trans-142.1148.1157.452.40000109.1S630S630-T632 PolarHBondContact O-N 3.2Å
633G27.5Very low32.6Very low72 Ų72133.9 Ų133.974%0.74279%0.792SS**  trans-152139.6177.200000111.2
634V31.9Very low32.9Very low151 Ų151127.1 Ų127.192%0.91579%0.787SS**  trans-141.1158.7174.4-1760000108.1
635I30.1Very low33.3Very low172 Ų172128.6 Ų128.688%0.88279%0.786SS**  trans-112147.4-157.8-64.6163.3000112.4
636G33Very low33.4Very low68 Ų68128.6 Ų128.670%0.70179%0.786SS**  trans105.5160.6153.200000117.2
637N35.9Very low33.6Very low131 Ų131124.7 Ų124.770%0.70178%0.778SS**  cis-166.5148.5-11.6-159.827.2000111.5
638E34.6Very low33.8Very low156 Ų156121.4 Ų121.473%0.72978%0.775SS**  trans60.2158.3160.9-70.6167.1-149.400119
639T36.9Very low34.3Very low120 Ų120119.9 Ų119.974%0.73677%0.773SS**  cis-154167.3-79.40000112.2
640S36.7Very low34.3Very low118 Ų118121.5 Ų121.583%0.82577%0.773SS**  trans7.7148.6154.7-47.60000122.1
641G36.6Very low34.4Very low72 Ų72121.2 Ų121.274%0.74277%0.771SS**  cis164.9-169.615.200000110.5
642T37.1Very low34.8Very low130 Ų130120.4 Ų120.480%0.79877%0.766SS**  cis-173.9124.1-12.9-80.60000112.6
643V36.3Very low34.6Very low130 Ų130121.2 Ų121.279%0.78877%0.765SS**  trans68.6131.6151.1173.70000125.1I645V643-I645 HydrophobicContact CG1-CD1 3.91Å
644G36Very low34.9Very low71 Ų71122.6 Ų122.673%0.73276%0.763SS**  trans140.7151.6130.600000119.7
645I35.8Very low34.9Very low138 Ų138123.1 Ų123.171%0.70876%0.76SS**  cis-170.2139.8-46.7-113.2169.7000113.1V643V643-I645 HydrophobicContact CG1-CD1 3.91Å
646N34.2Very low34.9Very low143 Ų143118.6 Ų118.677%0.76574%0.744SS**  trans66.7159.9154.4-71.95.5000122.5
647V34.1Very low34.8Very low111 Ų111122.3 Ų122.367%0.67375%0.748SS**  cis-166.4149.5-10.4129.60000115.2
648L35Very low34.6Very low157 Ų157121.3 Ų121.382%0.82275%0.747SS**  trans45.4157.2158.4-90.457.9000127.3
649P42.2Very low34.4Very low121 Ų121123.2 Ų123.279%0.78675%0.753SS**  trans-126.4-179.4176.945.5-32000116.7
650S33.7Very low34Very low109 Ų109123.5 Ų123.576%0.76275%0.75SS**  trans-163.8130.316359.50000117.2
651S33.2Very low33.8Very low101 Ų101126.1 Ų126.171%0.70675%0.749SS**  trans31.1137.3146.3620000124.3
652V35.3Very low33.5Very low127 Ų127127.8 Ų127.877%0.7775%0.745SS**  179.413496.5-82.60000116.7
653N30.9Very low33.3Very low147 Ų147128.9 Ų128.979%0.78675%0.746SS**  trans27.5135.2137.2-55-7.6000125.8
654S32.9Very low33Very low101 Ų101129.9 Ų129.971%0.70675%0.746SS**  124.5139.6111.569.90000121.7
655L32.9Very low32.9Very low162 Ų162131 Ų13185%0.84874%0.741SS**  trans62.7155.3149.2-64157.5000119.8
656S29.8Very low32.5Very low78 Ų78131.4 Ų131.455%0.54574%0.743SS.*  cis-174.5161.1-2655.80000112.3
657N31.5Very low32.2Very low145 Ų145129.5 Ų129.578%0.77574%0.742SS**  trans74.7137164.2-55.1-28.8000116.9
658T30.4Very low32.1Very low111 Ų111130.4 Ų130.468%0.68175%0.747SS**  cis110.3109.415.4-66.80000112.5
659F30.6Very low31.7Very low195 Ų195130.1 Ų130.186%0.85575%0.746SS**  -164.7162.4124.1-128.4-92.7000112.9
660N29.5Very low31.2Very low126 Ų126129.8 Ų129.867%0.67474%0.738SS**  trans-119.7146.2-172.2-57.1-54.9000113.4
661H32.5Very low30.8Very low173 Ų173131.6 Ų131.680%0.80174%0.739SS**  trans-169.4123.6136.7-112.7-84.7000106.1
662V30.7Very low30.6Very low108 Ų108136.6 Ų136.666%0.65574%0.744SS**  cis67.287.743.2-1700000112
663D32.9Very low30.1Very low153 Ų153138 Ų13882%0.81874%0.742SS**  -161.9155.7117.1-93.4-30.7000113
664N28.9Very low30.1Very low151 Ų151137.6 Ų137.681%0.80774%0.744SS**  trans-156.7165179.7-148.714.9000104.3
665P35Very low29.7Very low95 Ų95137.7 Ų137.762%0.61774%0.737SS**  cis-148.3-153.618.335.4-8000115
666L27.3Very low29.3Very low145 Ų145140.3 Ų140.376%0.75974%0.737SS**  trans82.5103.8151.8-73.2166.6000121.1
667S26.4Very low29.3Very low104 Ų104141.5 Ų141.573%0.72775%0.746SS**  46110.2129.764.50000120.5
668V31.7Very low28.9Very low129 Ų129142.3 Ų142.378%0.78275%0.75SS**  trans-126.6141.8145.7-179.90000108.5D670V668-D670 HydrophobicContact CG1-CB 4.44Å; V668-D670 WeakPolarHBondContact CG1-OD2 3.5Å
669N27.2Very low29Very low152 Ų152141.8 Ų141.881%0.81376%0.756SS**  trans-122.5106.9-179.1173.178.7000107.5
670D32.1Very low28.8Very low113 Ų113139.5 Ų139.560%0.60475%0.753SS**  trans-137.1143.6-171.5-105.6-44.4000114.9V668 Y672V668-D670 HydrophobicContact CG1-CB 4.44Å; V668-D670 WeakPolarHBondContact CG1-OD2 3.5Å; D670-Y672 HydrophobicContact CB-CD2 4.24Å; D670-Y672 HydrophobicContact CB-CE2 4.08Å
671N25.7Very low29Very low148 Ų148141.5 Ų141.579%0.79176%0.764SS**  trans-98.6127.3171.3-60.7-91000108.2
672Y28.4Very low28.8Very low206 Ų206139.2 Ų139.281%0.80876%0.758SS**  trans-113.1106.3172.6-93.9-84.7000113.5D670D670-Y672 HydrophobicContact CB-CD2 4.24Å; D670-Y672 HydrophobicContact CB-CE2 4.08Å
673H25.1Very low28.9Very low156 Ų156142.6 Ų142.672%0.72277%0.772SS**  trans-60.1144.5158.1-114.1-93.2000110.2N675H673-N675 PolarHBondContact ND1-OD1 2.92Å
674V31.6Very low28.8Very low138 Ų138140 Ų14084%0.83677%0.766SS**  trans-130.2119.3153.7-177.10000107.9
675N23.2Very low28.9Very low104 Ų104140.2 Ų140.256%0.55677%0.766SS**  trans-102.9-178.8173.6-80.2-9000109.9H673H673-N675 PolarHBondContact ND1-OD1 2.92Å
676Y24.3Very low28.8Very low216 Ų216143.7 Ų143.785%0.84777%0.772SS**  trans78.2145.6174-55.5-82.7000114.8
677S29.6Very low29.1Very low104 Ų104143.2 Ų143.273%0.72777%0.77SS**  cis-147.3171.44.8-136.50000113.8
678N24.8Very low29.5Very low162 Ų162142.5 Ų142.587%0.86677%0.765SS**  trans-58.9141.3-179.4-65-33.9000114.1
679A32.1Very low29.6Very low99 Ų99143.7 Ų143.782%0.81877%0.767SS**  trans-150.5106.1137.600000109
680N26.4Very low30.2Very low148 Ų148141.5 Ų141.579%0.79176%0.761SS**  trans-76.6140.1158.2-76.3-27.8000107.2
681D33.7Very low30.3Very low168 Ų168142.8 Ų142.890%0.89877%0.767SS**  trans-143.6132.9140.2-111.8-36.3000110.4
682N27.9Very low30.6Very low125 Ų125142.5 Ų142.567%0.66877%0.765SS**  trans-100146.9-179.5-61.2-86000108.5
683N32.9Very low30.7Very low179 Ų179138.7 Ų138.796%0.95776%0.757SS**  trans-142.9121.8147.5-104.9-53.9000110.5
684S29.8Very low31.1Very low99 Ų99137 Ų13769%0.69275%0.754SS**  trans-133.3127.8-166560000110.9
685L31.5Very low31.1Very low154 Ų154137.3 Ų137.381%0.80675%0.751SS**  trans-147136.7164.4-58.1174.2000106.5
686F32.7Very low31.7Very low168 Ų168135.4 Ų135.474%0.73776%0.755SS**  cis-159.1146.2-7.2-129.7-50.7000109.1
687N33.3Very low32Very low135 Ų135131 Ų13172%0.72275%0.752SS**  trans63.6145.3157.8-74.6-15.8000120.2
688S36.4Very low32.1Very low89 Ų89132.4 Ų132.462%0.62275%0.751SS**  cis-164.1134.2-10.7470000114.7
689N34.1Very low32.6Very low155 Ų155133.4 Ų133.483%0.82975%0.75SS**  trans78.4151.6139.5-69.6-9.9000121.8
690P38.3Very low32.7Very low105 Ų105133.4 Ų133.468%0.68274%0.741SS**  trans-138.1-159.3-139.344.2-24.7000114.1
691L34.5Very low32.8Very low140 Ų140133.3 Ų133.373%0.73374%0.74SS**  trans161.3115.6134.5-82.9178.8000108.6
692L31.5Very low33Very low142 Ų142132.5 Ų132.574%0.74374%0.741SS**  71.4141.4104.1-98.770000115.8
693I31.8Very low33.1Very low126 Ų126132.5 Ų132.565%0.64674%0.741SS**  cis-166.9152.6-5.7-150.2178000111.8
694N32.5Very low33.2Very low122 Ų122134.7 Ų134.765%0.65274%0.736SS**  trans55.1166.5154.6-70.8-8.1000121.1
695N32.4Very low33.4Very low143 Ų143136.4 Ų136.477%0.76574%0.737SS**  cis-161.2151.3-35.3-108.3-16.7000111.1
696G35.1Very low33.4Very low64 Ų64139.3 Ų139.366%0.6674%0.737SS**  trans69.3173.8156.500000117.9
697T31.5Very low33.5Very low125 Ų125135.9 Ų135.977%0.76773%0.73SS**  cis-169.1154.6-19.46.80000108.6
698N31.1Very low33.3Very low132 Ų132136.8 Ų136.871%0.70673%0.73SS**  trans61.4119159.5-52.9-19000119.4
699H34.8Very low33.1Very low183 Ų183143 Ų14385%0.84774%0.741SS**  -174.4137.598.5-107.6-78.8000112.5
700P34.6Very low32.7Very low99 Ų99140.9 Ų140.964%0.64374%0.739SS**  trans-124.6179.7177.844.4-34000114.5
701I29.2Very low32.5Very low147 Ų147142.6 Ų142.675%0.75475%0.748SS**  trans73.6122.3161.8-59.8162.5000118
702T36.1Very low32.2Very low150 Ų150141.5 Ų141.592%0.9275%0.747SS**  -153155.9128.6-30000110.5
703N31.1Very low32.3Very low125 Ų125140.6 Ų140.667%0.66875%0.747SS**  trans-156.2140.6-157.1179.610.8000112.3
704R34.8Very low32.1Very low226 Ų226141.1 Ų141.185%0.85375%0.751SS**  trans-172.4132.9158.3-97.4140-173-169.31.5108
705N33.4Very low32.1Very low135 Ų135140.8 Ų140.872%0.72275%0.754SS**  63.1140.460.4-62.5-24.1000112.1
706R31.4Very low31.9Very low214 Ų214139.4 Ų139.481%0.80875%0.751SS**  cis-155.5172.98.9-140.3-166.5173.6-179-3107
707T35.3Very low31.6Very low97 Ų97141.8 Ų141.860%0.59575%0.753SS**  cis-154.4170.418.2-38.90000111.5
708Q30Very low31.5Very low153 Ų153141 Ų14172%0.71575%0.748SS**  trans-78.1169.9169.7-55141.3-65.700112.6
709Y31.4Very low31.4Very low220 Ų220141.2 Ų141.286%0.86375%0.749SS**  -158.9153.7117.5-98.7-64.8000111.1
710S27Very low31.3Very low111 Ų111138.5 Ų138.578%0.77674%0.741SS**  trans-156.6135.2-179.7-500000109.7
711T33.2Very low31.1Very low141 Ų141140.3 Ų140.387%0.86575%0.745SS**  trans-152137.1169.3-38.40000111.3
712T28.6Very low31.3Very low116 Ų116139.5 Ų139.571%0.71275%0.752SS**  trans-82.8157.3175.343.60000112.1
713T32.6Very low31.1Very low123 Ų123135.1 Ų135.176%0.75574%0.737SS**  -175.7140.5116.621.10000113.2
714N28.7Very low31.1Very low137 Ų137134.6 Ų134.673%0.73374%0.743SS**  trans16.8155.4130.4-46.3-5.5000119.2
715T31.1Very low30.6Very low115 Ų115131.4 Ų131.471%0.70674%0.741SS**  cis-166.4143.733.9-25.80000112.5
716T28.6Very low30.4Very low114 Ų114133.9 Ų133.970%0.69975%0.746SS**  trans50.8141.414247.70000126
717T30Very low30.2Very low114 Ų114132 Ų13270%0.69975%0.749SS**  trans87.1113132.548.60000123.9
718T29.2Very low30Very low110 Ų110132.3 Ų132.368%0.67575%0.75SS**  80.5114.612657.40000123.7
719N29.3Very low30.1Very low135 Ų135131.9 Ų131.972%0.72275%0.753SS**  94.6143.6118-71.311.8000122.9
720N32.8Very low29.9Very low126 Ų126129.3 Ų129.367%0.67475%0.748SS**  trans83.496.4149.9-64.4-8.3000121.2
721N29.1Very low30.4Very low138 Ų138130.1 Ų130.174%0.73875%0.751SS**  62.4141.9114.6-59.6-3000122.4
722S33.6Very low30.1Very low129 Ų129131.1 Ų131.190%0.90275%0.746SS**  trans78.1144.8165.2-26.40000115.1
723G31.3Very low30.1Very low58 Ų58133.1 Ų133.160%0.59875%0.751SS**  cis165.6164.6-3.600000111
724S31Very low29.8Very low114 Ų114132.1 Ų132.180%0.79775%0.748SS**  trans62.3129.4-172.464.60000114.8
725I25.8Very low29.9Very low159 Ų159130.4 Ų130.482%0.81575%0.754SS**  cis73.5106.646.4-57.7167.5000112.8
726F28.9Very low29.9Very low188 Ų188130.5 Ų130.583%0.82576%0.759SS**  trans-158.1137.4138.8-136.6-113.2000111.6V728F726-V728 HydrophobicContact CD1-CG2 3.71Å; F726-V728 HydrophobicContact CE1-CG2 3.53Å
727M26.8Very low30.1Very low174 Ų174131.9 Ų131.986%0.85776%0.762SS**  trans-120.5128.5168.6-69.5-163.6-5800109.3
728V31.3Very low30.4Very low104 Ų104133.5 Ų133.563%0.6377%0.766SS**  trans-149.9100.3167.6176.20000105.7F726F726-V728 HydrophobicContact CD1-CG2 3.71Å; F726-V728 HydrophobicContact CE1-CG2 3.53Å
729N31Very low30.4Very low143 Ų143132.9 Ų132.977%0.76577%0.766SS**  87.9140.879.5-66.3-7.5000113.8
730E27.4Very low30.7Very low166 Ų166134.6 Ų134.678%0.77677%0.77SS**  trans-69.6162.5164.2-57.4179.5119.100112
731P38.4Very low30.7Very low129 Ų129135 Ų13584%0.83877%0.771SS**  trans-115.9104.9153.134.5-22.6000112
732H26.2Very low30.9Very low162 Ų162135 Ų13575%0.7577%0.771SS**  trans-90.7171152.4-98.2-82000109.6
733I28.4Very low30.7Very low158 Ų158135.5 Ų135.581%0.8176%0.763SS**  trans96.4118157.9-49.6-168.3000119.4
734S27.7Very low30.8Very low101 Ų101138.1 Ų138.171%0.70677%0.77SS**  trans52.7107.9150.676.60000124.7
735A29.3Very low30.9Very low102 Ų102138.8 Ų138.884%0.84378%0.775SS**  33.7131.2111.500000123
736S32.8Very low31Very low117 Ų117142.9 Ų142.982%0.81878%0.78SS**  -157.7136.9127.166.10000113.8
737N32Very low30.9Very low143 Ų143139 Ų13977%0.76578%0.776SS**  trans-19.9142.1171.2-50.3-17.9000120.7
738N35.5Very low30.9Very low147 Ų147136.3 Ų136.379%0.78677%0.77SS**  177.6108.9112.2-82.8-11.6000108.1
739S31Very low30.7Very low97 Ų97138.4 Ų138.468%0.67878%0.776SS**  82.597.960.773.20000114.6
740E34.5Very low30.6Very low171 Ų171138.1 Ų138.180%0.79977%0.774SS**  -174.5121.1127-96.1-171.4111.700108.5
741L32.3Very low30.6Very low134 Ų134136.3 Ų136.370%0.70277%0.77SS**  66.7129.996.9-64-176000114.2
742L33.3Very low30.2Very low139 Ų139137.8 Ų137.873%0.72877%0.771SS**  cis-146128.8-2-88140.9000107.8
743N30.5Very low30.3Very low139 Ų139135.7 Ų135.774%0.74377%0.77SS**  83119.381.4-155.730000114.3
744P33.6Very low30.3Very low113 Ų113137.5 Ų137.573%0.73477%0.774SS**  trans-86.6164.1-174.235.4-36.6000113.9
745S32.4Very low30.3Very low129 Ų129141.1 Ų141.190%0.90278%0.78SS**  trans-152.4160.2172.8-82.90000114.2
746R28Very low30.3Very low245 Ų245139.5 Ų139.593%0.92577%0.773SS**  trans-132123.5-159.9159.5-157.4179.8-174.41.9110.1
747S27.4Very low30Very low107 Ų107139.6 Ų139.675%0.74877%0.774SS**  trans-173135.115751.90000115.7
748T26.8Very low29.8Very low117 Ų117140.6 Ų140.672%0.71878%0.777SS**  trans24.8121.4146.348.30000123.1
749I27Very low29.4Very low147 Ų147142.1 Ų142.175%0.75478%0.78SS**  37.3111.2107.9-54167.5000116.4
750N27.3Very low29.2Very low138 Ų138145.5 Ų145.574%0.73879%0.789SS**  -165.9163.497.8-129.1-23.4000115.2
751N28.5Very low29Very low128 Ų128143 Ų14368%0.68479%0.788SS**  trans-33.6142176.2-52.6-32.6000116.1
752N30Very low28.7Very low159 Ų159146.6 Ų146.685%0.8579%0.794SS**  -152.6149.381-100.7-27.5000116.2
753T28.7Very low28.7Very low119 Ų119147.5 Ų147.573%0.7380%0.797SS**  trans-76.7150.8177.138.50000114.1
754Q28Very low28.7Very low195 Ų195144.7 Ų144.791%0.91179%0.787SS**  -147.2157.7127.5-114.2174.92300111.7
755H27.9Very low28.4Very low177 Ų177144.8 Ų144.882%0.81979%0.79SS**  trans-78.9146.7-169.6-85.1-127.3000113.4
756G29.3Very low28.3Very low68 Ų68145.3 Ų145.370%0.70178%0.782SS**  trans-147.682.2170.200000110.8I758G756-I758 PolarHBondContact O-N 2.94Å
757S26.3Very low28.2Very low120 Ų120143.9 Ų143.984%0.83978%0.778SS**  trans-66.8123.3176.2-53.50000110.3
758I28.5Very low28.3Very low163 Ų163145.8 Ų145.884%0.83678%0.775SS**  trans-131.5129.2173-60.9-177.3000109G756G756-I758 PolarHBondContact O-N 2.94Å
759E25.9Very low28.6Very low180 Ų180145.2 Ų145.284%0.84178%0.783SS**  trans-77.4159.3-174.7-60169.9112.100112.3P761E759-P761 WeakPolarHBondContact O-CD 3.15Å
760L26.7Very low28.8Very low167 Ų167148.5 Ų148.587%0.87479%0.785SS**  trans-88.7115.6171.5-78.6165000110.3Y762L760-Y762 PolarHBondContact O-N 3.3Å
761P31.1Very low28.9Very low118 Ų118148.1 Ų148.177%0.76678%0.783SS**  trans-70.5101.8173.7-17.833.4000110.6E759 I763E759-P761 WeakPolarHBondContact O-CD 3.15Å; P761-I763 PolarHBondContact O-N 2.82Å
762Y26.2Very low29.2Very low211 Ų211149.8 Ų149.883%0.82779%0.792SS**  trans-68.8111.5176.9-169.2-89.2000110.3L760 P764L760-Y762 PolarHBondContact O-N 3.3Å; Y762-P764 HydrophobicContact CD1-CG 4.25Å; Y762-P764 HydrophobicContact CE1-CG 4.45Å
763I33.3Very low29.2Very low157 Ų157152.1 Ų152.181%0.80579%0.789SS**  trans-99.9114.5174.6-61-176000109.3P761P761-I763 PolarHBondContact O-N 2.82Å
764P29.4Very low29.5Very low81 Ų81153.4 Ų153.453%0.52679%0.792SS.*  trans-75.4144.4-168.2-19.332.7000115.7Y762 L766Y762-P764 HydrophobicContact CD1-CG 4.25Å; Y762-P764 HydrophobicContact CE1-CG 4.45Å; P764-L766 PolarHBondContact O-N 2.95Å; P764-L766 VanDerWaalsContact O-N 3.15Å
765S27.9Very low29.6Very low114 Ų114150.9 Ų150.980%0.79778%0.783SS**  trans-73.393.1158.5164.30000110.3Y767S765-Y767 PolarHBondContact O-N 3.01Å
766L30.1Very low29.8Very low141 Ų141152.9 Ų152.974%0.73878%0.783SS**  trans-9173.7177.4-101.7169000113.3P764 H768P764-L766 PolarHBondContact O-N 2.95Å; P764-L766 VanDerWaalsContact O-N 3.15Å; L766-H768 HydrophobicContact CD2-CB 4.29Å
767Y26Very low30.1Very low215 Ų215156.1 Ų156.184%0.84378%0.784SS**  trans-93.194.7156.2-102-85.4000109S765S765-Y767 PolarHBondContact O-N 3.01Å
768H29.9Very low30.5Very low146 Ų146157.1 Ų157.168%0.67678%0.78SS**  trans-137.171.1172.3-103.4-45.4000112L766 R770L766-H768 HydrophobicContact CD2-CB 4.29Å; H768-R770 PolarHBondContact O-N 3.42Å
769A33.2Very low30.8Very low106 Ų106156 Ų15688%0.87678%0.776SS**  trans-75.996.5155.800000107.8
770R31.1Very low31.3Very low216 Ų216153.8 Ų153.882%0.81577%0.77SS**  trans-92.2112.4178.6-158175.6-162.71421.2108.7H768H768-R770 PolarHBondContact O-N 3.42Å
771D29.5Very low31.8Very low130 Ų130152.1 Ų152.170%0.69576%0.762SS**  trans-60.9134.2-178.4-149.6-4000110.8
772N34.5Very low32Very low162 Ų162152.2 Ų152.287%0.86676%0.756SS**  trans-152.4108.5170.5-133.1-1000110.6
773R29.2Very low32.4Very low209 Ų209148.4 Ų148.479%0.78975%0.75SS**  trans-86127.1-176.5-74172.7-102.2164-6.3110.9
774N34.9Very low32.5Very low146 Ų146147 Ų14778%0.78174%0.744SS**  trans-169103.8148.4-90.3-31.7000107.8
775I31.4Very low32.8Very low142 Ų142148.8 Ų148.873%0.72875%0.749SS**  90.4117.377.5-77.8178.1000113.1
776R32.3Very low33.1Very low219 Ų219149.5 Ų149.583%0.82674%0.744SS**  trans80.1119159.6-78.9175.7179.5175.11.5122.8
777N35.1Very low33.3Very low136 Ų136149.4 Ų149.473%0.72774%0.744SS**  trans82.3114.3130.1-65.29.4000121.6
778N33.3Very low33.7Very low141 Ų141143.6 Ų143.675%0.75474%0.735SS**  29.5127.5113.7-73.330.6000117.5
779N36.7Very low33.9Very low140 Ų140143 Ų14375%0.74974%0.737SS**  -157.8168.751.6-101.8-30.5000114.6
780N35Very low34.1Very low132 Ų132145.1 Ų145.171%0.70673%0.728SS**  trans-49148.5166.2-43.6-29.6000111.8
781N36.9Very low34.4Very low132 Ų132140.4 Ų140.471%0.70672%0.719SS**  -180151.273.7-104.6-31.9000113.7
782N35.4Very low34.7Very low121 Ų121141.1 Ų141.165%0.64772%0.723SS**  trans47116.9138-61.2-11.1000123.5
783N35.4Very low34.6Very low130 Ų130137.9 Ų137.970%0.69571%0.713SS**  82.6131.6117-66-1.4000123.6
784N35.7Very low34.8Very low127 Ų127133.2 Ų133.268%0.67971%0.708SS**  trans87.3116.4132.7-71.26.3000122.5
785N35Very low34.9Very low120 Ų120134.8 Ų134.864%0.64271%0.71SS**  87110.5122.7-66.12.4000122.1
786N34.8Very low35.3Very low129 Ų129133 Ų13369%0.6971%0.708SS**  89.1129.5119.2-63.3-3.3000122.5
787N33.9Very low35.3Very low139 Ų139131.3 Ų131.374%0.74372%0.715SS**  trans88.8106.8133.9-73.24.9000123.1
788S34Very low35.2Very low93 Ų93128.2 Ų128.265%0.6571%0.714SS**  80.4124119.2680000122.8
789N34.4Very low35.2Very low133 Ų133128.3 Ų128.371%0.71172%0.715SS**  trans53.4138.2137.4-47.2-6.4000119.5
790H38.5Very low34.9Very low150 Ų150131.8 Ų131.869%0.69472%0.719SS**  -172151.653.8-104.3-63.7000114.3
791N35.7Very low34.7Very low117 Ų117130.1 Ų130.163%0.62672%0.724SS**  trans69.1130.7136.3-60-6000125.7
792N37Very low34.5Very low145 Ų145131.8 Ų131.878%0.77573%0.727SS**  trans66.5161.3134.6-59.53.9000120.2
793S32.1Very low34.5Very low94 Ų94131.9 Ų131.966%0.65773%0.734SS**  cis-179.4164.7-19.7-85.30000108.7
794T34.2Very low34.4Very low111 Ų111129.2 Ų129.268%0.68172%0.723SS**  cis-173.1136.6-18.533.90000111.1
795H36.6Very low34.2Very low179 Ų179129.2 Ų129.283%0.82972%0.717SS**  trans66.9175.5150-79.3-98.3000120.3
796P39.3Very low34.1Very low105 Ų105125.9 Ų125.968%0.68270%0.701SS**  -144.2166.2-66.343.9-25.8000119.3
797L31.9Very low33.9Very low184 Ų184124 Ų12496%0.96369%0.691SS**  trans18.3140.9148-76.2162.6000126.8
798G34.3Very low33.9Very low70 Ų70124.5 Ų124.572%0.72269%0.689SS**  trans151.6154.6148.500000114.6
799N33.1Very low33.8Very low143 Ų143125.1 Ų125.177%0.76569%0.689SS**  cis-167.5153.2-20.5-143.4-4000112.6
800Y28.6Very low33.7Very low213 Ų213128.6 Ų128.684%0.83570%0.697SS**  trans69.9145.3159.2-88.6-82.5000127.3
801A31.8Very low33.4Very low97 Ų97126.4 Ų126.480%0.80269%0.691SS**  trans103.4149.1143.600000123.8
802Q33.6Very low33.1Very low168 Ų168127.9 Ų127.979%0.78569%0.694SS**  trans-144171.6-174.3-95.1-101.5-20.800108
803P34Very low32.9Very low122 Ų122128.6 Ų128.679%0.79269%0.693SS**  cis-152.4-138.745.243.9-18.5000117.6
804T33.2Very low32.7Very low74 Ų74128.9 Ų128.945%0.45470%0.695SS.*  trans-119.1155.9-152.458.60000118.3
805F31.3Very low32.7Very low127 Ų127129.1 Ų129.156%0.55770%0.701SS**  trans170.6173.4149.8-105.1-147.9000113.7N430 L433N430-F805 PolarHBondContact ND2-O 2.97Å; L433-F805 HydrophobicContact CD1-CE2 4.48Å; L433-F805 HydrophobicContact CD1-CZ 3.97Å
806V32.8Very low32.4Very low51 Ų51126.8 Ų126.831%0.30970%0.695SS.*  cis-164159.8-41.8105.30000114.3H431 K432 L433H431-V806 CarbonylContact O-C 3.08Å; H431-V806 WeakPolarHBondContact O-CA 3.44Å; H431-V806 WeakPolarHBondContact O-CG2 3.37Å; K432-V806 HydrophobicContact CB-CG2 3.53Å; L433-V806 HydrophobicContact CB-CG2 4.34Å; L433-V806 HydrophobicContact CG-CG2 4.42Å
807N32.6Very low32Very low90 Ų90130 Ų13048%0.48170%0.701SS.*  trans70.3167.6161.8-76.51.9000122.8H431H431-N807 PolarHBondContact O-N 2.8Å
808Q32.7Very low32.1Very low149 Ų149127.2 Ų127.270%0.69670%0.696SS**  cis-177.7138.8-40.6-171.1173.13.400114.2
809V32.2Very low32.3Very low106 Ų106129.2 Ų129.264%0.64270%0.699SS**  trans37.8144153177.10000124.5
810F33Very low32.8Very low205 Ų205128.1 Ų128.190%0.89970%0.7SS**  trans-150.5176.6140-121.4-84.3000113.4
811N32Very low33.1Very low105 Ų105124.8 Ų124.856%0.56170%0.697SS**  trans-110.3155.9-148.8-7827.7000119.2
812E29.2Very low33.3Very low147 Ų147126.7 Ų126.769%0.68770%0.699SS**  trans54.7166.8134.6-63.3177.19700121.3
813Q32.2Very low33.5Very low161 Ų161123.2 Ų123.275%0.75269%0.693SS**  cis-150174.17.7-140.4159.749.800112.7
814S29.1Very low33.4Very low100 Ų100129.1 Ų129.170%0.69970%0.699SS**  trans-48.1146.6-174.153.10000121.6
815S32.4Very low33.3Very low116 Ų116133.7 Ų133.781%0.81171%0.713SS**  178.8150.4111.939.10000116.4
816D31.6Very low33.2Very low130 Ų130132.2 Ų132.270%0.69572%0.719SS**  trans13.8134.6168-72.7-69.4000127.6
817Q29.6Very low33.2Very low172 Ų172138 Ų13880%0.80474%0.74SS**  trans53.7106.1134.1-61.7174.649.400122.7
818S33.9Very low33.2Very low125 Ų125140.4 Ų140.487%0.87475%0.751SS**  176.1164.3111.743.90000112.7
819S38.9Very low33.5Very low112 Ų112142.7 Ų142.778%0.78376%0.76SS**  trans-110168.7-179.3-40.70000111.2
820P43.3Very low33.6Very low121 Ų121142.2 Ų142.279%0.78676%0.761SS**  -152.5178.478.140-19.4000118.1
821N35.5Very low34Very low143 Ų143137.8 Ų137.877%0.76575%0.753SS**  trans-52.9161.5178.1-54.7-55.4000115.7
822T37.2Very low34.2Very low136 Ų136140.5 Ų140.583%0.83477%0.766SS**  176164.481.637.90000109.8
823S36.5Very low34.6Very low96 Ų96140.4 Ų140.467%0.67177%0.77SS**  cis-158.3158.2-18.351.90000109
824R31.5Very low35.1Very low245 Ų245139.2 Ų139.293%0.92577%0.774SS**  trans-103.8132.9167.8-77.7-178.2173.4175.8-1.7109.4
825F32.1Very low35.6Very low171 Ų171139.6 Ų139.675%0.7578%0.776SS**  trans-87.7118.5170.1-96.8-87.6000110.9F827F825-F827 HydrophobicContact CB-CE2 4.46Å; F825-F827 HydrophobicContact CD1-CD2 4.41Å; F825-F827 HydrophobicContact CD1-CE1 4.36Å; F825-F827 AromaticContact CD1-CE2 3.62Å; F825-F827 HydrophobicContact CD1-CE2 3.62Å; F825-F827 AromaticContact CD1-CZ 3.59Å; F825-F827 HydrophobicContact CD1-CZ 3.59Å; F825-F827 HydrophobicContact CE1-CE1 4.47Å; F825-F827 HydrophobicContact CE1-CE2 4.32Å; F825-F827 AromaticContact CE1-CZ 3.83Å; F825-F827 HydrophobicContact CE1-CZ 3.83Å; F825-F827 HydrophobicContact CG-CE2 4.39Å
826S30Very low35.8Very low95 Ų95138.6 Ų138.666%0.66478%0.775SS**  trans-128.9101.2170.6570000109.5I828S826-I828 PolarHBondContact O-N 3.24Å; S826-I828 VanDerWaalsContact O-N 3.11Å
827F31.9Very low36.7Very low172 Ų172138.5 Ų138.575%0.75478%0.782SS**  trans-77.396178-73-80.8000110.8F825F825-F827 HydrophobicContact CB-CE2 4.46Å; F825-F827 HydrophobicContact CD1-CD2 4.41Å; F825-F827 HydrophobicContact CD1-CE1 4.36Å; F825-F827 AromaticContact CD1-CE2 3.62Å; F825-F827 HydrophobicContact CD1-CE2 3.62Å; F825-F827 AromaticContact CD1-CZ 3.59Å; F825-F827 HydrophobicContact CD1-CZ 3.59Å; F825-F827 HydrophobicContact CE1-CE1 4.47Å; F825-F827 HydrophobicContact CE1-CE2 4.32Å; F825-F827 AromaticContact CE1-CZ 3.83Å; F825-F827 HydrophobicContact CE1-CZ 3.83Å; F825-F827 HydrophobicContact CG-CE2 4.39Å
828I33.5Very low37.1Very low141 Ų141139.3 Ų139.372%0.72379%0.785SS**  trans-88.3111.6164.7-61.3176.4000107.4S826 S830S826-I828 PolarHBondContact O-N 3.24Å; S826-I828 VanDerWaalsContact O-N 3.11Å; I828-S830 PolarHBondContact O-N 3.41Å
829F37Very low37.1Very low198 Ų198137.7 Ų137.787%0.86878%0.78SS**  trans-73.9106.6164.4-82.7-88.4000108.5
830S35Very low37.3Very low96 Ų96137.9 Ų137.967%0.67178%0.781SS**  trans-77.8135.9166.6-590000109I828I828-S830 PolarHBondContact O-N 3.41Å
831P41.3Very low37.1Very low112 Ų112140.8 Ų140.873%0.72778%0.784SS**  trans-67.3138.7169.829.7-33.2000109.8
832L36.5Very low37.4Very low162 Ų162142.5 Ų142.585%0.84879%0.787SS**  trans-96.597.9169.9-92.7166.9000109.1V834L832-V834 PolarHBondContact O-N 2.89Å
833D38.1Very low37.5Very low144 Ų144141.7 Ų141.777%0.7778%0.782SS**  trans-70105.4168.2-76.5-50.3000110.1S835D833-S835 PolarHBondContact O-N 2.99Å
834V41.4Very low37.7Very low137 Ų137145.2 Ų145.283%0.8379%0.793SS**  trans-88.779.4171.4-175.30000108.9L832L832-V834 PolarHBondContact O-N 2.89Å
835S40.9Very low38Very low107 Ų107138.5 Ų138.575%0.74878%0.783SS**PPolyproline II helixtrans-78.4124167.7-69.30000110.1D833D833-S835 PolarHBondContact O-N 2.99Å
836A36.9Very low38.3Very low95 Ų95137.2 Ų137.279%0.78579%0.79SS**PPolyproline II helixtrans-83.9128.9178.900000111.6
837P50.2Low38.7Very low128 Ų128136.3 Ų136.383%0.83179%0.788SS**PPolyproline II helixtrans-80.9129.8169.531.8-31.5000110.5
838H37Very low39Very low189 Ų189134.2 Ų134.288%0.87579%0.79SS**PPolyproline II helixtrans-91.1156174.7-137.5-85.9000111.5
839A34.2Very low39.2Very low92 Ų92132.3 Ų132.376%0.7679%0.788SS**  trans-42.8147.4-170.800000118.4
840S43.1Very low39.3Very low116 Ų116131.2 Ų131.281%0.81179%0.786SS**  trans-116.7152.6149.7650000110.3
841Q40.1Very low39.5Very low181 Ų181133.1 Ų133.185%0.84679%0.794SS**  trans-75.8175.8172.1-65.7160.6-38.200108.8
842E40.7Very low39.5Very low179 Ų179132.5 Ų132.584%0.83679%0.792SS**  cis-150.5173.235.6-66.4-177.8114.400115.2
843T40.7Very low39.8Very low119 Ų119132.2 Ų132.273%0.7379%0.79SS**  trans-25.4143.1171.456.10000120.4
844L38.8Very low40.1Very low171 Ų171130.6 Ų130.690%0.89579%0.787SS**  -154.8150.2104.3-15364.3000112.7
845S37.8Very low40.1Very low103 Ų103131.3 Ų131.372%0.7279%0.786SS**  trans-94.1157.5-179.1-460000112.9
846T39Very low40.2Very low145 Ų145134.1 Ų134.189%0.8979%0.791SS**  176153.6126.5-73.10000109.8
847A38.9Very low40.5Very low76 Ų76132.8 Ų132.863%0.62879%0.787SS**  trans-124.2-179.9-17400000113.4
848T37.7Very low39.9Very low128 Ų128132.6 Ų132.679%0.78579%0.789SS**  trans69.4109.7154.3400000121
849S38.2Very low40.4Very low100 Ų100129.3 Ų129.370%0.69978%0.784SS**  113.7135.9106.373.90000122.6
850Q38.6Very low40.8Very low175 Ų175130.9 Ų130.982%0.81879%0.79SS**  trans82.5159.9142.9-76.7177.332.600123.6
851T39Very low40.8Very low137 Ų137130.7 Ų130.784%0.8479%0.788SS**  trans72.8139.8-177.870.40000116.3
852S41.5Very low41.2Very low99 Ų99127.3 Ų127.369%0.69278%0.782SS**  cis-165.4130.6-15.139.80000108.2
853I43.1Very low41.1Very low156 Ų156130.6 Ų130.680%0.879%0.787SS**  62.2139.681.9-66.2178000113.3
854P44.3Very low41Very low110 Ų110127.9 Ų127.971%0.71478%0.783SS**  cis-107-144.59.313.812.5000112.9
855L41.9Very low41.2Very low152 Ų152130 Ų13080%0.79679%0.785SS**  cis-150.7-170.820.4-96177000113.7
856L41.8Very low41.2Very low165 Ų165130 Ų13086%0.86479%0.785SS**  trans-67.4162.5-177-78.854.2000115.3
857G44.4Very low41.2Very low68 Ų68128.5 Ų128.570%0.70178%0.781SS**  cis-172.7-173.66.100000113.4
858S37.7Very low41.4Very low124 Ų124130 Ų13087%0.86779%0.787SS**  trans-116.8-158.3-161.4-460000114.7
859P47.6Very low41.6Very low120 Ų120129.2 Ų129.278%0.77979%0.786SS**  -128.9165.6-115.939.1-20000117.3
860S41.8Very low41.8Very low124 Ų124132.6 Ų132.687%0.86779%0.791SS**  trans-175.1170.3152.5460000113.7
861S43.4Very low42Very low112 Ų112128.5 Ų128.578%0.78378%0.782SS**  trans-111.2-149.8-173.3-31.40000112.1
862P47.8Very low42.3Very low110 Ų110129.4 Ų129.471%0.71478%0.776SS**  -126.2167.9-59.135.8-21.6000114
863R39.1Very low42.5Very low248 Ų248130.4 Ų130.494%0.93677%0.774SS**  trans164.4154.9152.3-90.6154.8-150.1-136.56.6108.8
864G39Very low42.5Very low63 Ų63128.5 Ų128.565%0.64977%0.765SS**  cis119.398.2-2.300000113.1
865F43.3Very low42.3Very low216 Ų216133.6 Ų133.695%0.94777%0.77SS**  trans-154151.6175.8-113-78000114.2
866S37.6Very low42.2Very low103 Ų103133.6 Ų133.672%0.7277%0.77SS**  trans-172.5159.2-16651.60000110.6
867S38.7Very low42.3Very low113 Ų113131.5 Ų131.579%0.7977%0.767SS**  cis179.7138.9-16.9520000108.6
868S44Very low42.5Very low108 Ų108133.5 Ų133.576%0.75577%0.768SS**  trans-156113-175.557.70000118.3
869S40.9Very low42.6Very low110 Ų110135.3 Ų135.377%0.76977%0.766SS**  trans68.6152.6138.782.60000119.6
870Q42.7Very low42.2Very low172 Ų172135.3 Ų135.380%0.80476%0.759SS**  cis-139.1161.86.3-70.1-178.1-9.200112.8
871S42.5Very low42.1Very low89 Ų89135.9 Ų135.962%0.62275%0.753SS**  trans11.3157.6151.370.30000123.4
872H45.5Very low42Very low156 Ų156136.8 Ų136.872%0.72276%0.759SS**  cis-157.2148.125.1-111.3-47.5000113.5
873N44.5Very low41.5Very low120 Ų120136.8 Ų136.864%0.64276%0.761SS**  trans42.4147134.7-60.217.9000122.1
874N43.1Very low41.5Very low115 Ų115129.5 Ų129.562%0.61576%0.755SS**  cis-165.3132.51-114.7-9.6000113.6
875R40.3Very low41.6Very low217 Ų217132 Ų13282%0.81976%0.759SS**  trans63.2143.2131.7-64.3177.6-177.4-175.1-1.9125
876D39.8Very low41.3Very low152 Ų152129.5 Ų129.581%0.81375%0.754SS**  trans-83.6-162.3179.2-29.9-100.6000112.1
877P44.6Very low40.9Very low121 Ų121131 Ų13179%0.78675%0.754SS**  cis-140.7-1777.342.6-22000117.8
878P48.1Very low40.7Very low111 Ų111135.2 Ų135.272%0.72175%0.754SS**  trans-108.4173.9170.740.7-34000114.6
879I41Very low40.3Very low161 Ų161137.1 Ų137.183%0.82675%0.751SS**  trans-178.8140151.4-101.6157.8000116.3
880N39.3Very low40.1Very low121 Ų121138.4 Ų138.465%0.64776%0.755SS**  trans48.7137151.1-66.445.6000129.3
881D39.1Very low39.7Very low136 Ų136133.6 Ų133.673%0.72775%0.751SS**  trans49.2129.8130.5-47.3-22.6000125.3
882S41.7Very low39.2Very low130 Ų130137 Ų13791%0.90976%0.763SS**  176169115.2-78.60000114.6
883S37.7Very low38.5Very low110 Ų110140.2 Ų140.277%0.76977%0.77SS**  trans-109.9139.5-154.956.40000119
884A37.1Very low37.8Very low96 Ų96140.1 Ų140.179%0.79378%0.777SS**  trans69.2178.4136.500000119.2
885P41.2Very low37.6Very low115 Ų115140.9 Ų140.975%0.74779%0.786SS**  -134.1179-106.638.5-18.1000116
886I37Very low37.1Very low163 Ų163135.5 Ų135.584%0.83678%0.781SS**  trans174.7151.2144.9-94154.6000110.5
887D31.1Very low36.8Very low136 Ų136139 Ų13973%0.72778%0.783SS**  trans-82.4158.2-177.5-47.5-90.4000114.8
888Y34.5Very low36.4Very low201 Ų201139.5 Ų139.579%0.78878%0.784SS**  176.6140.5111.3-109.6-94.4000115.2
889E34.1Very low35.8Very low147 Ų147137.2 Ų137.269%0.68778%0.781SS**  trans20.3124.7156.3-72.7-171.6113.400126.3
890T36.8Very low35.6Very low138 Ų138135.7 Ų135.785%0.84778%0.779SS**  trans73.1146.8131.667.20000122.8
891G34.7Very low35.4Very low71 Ų71137.8 Ų137.873%0.73279%0.787SS**  trans140.376.4159.600000117.3
892N31.4Very low35.3Very low161 Ų161138.5 Ų138.586%0.86179%0.79SS**  trans-82.2119.2174.5-85-23.7000112.8
893Y30.8Very low35.1Very low222 Ų222137.9 Ų137.987%0.87178%0.783SS**  trans-154.5156.2164.2-90.7-73.4000112.9
894C30.5Very low35.5Very low119 Ų119138.6 Ų138.680%0.80479%0.788SS**  trans68.7160.7158.9-73.60000118.8
895V38.6Very low35.6Very low131 Ų131140.1 Ų140.179%0.79478%0.783SS**  cis-159.3160.8-31.8121.80000108.2
896S29.4Very low35.5Very low104 Ų104144.2 Ų144.273%0.72778%0.784SS**  trans-78.2146178.8-40.80000114.7
897R34.2Very low35.4Very low225 Ų225143.9 Ų143.985%0.84978%0.782SS**  155.1140.5122.9-90.7-172.1166.5-166.9-2.8118
898T36.3Very low35.9Very low131 Ų131141.8 Ų141.880%0.80478%0.778SS**  trans66.7138.1138.855.80000124.9
899G36Very low36.3Very low64 Ų64143.6 Ų143.666%0.6680%0.801SS**  trans15190.2158.900000111.4
900T36Very low36.4Very low128 Ų128143.5 Ų143.579%0.78581%0.807SS**  78.8149.161.568.20000115.9
901M34.6Very low36.4Very low165 Ų165143.7 Ų143.781%0.81381%0.805SS**  trans95.6128.3-174.7-59.6-65.6175.800114.6
902L38.3Very low36.5Very low152 Ų152147.8 Ų147.880%0.79681%0.809SS**  cis-147.3154.5-4.9-95.6162.5000110.4
903P37.4Very low36.8Very low116 Ų116147 Ų14775%0.75381%0.806SS**  trans-107165179.339.7-32.9000114.4
904S45.5Very low37.1Very low125 Ų125142.3 Ų142.387%0.87480%0.802SS**  trans-135.5119.6162.4-158.80000112.8
905N38.6Very low37.6Very low128 Ų128143.9 Ų143.968%0.68480%0.802SS**  trans-74169.4165.7-94-68.4000109.7
906R39.5Very low37.5Very low202 Ų202144.8 Ų144.876%0.76280%0.802SS**  cis-176.4178.5-10.6-178.6-158.2-81.9-162.4-8.9105.7
907I35.8Very low38.1Very low155 Ų155147.9 Ų147.980%0.79581%0.808SS**  trans83.9138.9161.7-54.3173.2000112.3
908S42Very low38.5Very low93 Ų93141.5 Ų141.565%0.6581%0.805SS**  cis-137.2161.39.946.60000113.5
909N41.7Very low38.7Very low239 Ų239142.5 Ų142.5100%1.27881%0.805SS**  trans710173.5-61.45.7000114.4

Retrieved 909 of 909 residues in 1012.5 ms (Link to these results)

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