A0A3Q0KPM3_SCHMA Loading...

HMG box domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,152 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
1M55.2Low87.5Confident111 Ų11180.5 Ų80.555%0.54741%0.411SS..  0119.40173.5174.1161.800106.1M3 R86M1-M3 HydrophobicContact CE-CB 3.79Å; M1-M3 HydrophobicContact CE-CE 3.89Å; M1-M3 HydrophobicContact CE-CG 3.89Å; M1-M3 HydrophobicContact CE-SD 4.02Å; M1-M3 HydrophobicContact CG-CB 4.07Å; M1-M3 PolarHBondContact O-N 2.18Å; M1-M3 VanDerWaalsContact O-N 3.17Å; M1-R86 VanDerWaalsContact CE-NH2 3.3Å; M1-R86 VanDerWaalsContact SD-CZ 3.55Å; M1-R86 PolarHBondContact SD-NH2 3.04Å; M1-R86 VanDerWaalsContact SD-NH2 3.37Å
2W73.7Confident88.1Confident46 Ų4674.3 Ų74.317%0.17438%0.381CS..  trans-91.549.6-175.3-55-44.7000110.9P31 T32 E33 R38 H79 R82W2-P31 HydrophobicContact CB-CB 3.87Å; W2-P31 CarbonylContact O-C 3.58Å; W2-P31 WeakPolarHBondContact O-CA 3.35Å; W2-T32 WeakPolarHBondContact CA-OG1 3.22Å; W2-T32 PolarHBondContact O-N 2.9Å; W2-E33 VanDerWaalsContact CD1-OE2 3.26Å; W2-E33 HydrophobicContact CG-CB 4.4Å; W2-E33 PolarHBondContact NE1-OE2 3.16Å; W2-R38 VanDerWaalsContact CZ2-NE 3.33Å; W2-H79 PolarHBondContact O-CE1 3.09Å; W2-R82 VanDerWaalsContact CH2-NH1 3.26Å; W2-R82 VanDerWaalsContact CZ3-NH1 3.3Å
3M89.2Confident88.6Confident12 Ų1272.3 Ų72.36%0.05937%0.367CS..SBendtrans-162.7143.8-170.5-179.7-178.8139.200107.6M1 D5 C9 W20 L24 H28 T32M1-M3 HydrophobicContact CE-CB 3.79Å; M1-M3 HydrophobicContact CE-CE 3.89Å; M1-M3 HydrophobicContact CE-CG 3.89Å; M1-M3 HydrophobicContact CE-SD 4.02Å; M1-M3 HydrophobicContact CG-CB 4.07Å; M1-M3 PolarHBondContact O-N 2.18Å; M1-M3 VanDerWaalsContact O-N 3.17Å; M3-D5 VanDerWaalsContact CE-OD1 3.31Å; M3-D5 WeakPolarHBondContact CE-OD1 3.4Å; M3-C9 WeakPolarHBondContact CE-SG 2.67Å; M3-W20 HydrophobicContact CE-CH2 3.76Å; M3-W20 HydrophobicContact CE-CZ2 4.49Å; M3-L24 HydrophobicContact CE-CD2 3.74Å; M3-L24 HydrophobicContact SD-CD2 3.35Å; M3-L24 WeakPolarHBondContact SD-CD2 3.5Å; M3-H28 HydrophobicContact CE-CB 4.21Å; M3-H28 WeakPolarHBondContact CE-CD2 3.23Å; M3-H28 HydrophobicContact CG-CB 4.03Å; M3-H28 HydrophobicContact SD-CB 3.75Å; M3-T32 PolarHBondContact N-OG1 3.17Å
4K88.2Confident89Confident169 Ų16978.3 Ų78.374%0.73540%0.4SS*.  trans-101.5126.3162.7-65.3175.8-177.5178.20106.3C6 H28 T32K4-C6 PolarHBondContact O-N 2.15Å; K4-H28 PolarHBondContact O-CE1 3Å; K4-T32 HydrophobicContact CG-CG2 4.3Å
5D91.7Very high89.3Confident72 Ų7275.9 Ų75.939%0.38540%0.402SS..  trans-61.8131.4172.3-81.2-45.4000108.5M3 C9 K13 R86M3-D5 VanDerWaalsContact CE-OD1 3.31Å; M3-D5 WeakPolarHBondContact CE-OD1 3.4Å; D5-C9 HydrophobicContact CB-CB 3.98Å; D5-C9 PolarHBondContact OD1-SG 2.79Å; D5-C9 VanDerWaalsContact OD1-SG 3.4Å; D5-K13 IonicContact OD1-NZ 3.74Å; D5-K13 PolarHBondContact OD1-NZ 2.75Å; D5-K13 IonicContact OD2-NZ 3.98Å; D5-K13 PolarHBondContact OD2-NZ 2.17Å; D5-R86 IonicContact OD1-NH2 3.07Å; D5-R86 IonicContact OD2-NH2 3.64Å; D5-R86 PolarHBondContact OD2-NH2 3.34Å
6C93.4Very high89.7Confident40 Ų4072.6 Ų72.627%0.2739%0.391SS..  trans-88.6174.5168.369.50000111.6K4 Q8 C9 H23 H28K4-C6 PolarHBondContact O-N 2.15Å; C6-Q8 VanDerWaalsContact C-N 3.26Å; C6-Q8 PolarHBondContact O-N 3.41Å; C6-C9 PolarHBondContact N-SG 2.37Å; C6-C9 VanDerWaalsContact O-CB 3.23Å; C6-C9 WeakPolarHBondContact O-CB 3.41Å; C6-C9 PolarHBondContact O-N 2.17Å; C6-H23 PolarHBondContact SG-CE1 3.26Å; C6-H28 PolarHBondContact N-NE2 3.33Å; C6-H28 PolarHBondContact SG-NE2 3.01Å
7D93.7Very high90Very high147 Ų14770.5 Ų70.579%0.78638%0.38SS*.THydrogen-bonded Turntrans-55.8-41.8-179.8-53.8-42.8000112.3C9 S10D7-C9 VanDerWaalsContact C-N 3.28Å; D7-C9 PolarHBondContact O-N 2.8Å; D7-S10 PolarHBondContact O-N 3.14Å; D7-S10 PolarHBondContact O-OG 2.85Å
8Q93.5Very high90.3Very high111 Ų11171.7 Ų71.752%0.51938%0.383SS..THydrogen-bonded Turntrans-72.5-15.4-179.4-59.8-63.3-9.600113.7C6 S10 I11 A12C6-Q8 VanDerWaalsContact C-N 3.26Å; C6-Q8 PolarHBondContact O-N 3.41Å; Q8-S10 PolarHBondContact O-N 3.2Å; Q8-S10 VanDerWaalsContact O-N 3.16Å; Q8-I11 PolarHBondContact O-N 2.75Å; Q8-I11 VanDerWaalsContact O-N 3.17Å; Q8-A12 WeakPolarHBondContact O-CB 3.43Å; Q8-A12 PolarHBondContact O-N 3.16Å
9C95.5Very high90.6Very high0 Ų071.9 Ų71.90%039%0.387CS..Hα-helixtrans-58.4-30.1175.5-84.80000112.5M3 D5 C6 D7 K13 W20 H23 H28M3-C9 WeakPolarHBondContact CE-SG 2.67Å; D5-C9 HydrophobicContact CB-CB 3.98Å; D5-C9 PolarHBondContact OD1-SG 2.79Å; D5-C9 VanDerWaalsContact OD1-SG 3.4Å; C6-C9 PolarHBondContact N-SG 2.37Å; C6-C9 VanDerWaalsContact O-CB 3.23Å; C6-C9 WeakPolarHBondContact O-CB 3.41Å; C6-C9 PolarHBondContact O-N 2.17Å; D7-C9 VanDerWaalsContact C-N 3.28Å; D7-C9 PolarHBondContact O-N 2.8Å; C9-K13 WeakPolarHBondContact O-CB 3.43Å; C9-K13 WeakPolarHBondContact O-CD 3.2Å; C9-K13 WeakPolarHBondContact O-CE 2.98Å; C9-K13 WeakPolarHBondContact O-CG 3.15Å; C9-K13 PolarHBondContact O-N 3.33Å; C9-W20 HydrophobicContact CB-CH2 4.34Å; C9-W20 HydrophobicContact CB-CZ3 3.99Å; C9-H23 PolarHBondContact SG-NE2 2.89Å; C9-H28 VanDerWaalsContact SG-CD2 3.51Å; C9-H28 PolarHBondContact SG-NE2 3.45Å
10S93.8Very high90.9Very high70 Ų7068.3 Ų68.349%0.4937%0.367SS..Hα-helixtrans-61.9-49.7177.160.20000111.6D7 Q8D7-S10 PolarHBondContact O-N 3.14Å; D7-S10 PolarHBondContact O-OG 2.85Å; Q8-S10 PolarHBondContact O-N 3.2Å; Q8-S10 VanDerWaalsContact O-N 3.16Å
11I94.5Very high91.1Very high108 Ų10865 Ų6555%0.55435%0.35SS*.Hα-helixtrans-72-43.3-179.6-66.3160.7000110.7Q8 K13 L14 G15Q8-I11 PolarHBondContact O-N 2.75Å; Q8-I11 VanDerWaalsContact O-N 3.17Å; I11-K13 VanDerWaalsContact C-N 3.3Å; I11-K13 PolarHBondContact O-N 3.22Å; I11-L14 WeakPolarHBondContact O-CA 2.64Å; I11-L14 WeakPolarHBondContact O-CB 3.19Å; I11-L14 PolarHBondContact O-N 3.39Å; I11-G15 PolarHBondContact O-N 3.01Å
12A95.1Very high93Very high6 Ų663 Ų635%0.0534%0.339CS..Hα-helixtrans-62.6-34.1-179.600000113.3Q8 L14 G15 W20 H23Q8-A12 WeakPolarHBondContact O-CB 3.43Å; Q8-A12 PolarHBondContact O-N 3.16Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 PolarHBondContact O-N 2.77Å; A12-G15 PolarHBondContact O-N 2.89Å; A12-W20 HydrophobicContact CB-CE3 3.91Å; A12-W20 HydrophobicContact CB-CZ3 4.41Å; A12-W20 PolarHBondContact O-N 3.5Å; A12-H23 HydrophobicContact CB-CB 3.6Å; A12-H23 WeakPolarHBondContact CB-CD2 3.45Å; A12-H23 VanDerWaalsContact CB-CG 3.4Å
13K94.9Very high94.1Very high48 Ų4861.7 Ų61.721%0.20934%0.335CS..Hα-helixtrans-65.7-32.3172.7-71162.9-164.1163.60112.5D5 C9 I11 W20 V87D5-K13 IonicContact OD1-NZ 3.74Å; D5-K13 PolarHBondContact OD1-NZ 2.75Å; D5-K13 IonicContact OD2-NZ 3.98Å; D5-K13 PolarHBondContact OD2-NZ 2.17Å; C9-K13 WeakPolarHBondContact O-CB 3.43Å; C9-K13 WeakPolarHBondContact O-CD 3.2Å; C9-K13 WeakPolarHBondContact O-CE 2.98Å; C9-K13 WeakPolarHBondContact O-CG 3.15Å; C9-K13 PolarHBondContact O-N 3.33Å; I11-K13 VanDerWaalsContact C-N 3.3Å; I11-K13 PolarHBondContact O-N 3.22Å; K13-W20 HydrophobicContact CD-CH2 4.22Å; K13-W20 HydrophobicContact CD-CZ3 4.24Å; K13-W20 VanDerWaalsContact CE-CZ3 3.48Å; K13-W20 HydrophobicContact CG-CD2 3.84Å; K13-W20 HydrophobicContact CG-CE3 3.6Å; K13-W20 HydrophobicContact CG-CH2 4.01Å; K13-W20 HydrophobicContact CG-CZ2 4.19Å; K13-W20 HydrophobicContact CG-CZ3 3.69Å; K13-V87 HydrophobicContact CB-CG1 4.21Å; K13-V87 HydrophobicContact CD-CG2 4.34Å; K13-V87 HydrophobicContact CG-CG1 4.1Å; K13-V87 HydrophobicContact CG-CG2 4.18Å
14L93.8Very high94.4Very high156 Ų15661.1 Ų61.182%0.81733%0.332SS*.Hα-helixtrans-79.3-24.8176.4-64.7172.6000112.6I11 A12 G16I11-L14 WeakPolarHBondContact O-CA 2.64Å; I11-L14 WeakPolarHBondContact O-CB 3.19Å; I11-L14 PolarHBondContact O-N 3.39Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 PolarHBondContact O-N 2.77Å; L14-G16 PolarHBondContact O-N 3.5Å; L14-G16 VanDerWaalsContact O-N 3.13Å
15G93.7Very high94.7Very high42 Ų4253.2 Ų53.243%0.43330%0.298SS..THydrogen-bonded Turntrans-68.60.117500000115.6I11 A12 V19I11-G15 PolarHBondContact O-N 3.01Å; A12-G15 PolarHBondContact O-N 2.89Å; G15-V19 WeakPolarHBondContact O-CB 3.34Å; G15-V19 VanDerWaalsContact O-CG2 3.23Å; G15-V19 WeakPolarHBondContact O-CG2 3.43Å
16G94.7Very high94.8Very high23 Ų2354.3 Ų54.324%0.23730%0.304CS..Hα-helixtrans81-179.8179.500000114.2L14 Q18 V19 W20L14-G16 PolarHBondContact O-N 3.5Å; L14-G16 VanDerWaalsContact O-N 3.13Å; G16-Q18 PolarHBondContact O-N 3.19Å; G16-V19 PolarHBondContact O-N 3.44Å; G16-W20 WeakPolarHBondContact O-CB 3.38Å; G16-W20 PolarHBondContact O-N 3.1Å
17L95.2Very high94.8Very high37 Ų3758.6 Ų58.619%0.19432%0.32CS..Hα-helixtrans-53.9-50.4-167.2-179.862.4000113.9M21 V84 F88 A91 V95 I96L17-M21 HydrophobicContact CD1-CG 4.25Å; L17-M21 HydrophobicContact CD1-SD 3.82Å; L17-M21 HydrophobicContact CG-SD 4.15Å; L17-M21 WeakPolarHBondContact O-CB 3.43Å; L17-M21 WeakPolarHBondContact O-CG 3.23Å; L17-M21 PolarHBondContact O-N 2.96Å; L17-V84 HydrophobicContact CD1-CG1 3.43Å; L17-V84 VanDerWaalsContact CD1-CG1 3.43Å; L17-F88 HydrophobicContact CD1-CB 4.31Å; L17-F88 HydrophobicContact CD1-CD2 3.92Å; L17-F88 HydrophobicContact CD1-CG 4.23Å; L17-A91 HydrophobicContact CD1-CB 4.25Å; L17-A91 HydrophobicContact CD2-CB 4.1Å; L17-V95 HydrophobicContact CD2-CG1 4.06Å; L17-I96 HydrophobicContact CD1-CG1 4.44Å
18Q95.2Very high94.8Very high93 Ų9352.8 Ų52.844%0.43529%0.288SS..Hα-helixtrans-64.8-43.8-177.4-176.267.629.500112G16 M21 Q22G16-Q18 PolarHBondContact O-N 3.19Å; Q18-M21 PolarHBondContact O-N 3.03Å; Q18-Q22 WeakPolarHBondContact O-CB 3.23Å; Q18-Q22 PolarHBondContact O-N 2.99Å
19V95.8Very high94.8Very high75 Ų7548.1 Ų48.146%0.45527%0.268SS..Hα-helixtrans-68.2-41.7-179.2179.80000110.6G15 G16 M21 Q22 H23G15-V19 WeakPolarHBondContact O-CB 3.34Å; G15-V19 VanDerWaalsContact O-CG2 3.23Å; G15-V19 WeakPolarHBondContact O-CG2 3.43Å; G16-V19 PolarHBondContact O-N 3.44Å; V19-M21 VanDerWaalsContact C-N 3.35Å; V19-M21 PolarHBondContact O-N 3.37Å; V19-Q22 PolarHBondContact O-N 3.12Å; V19-H23 VanDerWaalsContact O-CB 3.23Å; V19-H23 WeakPolarHBondContact O-CB 3.42Å; V19-H23 PolarHBondContact O-N 3.29Å
20W96.4Very high94.7Very high0 Ų050.8 Ų50.80%028%0.282CS..Hα-helixtrans-61.5-42.6173.6179.6-128.1000111.9M3 C9 A12 K13 G16 H23 L24 N83 V87 F88M3-W20 HydrophobicContact CE-CH2 3.76Å; M3-W20 HydrophobicContact CE-CZ2 4.49Å; C9-W20 HydrophobicContact CB-CH2 4.34Å; C9-W20 HydrophobicContact CB-CZ3 3.99Å; A12-W20 HydrophobicContact CB-CE3 3.91Å; A12-W20 HydrophobicContact CB-CZ3 4.41Å; A12-W20 PolarHBondContact O-N 3.5Å; K13-W20 HydrophobicContact CD-CH2 4.22Å; K13-W20 HydrophobicContact CD-CZ3 4.24Å; K13-W20 VanDerWaalsContact CE-CZ3 3.48Å; K13-W20 HydrophobicContact CG-CD2 3.84Å; K13-W20 HydrophobicContact CG-CE3 3.6Å; K13-W20 HydrophobicContact CG-CH2 4.01Å; K13-W20 HydrophobicContact CG-CZ2 4.19Å; K13-W20 HydrophobicContact CG-CZ3 3.69Å; G16-W20 WeakPolarHBondContact O-CB 3.38Å; G16-W20 PolarHBondContact O-N 3.1Å; W20-H23 AromaticContact CE3-CD2 3.89Å; W20-H23 AromaticContact CZ3-CD2 3.64Å; W20-L24 HydrophobicContact CD2-CD1 4.11Å; W20-L24 HydrophobicContact CD2-CG 4.05Å; W20-L24 HydrophobicContact CE3-CG 4.3Å; W20-L24 HydrophobicContact CG-CD1 4.35Å; W20-L24 HydrophobicContact CH2-CD2 3.78Å; W20-L24 HydrophobicContact CH2-CG 4.17Å; W20-L24 HydrophobicContact CZ2-CD1 3.94Å; W20-L24 HydrophobicContact CZ2-CD2 3.73Å; W20-L24 HydrophobicContact CZ2-CG 3.93Å; W20-L24 HydrophobicContact CZ3-CD2 4.31Å; W20-L24 HydrophobicContact CZ3-CG 4.36Å; W20-L24 WeakPolarHBondContact O-CB 3.37Å; W20-L24 VanDerWaalsContact O-CG 3.25Å; W20-L24 WeakPolarHBondContact O-CG 3.46Å; W20-L24 PolarHBondContact O-N 3.3Å; W20-N83 PolarHBondContact NE1-O 2.98Å; W20-V87 HydrophobicContact CZ2-CG2 4Å; W20-F88 HydrophobicContact CB-CE2 3.78Å; W20-F88 AromaticContact CD1-CD2 3.89Å; W20-F88 AromaticContact CD1-CE2 3.64Å; W20-F88 AromaticContact CG-CE2 3.93Å; W20-F88 HydrophobicContact CG-CE2 3.93Å
21M96.4Very high94.7Very high0 Ų047.9 Ų47.90%026%0.261CS..Hα-helixtrans-67.4-42.8178.6-77.7-174.259.800113.2L17 Q18 V19 L24 T25 V84 I96 Q99 L100 L103L17-M21 HydrophobicContact CD1-CG 4.25Å; L17-M21 HydrophobicContact CD1-SD 3.82Å; L17-M21 HydrophobicContact CG-SD 4.15Å; L17-M21 WeakPolarHBondContact O-CB 3.43Å; L17-M21 WeakPolarHBondContact O-CG 3.23Å; L17-M21 PolarHBondContact O-N 2.96Å; Q18-M21 PolarHBondContact O-N 3.03Å; V19-M21 VanDerWaalsContact C-N 3.35Å; V19-M21 PolarHBondContact O-N 3.37Å; M21-L24 PolarHBondContact O-N 3.43Å; M21-T25 PolarHBondContact O-N 3.47Å; M21-T25 PolarHBondContact O-OG1 3.01Å; M21-V84 HydrophobicContact CG-CG1 4.33Å; M21-V84 HydrophobicContact CG-CG2 3.39Å; M21-V84 HydrophobicContact SD-CG1 4.17Å; M21-V84 HydrophobicContact SD-CG2 3.94Å; M21-I96 HydrophobicContact CE-CG2 3.92Å; M21-I96 HydrophobicContact SD-CG2 3.95Å; M21-Q99 HydrophobicContact CE-CB 3.49Å; M21-Q99 VanDerWaalsContact CE-CB 3.49Å; M21-Q99 HydrophobicContact SD-CB 4.22Å; M21-Q99 PolarHBondContact SD-OE1 3.47Å; M21-Q99 VanDerWaalsContact SD-OE1 3.35Å; M21-L100 HydrophobicContact CE-CD2 4.1Å; M21-L100 HydrophobicContact CE-CG 3.83Å; M21-L103 HydrophobicContact CB-CD1 3.87Å; M21-L103 HydrophobicContact CE-CD1 4Å
22Q95.6Very high94.6Very high67 Ų6746.7 Ų46.731%0.31326%0.259SS..Hα-helixtrans-61.8-49.6175-176.560.558.600111Q18 V19 L24 T25 D26 L103Q18-Q22 WeakPolarHBondContact O-CB 3.23Å; Q18-Q22 PolarHBondContact O-N 2.99Å; V19-Q22 PolarHBondContact O-N 3.12Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 3.05Å; Q22-T25 PolarHBondContact O-N 3.32Å; Q22-T25 PolarHBondContact O-OG1 2.6Å; Q22-D26 WeakPolarHBondContact CG-OD2 3.47Å; Q22-D26 PolarHBondContact NE2-OD1 2.86Å; Q22-D26 PolarHBondContact NE2-OD2 3.49Å; Q22-D26 VanDerWaalsContact O-CG 3.27Å; Q22-D26 PolarHBondContact O-N 3.16Å; Q22-L103 VanDerWaalsContact OE1-CD2 3.22Å
23H95.7Very high94.4Very high20 Ų2049.2 Ų49.29%0.09327%0.27CS..Hα-helixtrans-59.3-39.4176.7173.669.1000112.9C6 C9 A12 V19 W20 T25 D26 E27 H28C6-H23 PolarHBondContact SG-CE1 3.26Å; C9-H23 PolarHBondContact SG-NE2 2.89Å; A12-H23 HydrophobicContact CB-CB 3.6Å; A12-H23 WeakPolarHBondContact CB-CD2 3.45Å; A12-H23 VanDerWaalsContact CB-CG 3.4Å; V19-H23 VanDerWaalsContact O-CB 3.23Å; V19-H23 WeakPolarHBondContact O-CB 3.42Å; V19-H23 PolarHBondContact O-N 3.29Å; W20-H23 AromaticContact CE3-CD2 3.89Å; W20-H23 AromaticContact CZ3-CD2 3.64Å; H23-T25 PolarHBondContact O-N 3.41Å; H23-D26 PolarHBondContact O-N 2.93Å; H23-E27 PolarHBondContact O-N 2.94Å; H23-H28 AromaticContact NE2-CD2 3.83Å; H23-H28 AromaticContact NE2-NE2 3.9Å
24L95.5Very high94.4Very high0 Ų048.4 Ų48.40%027%0.266CS..Hα-helixtrans-61.6-28.4173.6-81.1176.3000113M3 W20 M21 Q22 H28 A29 I80 N83 V84M3-L24 HydrophobicContact CE-CD2 3.74Å; M3-L24 HydrophobicContact SD-CD2 3.35Å; M3-L24 WeakPolarHBondContact SD-CD2 3.5Å; W20-L24 HydrophobicContact CD2-CD1 4.11Å; W20-L24 HydrophobicContact CD2-CG 4.05Å; W20-L24 HydrophobicContact CE3-CG 4.3Å; W20-L24 HydrophobicContact CG-CD1 4.35Å; W20-L24 HydrophobicContact CH2-CD2 3.78Å; W20-L24 HydrophobicContact CH2-CG 4.17Å; W20-L24 HydrophobicContact CZ2-CD1 3.94Å; W20-L24 HydrophobicContact CZ2-CD2 3.73Å; W20-L24 HydrophobicContact CZ2-CG 3.93Å; W20-L24 HydrophobicContact CZ3-CD2 4.31Å; W20-L24 HydrophobicContact CZ3-CG 4.36Å; W20-L24 WeakPolarHBondContact O-CB 3.37Å; W20-L24 VanDerWaalsContact O-CG 3.25Å; W20-L24 WeakPolarHBondContact O-CG 3.46Å; W20-L24 PolarHBondContact O-N 3.3Å; M21-L24 PolarHBondContact O-N 3.43Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 3.05Å; L24-H28 HydrophobicContact CD2-CB 4.16Å; L24-H28 CarbonylContact O-C 3.1Å; L24-H28 WeakPolarHBondContact O-CA 3.47Å; L24-H28 PolarHBondContact O-N 2.82Å; L24-A29 PolarHBondContact O-N 2.98Å; L24-A29 VanDerWaalsContact O-N 3.11Å; L24-I80 HydrophobicContact CB-CD1 4.11Å; L24-I80 HydrophobicContact CB-CG2 4.24Å; L24-I80 HydrophobicContact CD1-CG2 4.1Å; L24-N83 HydrophobicContact CD1-CB 3.82Å; L24-N83 HydrophobicContact CD2-CB 4.01Å; L24-V84 HydrophobicContact CD1-CG2 3.8Å
25T94.3Very high94.3Very high3 Ų341.2 Ų41.22%0.01823%0.229CC..Hα-helixtrans-93.2-14.6179.353.20000114.4M21 Q22 H23 A29 F76 I80 L103M21-T25 PolarHBondContact O-N 3.47Å; M21-T25 PolarHBondContact O-OG1 3.01Å; Q22-T25 PolarHBondContact O-N 3.32Å; Q22-T25 PolarHBondContact O-OG1 2.6Å; H23-T25 PolarHBondContact O-N 3.41Å; T25-A29 WeakPolarHBondContact O-CB 3.27Å; T25-F76 HydrophobicContact CG2-CE2 3.82Å; T25-F76 HydrophobicContact CG2-CZ 3.59Å; T25-I80 HydrophobicContact CG2-CD1 4.09Å; T25-I80 HydrophobicContact CG2-CG1 4.27Å; T25-L103 HydrophobicContact CG2-CB 4.1Å; T25-L103 HydrophobicContact CG2-CD1 4.01Å; T25-L103 HydrophobicContact CG2-CG 4.5Å
26D93.5Very high94.3Very high95 Ų9539.5 Ų39.551%0.50821%0.21SC..Hα-helixtrans-92.4-52.4176.4-61-29.5000111.2Q22 H23Q22-D26 WeakPolarHBondContact CG-OD2 3.47Å; Q22-D26 PolarHBondContact NE2-OD1 2.86Å; Q22-D26 PolarHBondContact NE2-OD2 3.49Å; Q22-D26 VanDerWaalsContact O-CG 3.27Å; Q22-D26 PolarHBondContact O-N 3.16Å; H23-D26 PolarHBondContact O-N 2.93Å
27E93.3Very high94.3Very high129 Ų12941 Ų4160%0.60321%0.213SC*.THydrogen-bonded Turntrans-96.2-21.9-174.7-62.1-61.6144.300113.5H23H23-E27 PolarHBondContact O-N 2.94Å
28H94Very high94.1Very high25 Ų2541.1 Ų41.112%0.11621%0.21CC..SBendtrans-131.324.4-169-62.8-43.9000114.2M3 K4 C6 C9 H23 L24 I30 H79M3-H28 HydrophobicContact CE-CB 4.21Å; M3-H28 WeakPolarHBondContact CE-CD2 3.23Å; M3-H28 HydrophobicContact CG-CB 4.03Å; M3-H28 HydrophobicContact SD-CB 3.75Å; K4-H28 PolarHBondContact O-CE1 3Å; C6-H28 PolarHBondContact N-NE2 3.33Å; C6-H28 PolarHBondContact SG-NE2 3.01Å; C9-H28 VanDerWaalsContact SG-CD2 3.51Å; C9-H28 PolarHBondContact SG-NE2 3.45Å; H23-H28 AromaticContact NE2-CD2 3.83Å; H23-H28 AromaticContact NE2-NE2 3.9Å; L24-H28 HydrophobicContact CD2-CB 4.16Å; L24-H28 CarbonylContact O-C 3.1Å; L24-H28 WeakPolarHBondContact O-CA 3.47Å; L24-H28 PolarHBondContact O-N 2.82Å; H28-I30 PolarHBondContact O-N 3.22Å; H28-H79 PolarHBondContact O-NE2 2.97Å
29A93.6Very high94Very high14 Ų1437.2 Ų37.212%0.11619%0.194CC..  trans-57.6-33.9-174.500000113.8L24 T25 C111 Y115L24-A29 PolarHBondContact O-N 2.98Å; L24-A29 VanDerWaalsContact O-N 3.11Å; T25-A29 WeakPolarHBondContact O-CB 3.27Å; A29-C111 VanDerWaalsContact CB-SG 3.58Å; A29-Y115 WeakPolarHBondContact O-CE2 3.46Å; A29-Y115 PolarHBondContact O-OH 3.28Å
30I94Very high93.7Very high56 Ų5639 Ų3929%0.28721%0.205SC..SBendtrans-100.8132.9-178.9-65.1-61.9000110.3H28 W34 C111 Q114 Y115H28-I30 PolarHBondContact O-N 3.22Å; I30-W34 HydrophobicContact CD1-CH2 3.96Å; I30-W34 HydrophobicContact CD1-CZ2 4.02Å; I30-W34 HydrophobicContact CG2-CH2 4.46Å; I30-W34 HydrophobicContact CG2-CZ2 3.81Å; I30-C111 HydrophobicContact CD1-CB 4.27Å; I30-C111 WeakPolarHBondContact CD1-SG 3.46Å; I30-Q114 HydrophobicContact CD1-CB 4.02Å; I30-Q114 VanDerWaalsContact CD1-OE1 3.32Å; I30-Y115 HydrophobicContact CD1-CD2 4.45Å; I30-Y115 HydrophobicContact CD1-CE2 4.21Å
31P93.4Very high93.5Very high8 Ų845.4 Ų45.45%0.05223%0.229CC..  trans-71.2146.5174.830.3-35.3000111.7W2 E33 W34W2-P31 HydrophobicContact CB-CB 3.87Å; W2-P31 CarbonylContact O-C 3.58Å; W2-P31 WeakPolarHBondContact O-CA 3.35Å; P31-E33 PolarHBondContact O-N 3.4Å; P31-W34 HydrophobicContact CG-CD2 3.85Å; P31-W34 HydrophobicContact CG-CE3 3.48Å; P31-W34 VanDerWaalsContact CG-CE3 3.48Å; P31-W34 HydrophobicContact CG-CH2 3.99Å; P31-W34 HydrophobicContact CG-CZ2 4.27Å; P31-W34 HydrophobicContact CG-CZ3 3.57Å
32T92.1Very high93.2Very high84 Ų8447.3 Ų47.352%0.51524%0.239SC..SBendtrans-71.3-6.4176.361.90000114.2W2 M3 K4W2-T32 WeakPolarHBondContact CA-OG1 3.22Å; W2-T32 PolarHBondContact O-N 2.9Å; M3-T32 PolarHBondContact N-OG1 3.17Å; K4-T32 HydrophobicContact CG-CG2 4.3Å
33E91.9Very high93Very high59 Ų5949.7 Ų49.728%0.27626%0.258SS..SBendtrans-156.7119.2-176.8179.3179.9-13700108.4W2 P31 R38 R41W2-E33 VanDerWaalsContact CD1-OE2 3.26Å; W2-E33 HydrophobicContact CG-CB 4.4Å; W2-E33 PolarHBondContact NE1-OE2 3.16Å; P31-E33 PolarHBondContact O-N 3.4Å; E33-R38 HydrophobicContact CG-CG 3.67Å; E33-R38 WeakPolarHBondContact OE1-CG 3.13Å; E33-R38 WeakPolarHBondContact OE2-CD 3.28Å; E33-R41 IonicContact OE1-CZ 3.59Å; E33-R41 IonicContact OE1-NE 3.91Å; E33-R41 IonicContact OE1-NH2 2.71Å; E33-R41 PolarHBondContact OE1-NH2 2.91Å
34W93.9Very high92.7Very high30 Ų3051.6 Ų51.611%0.11428%0.284CS..  trans-81.7151.9-178.8-65.7104.1000112.4I30 P31 S36 D37 R38 Q114 Y115 E118I30-W34 HydrophobicContact CD1-CH2 3.96Å; I30-W34 HydrophobicContact CD1-CZ2 4.02Å; I30-W34 HydrophobicContact CG2-CH2 4.46Å; I30-W34 HydrophobicContact CG2-CZ2 3.81Å; P31-W34 HydrophobicContact CG-CD2 3.85Å; P31-W34 HydrophobicContact CG-CE3 3.48Å; P31-W34 VanDerWaalsContact CG-CE3 3.48Å; P31-W34 HydrophobicContact CG-CH2 3.99Å; P31-W34 HydrophobicContact CG-CZ2 4.27Å; P31-W34 HydrophobicContact CG-CZ3 3.57Å; W34-S36 VanDerWaalsContact C-N 3.31Å; W34-S36 PolarHBondContact O-N 3.01Å; W34-D37 HydrophobicContact CB-CB 4.32Å; W34-D37 WeakPolarHBondContact CB-OD2 3.28Å; W34-D37 PolarHBondContact N-OD2 3.02Å; W34-D37 WeakPolarHBondContact O-CB 3.19Å; W34-D37 PolarHBondContact O-N 3.49Å; W34-R38 PolarHBondContact O-N 3.32Å; W34-R38 VanDerWaalsContact O-N 3.09Å; W34-Q114 HydrophobicContact CH2-CB 4.25Å; W34-Q114 HydrophobicContact CZ2-CB 4.07Å; W34-Y115 HydrophobicContact CH2-CD1 4Å; W34-Y115 HydrophobicContact CH2-CD2 4.46Å; W34-Y115 HydrophobicContact CH2-CE1 4.02Å; W34-Y115 HydrophobicContact CH2-CE2 4.49Å; W34-Y115 HydrophobicContact CH2-CG 4.23Å; W34-Y115 AromaticContact CZ3-CD1 3.62Å; W34-Y115 HydrophobicContact CZ3-CD1 3.62Å; W34-Y115 AromaticContact CZ3-CE1 3.56Å; W34-Y115 HydrophobicContact CZ3-CE1 3.56Å; W34-Y115 HydrophobicContact CZ3-CG 4.3Å; W34-E118 HydrophobicContact CD2-CB 4.38Å; W34-E118 HydrophobicContact CD2-CG 4.2Å; W34-E118 HydrophobicContact CE3-CB 3.88Å; W34-E118 HydrophobicContact CE3-CG 3.56Å; W34-E118 HydrophobicContact CZ3-CB 4Å; W34-E118 HydrophobicContact CZ3-CG 4.04Å
35P92.5Very high92.4Very high6 Ų656 Ų564%0.03932%0.315CS..Hα-helixtrans-57-38.7173.1-28.237.8000114.1R38 A39 I54 L75 E118 L122P35-R38 WeakPolarHBondContact O-CB 3.36Å; P35-R38 PolarHBondContact O-N 3.25Å; P35-A39 PolarHBondContact O-N 3.04Å; P35-A39 VanDerWaalsContact O-N 3.15Å; P35-I54 HydrophobicContact CB-CD1 4.11Å; P35-I54 WeakPolarHBondContact O-CD1 3.46Å; P35-I54 WeakPolarHBondContact O-CG2 3.3Å; P35-L75 HydrophobicContact CG-CD2 3.92Å; P35-E118 WeakPolarHBondContact CD-OE1 3.44Å; P35-L122 HydrophobicContact CB-CD1 4.15Å; P35-L122 HydrophobicContact CB-CD2 4.18Å
36S93.8Very high92.1Very high5 Ų559.8 Ų59.84%0.03533%0.334CS..Hα-helixtrans-65.6-43.4176.670.30000111.8W34 R38 A39 T40 E118 R121W34-S36 VanDerWaalsContact C-N 3.31Å; W34-S36 PolarHBondContact O-N 3.01Å; S36-R38 PolarHBondContact O-N 3.46Å; S36-A39 WeakPolarHBondContact O-CB 3.46Å; S36-A39 PolarHBondContact O-N 3.45Å; S36-T40 PolarHBondContact O-N 2.79Å; S36-T40 VanDerWaalsContact O-N 3.14Å; S36-E118 VanDerWaalsContact CB-OE1 3.23Å; S36-E118 WeakPolarHBondContact CB-OE1 3.45Å; S36-E118 WeakPolarHBondContact CB-OE2 3.42Å; S36-E118 PolarHBondContact N-OE1 3.11Å; S36-E118 VanDerWaalsContact OG-CD 3.24Å; S36-E118 PolarHBondContact OG-OE1 2.94Å; S36-E118 PolarHBondContact OG-OE2 3.34Å; S36-R121 WeakPolarHBondContact OG-CD 3.25Å
37D93.5Very high91.9Very high56 Ų5657.3 Ų57.330%0.29933%0.327SS..Hα-helixtrans-56.1-38172.3-63.4-27.4000111.9W34 T40 R41W34-D37 HydrophobicContact CB-CB 4.32Å; W34-D37 WeakPolarHBondContact CB-OD2 3.28Å; W34-D37 PolarHBondContact N-OD2 3.02Å; W34-D37 WeakPolarHBondContact O-CB 3.19Å; W34-D37 PolarHBondContact O-N 3.49Å; D37-T40 PolarHBondContact O-N 3.46Å; D37-T40 PolarHBondContact O-OG1 3.19Å; D37-R41 PolarHBondContact O-NH1 3Å; D37-R41 PolarHBondContact O-NH2 2.82Å
38R91.9Very high91.6Very high39 Ų3958 Ų5815%0.14733%0.334CS..Hα-helixtrans-67.2-38.1175.6-69.4-173.5-57.8119.77.6111.9W2 E33 W34 P35 S36 T40 R41 L42 I54W2-R38 VanDerWaalsContact CZ2-NE 3.33Å; E33-R38 HydrophobicContact CG-CG 3.67Å; E33-R38 WeakPolarHBondContact OE1-CG 3.13Å; E33-R38 WeakPolarHBondContact OE2-CD 3.28Å; W34-R38 PolarHBondContact O-N 3.32Å; W34-R38 VanDerWaalsContact O-N 3.09Å; P35-R38 WeakPolarHBondContact O-CB 3.36Å; P35-R38 PolarHBondContact O-N 3.25Å; S36-R38 PolarHBondContact O-N 3.46Å; R38-T40 VanDerWaalsContact C-N 3.34Å; R38-T40 PolarHBondContact O-N 3.28Å; R38-R41 PolarHBondContact O-N 3.21Å; R38-L42 WeakPolarHBondContact O-CG 3.03Å; R38-L42 PolarHBondContact O-N 3.35Å; R38-I54 HydrophobicContact CB-CG2 4.07Å; R38-I54 PolarHBondContact NH2-O 3.49Å
39A92.3Very high91.4Very high10 Ų1062.7 Ų62.78%0.08335%0.351CS..Hα-helixtrans-62.8-39.217700000112.2P35 S36 R41 L42 P50 I54 I125P35-A39 PolarHBondContact O-N 3.04Å; P35-A39 VanDerWaalsContact O-N 3.15Å; S36-A39 WeakPolarHBondContact O-CB 3.46Å; S36-A39 PolarHBondContact O-N 3.45Å; A39-R41 PolarHBondContact O-N 3.42Å; A39-L42 PolarHBondContact O-N 3.05Å; A39-P50 HydrophobicContact CB-CB 3.9Å; A39-I54 HydrophobicContact CB-CD1 3.83Å; A39-I54 HydrophobicContact CB-CG2 3.77Å; A39-I125 HydrophobicContact CB-CD1 4.16Å; A39-I125 HydrophobicContact CB-CG2 4.45Å
40T91.2Very high91.3Very high112 Ų11263.1 Ų63.169%0.68735%0.353SS*.Hα-helixtrans-67.8-15.5177.265.30000113.7S36 D37 R38S36-T40 PolarHBondContact O-N 2.79Å; S36-T40 VanDerWaalsContact O-N 3.14Å; D37-T40 PolarHBondContact O-N 3.46Å; D37-T40 PolarHBondContact O-OG1 3.19Å; R38-T40 VanDerWaalsContact C-N 3.34Å; R38-T40 PolarHBondContact O-N 3.28Å
41R91.3Very high91.2Very high136 Ų13660.7 Ų60.751%0.51334%0.34SS..THydrogen-bonded Turntrans-101.33.2175.3-70.3-172.3-68.5-76.84.5114.5E33 D37 R38 A39E33-R41 IonicContact OE1-CZ 3.59Å; E33-R41 IonicContact OE1-NE 3.91Å; E33-R41 IonicContact OE1-NH2 2.71Å; E33-R41 PolarHBondContact OE1-NH2 2.91Å; D37-R41 PolarHBondContact O-NH1 3Å; D37-R41 PolarHBondContact O-NH2 2.82Å; R38-R41 PolarHBondContact O-N 3.21Å; A39-R41 PolarHBondContact O-N 3.42Å
42L90.1Very high91.1Very high40 Ų4061.9 Ų61.921%0.20935%0.347CS..  trans-72.3137.9175.5-67.1175.2000110.7R38 A39 N46 A47 P50 T53 I54R38-L42 WeakPolarHBondContact O-CG 3.03Å; R38-L42 PolarHBondContact O-N 3.35Å; A39-L42 PolarHBondContact O-N 3.05Å; L42-N46 HydrophobicContact CB-CB 4.33Å; L42-N46 HydrophobicContact CD1-CB 4.44Å; L42-N46 HydrophobicContact CD2-CB 4.15Å; L42-A47 HydrophobicContact CB-CB 4.42Å; L42-A47 WeakPolarHBondContact O-CB 3.38Å; L42-P50 HydrophobicContact CD1-CB 4.43Å; L42-T53 HydrophobicContact CD1-CG2 3.7Å; L42-T53 HydrophobicContact CD2-CG2 3.88Å; L42-T53 HydrophobicContact CG-CG2 4.47Å; L42-I54 HydrophobicContact CD1-CG2 4.12Å
43T91.2Very high91Very high116 Ų11659.5 Ų59.571%0.71233%0.332SS*.  trans-125.7164.7176.757.30000110.8
44G90.2Very high90.8Very high61 Ų6156.8 Ų56.863%0.62932%0.32SS*.G310 helixtrans61.9-145.3-179.600000113.4N46 A47G44-N46 PolarHBondContact O-N 2.82Å; G44-N46 VanDerWaalsContact O-N 3.14Å; G44-A47 WeakPolarHBondContact O-CB 3.48Å; G44-A47 PolarHBondContact O-N 2.93Å
45S88.6Confident90.4Very high93 Ų9355.9 Ų55.965%0.6532%0.319SS*.G310 helixtrans-59.1-25.8-17751.10000114.5
46N87.7Confident89.2Confident81 Ų8159.5 Ų59.543%0.43334%0.335SS..G310 helixtrans-72.5-29.1177.2-65.2-35000112.4L42 G44 L48 R49 T53L42-N46 HydrophobicContact CB-CB 4.33Å; L42-N46 HydrophobicContact CD1-CB 4.44Å; L42-N46 HydrophobicContact CD2-CB 4.15Å; G44-N46 PolarHBondContact O-N 2.82Å; G44-N46 VanDerWaalsContact O-N 3.14Å; N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.38Å; N46-R49 CarbonylContact O-C 3.44Å; N46-R49 PolarHBondContact O-N 2.9Å; N46-R49 VanDerWaalsContact O-N 3.15Å; N46-T53 HydrophobicContact CB-CG2 4.12Å; N46-T53 PolarHBondContact O-OG1 3.26Å
47A89.8Confident87.6Confident43 Ų4361.2 Ų61.236%0.35535%0.347SS..THydrogen-bonded Turntrans-67.7-29.3179.500000112.8L42 G44 R49 P50L42-A47 HydrophobicContact CB-CB 4.42Å; L42-A47 WeakPolarHBondContact O-CB 3.38Å; G44-A47 WeakPolarHBondContact O-CB 3.48Å; G44-A47 PolarHBondContact O-N 2.93Å; A47-R49 PolarHBondContact O-N 2.71Å; A47-P50 WeakPolarHBondContact O-CD 3.46Å
48L87.4Confident85.8Confident143 Ų14363.9 Ų63.975%0.74936%0.356SS*.THydrogen-bonded Turntrans-66.1-17.8174.2-62.9172.7000113N46N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.38Å
49R89.6Confident84.3Confident125 Ų12568.7 Ų68.747%0.47238%0.378SS..SBendtrans-138.459.1-171.2-63.3-157.866.1-178.4-0.7111.1N46 A47 Y51 T52 T53 E129N46-R49 CarbonylContact O-C 3.44Å; N46-R49 PolarHBondContact O-N 2.9Å; N46-R49 VanDerWaalsContact O-N 3.15Å; A47-R49 PolarHBondContact O-N 2.71Å; R49-Y51 PolarHBondContact O-N 3.38Å; R49-T52 PolarHBondContact NE-OG1 3.36Å; R49-T52 PolarHBondContact NH2-OG1 3.4Å; R49-T53 WeakPolarHBondContact O-CB 3.39Å; R49-T53 PolarHBondContact O-N 2.89Å; R49-T53 VanDerWaalsContact O-N 3.08Å; R49-T53 PolarHBondContact O-OG1 2.91Å; R49-E129 VanDerWaalsContact C-OE2 3.28Å; R49-E129 IonicContact CZ-OE1 3.34Å; R49-E129 IonicContact NE-OE1 2.87Å; R49-E129 PolarHBondContact NE-OE1 3.1Å; R49-E129 IonicContact NH2-OE1 2.89Å; R49-E129 PolarHBondContact NH2-OE1 2.95Å
50P91.3Very high82.5Confident23 Ų2378.5 Ų78.515%0.14942%0.419CS..Hα-helixtrans-67.1-42.5-164.626-33000111.6A39 L42 A47 I54 I125A39-P50 HydrophobicContact CB-CB 3.9Å; L42-P50 HydrophobicContact CD1-CB 4.43Å; A47-P50 WeakPolarHBondContact O-CD 3.46Å; P50-I54 WeakPolarHBondContact O-CG1 3.47Å; P50-I54 PolarHBondContact O-N 3.15Å; P50-I54 VanDerWaalsContact O-N 3.09Å; P50-I125 HydrophobicContact CB-CG2 3.86Å; P50-I125 HydrophobicContact CG-CG2 3.72Å
51Y92.6Very high81.2Confident4 Ų478.8 Ų78.82%0.01641%0.407CS..Hα-helixtrans-68.7-48.5-177.9-178-96.7000112R49 T53 I54 A55 P67 R68 P69 L70 L122 H126 E129 F130R49-Y51 PolarHBondContact O-N 3.38Å; Y51-T53 VanDerWaalsContact C-N 3.26Å; Y51-T53 PolarHBondContact O-N 3.03Å; Y51-I54 WeakPolarHBondContact O-CG1 3.2Å; Y51-I54 PolarHBondContact O-N 3.07Å; Y51-A55 HydrophobicContact CD1-CB 4.31Å; Y51-A55 HydrophobicContact CE1-CB 3.75Å; Y51-A55 HydrophobicContact CE2-CB 4.12Å; Y51-A55 WeakPolarHBondContact O-CB 3.5Å; Y51-A55 PolarHBondContact O-N 3.37Å; Y51-P67 HydrophobicContact CD1-CG 4.04Å; Y51-P67 HydrophobicContact CE1-CB 4.12Å; Y51-P67 HydrophobicContact CE1-CG 3.7Å; Y51-R68 PolarHBondContact OH-O 3.22Å; Y51-P69 WeakPolarHBondContact OH-CA 3.4Å; Y51-L70 HydrophobicContact CE2-CD1 4.09Å; Y51-L70 VanDerWaalsContact OH-CD1 3.29Å; Y51-L70 WeakPolarHBondContact OH-CD1 3.43Å; Y51-L70 PolarHBondContact OH-N 3.33Å; Y51-L70 VanDerWaalsContact OH-N 3.09Å; Y51-L122 HydrophobicContact CE2-CB 4.35Å; Y51-H126 HydrophobicContact CD1-CB 4.25Å; Y51-H126 AromaticContact CD1-CD2 3.62Å; Y51-H126 HydrophobicContact CD2-CB 3.92Å; Y51-H126 AromaticContact CE1-CD2 3.67Å; Y51-H126 HydrophobicContact CE2-CB 4.33Å; Y51-H126 HydrophobicContact CG-CB 3.9Å; Y51-E129 WeakPolarHBondContact CA-OE2 3.33Å; Y51-E129 WeakPolarHBondContact CB-OE2 3.35Å; Y51-E129 PolarHBondContact N-OE2 3.29Å; Y51-E129 VanDerWaalsContact N-OE2 3.08Å; Y51-F130 HydrophobicContact CD1-CE2 4.36Å
52T90Very high80Confident34 Ų3482.5 Ų82.521%0.20942%0.421CS..Hα-helixtrans-66.4-30.3-179.949.50000112.9R49 E56 P67 E129 F130R49-T52 PolarHBondContact NE-OG1 3.36Å; R49-T52 PolarHBondContact NH2-OG1 3.4Å; T52-E56 PolarHBondContact O-N 2.93Å; T52-P67 HydrophobicContact CG2-CG 3.87Å; T52-E129 VanDerWaalsContact CG2-OE1 3.27Å; T52-E129 WeakPolarHBondContact CG2-OE1 3.35Å; T52-E129 PolarHBondContact N-OE2 3.23Å; T52-E129 PolarHBondContact OG1-OE1 3.42Å; T52-E129 PolarHBondContact OG1-OE2 3.19Å; T52-F130 HydrophobicContact CG2-CE2 3.8Å; T52-F130 HydrophobicContact CG2-CZ 3.58Å
53T89.4Confident79Confident33 Ų3390.4 Ų90.420%0.20245%0.454CS..Hα-helixtrans-65-53.7171.6-54.70000111L42 N46 R49 Y51 A55 E56L42-T53 HydrophobicContact CD1-CG2 3.7Å; L42-T53 HydrophobicContact CD2-CG2 3.88Å; L42-T53 HydrophobicContact CG-CG2 4.47Å; N46-T53 HydrophobicContact CB-CG2 4.12Å; N46-T53 PolarHBondContact O-OG1 3.26Å; R49-T53 WeakPolarHBondContact O-CB 3.39Å; R49-T53 PolarHBondContact O-N 2.89Å; R49-T53 VanDerWaalsContact O-N 3.08Å; R49-T53 PolarHBondContact O-OG1 2.91Å; Y51-T53 VanDerWaalsContact C-N 3.26Å; Y51-T53 PolarHBondContact O-N 3.03Å; T53-A55 PolarHBondContact O-N 3.15Å; T53-E56 WeakPolarHBondContact O-CA 3.31Å; T53-E56 VanDerWaalsContact O-CB 3.24Å; T53-E56 WeakPolarHBondContact O-CB 3.25Å; T53-E56 PolarHBondContact O-N 3.27Å
54I88.5Confident78.2Confident3 Ų391.5 Ų91.52%0.01546%0.456CS..Hα-helixtrans-73.7-28.6-175.266.2175.4000114.6P35 R38 A39 L42 P50 Y51 E56 L122P35-I54 HydrophobicContact CB-CD1 4.11Å; P35-I54 WeakPolarHBondContact O-CD1 3.46Å; P35-I54 WeakPolarHBondContact O-CG2 3.3Å; R38-I54 HydrophobicContact CB-CG2 4.07Å; R38-I54 PolarHBondContact NH2-O 3.49Å; A39-I54 HydrophobicContact CB-CD1 3.83Å; A39-I54 HydrophobicContact CB-CG2 3.77Å; L42-I54 HydrophobicContact CD1-CG2 4.12Å; P50-I54 WeakPolarHBondContact O-CG1 3.47Å; P50-I54 PolarHBondContact O-N 3.15Å; P50-I54 VanDerWaalsContact O-N 3.09Å; Y51-I54 WeakPolarHBondContact O-CG1 3.2Å; Y51-I54 PolarHBondContact O-N 3.07Å; I54-E56 VanDerWaalsContact C-N 3.35Å; I54-L122 HydrophobicContact CD1-CD2 3.34Å
55A84.9Confident77.8Confident11 Ų1191.8 Ų91.89%0.09145%0.448CS..Hα-helixtrans-81.3-18.9175.600000112.2Y51 T53 S57 L70Y51-A55 HydrophobicContact CD1-CB 4.31Å; Y51-A55 HydrophobicContact CE1-CB 3.75Å; Y51-A55 HydrophobicContact CE2-CB 4.12Å; Y51-A55 WeakPolarHBondContact O-CB 3.5Å; Y51-A55 PolarHBondContact O-N 3.37Å; T53-A55 PolarHBondContact O-N 3.15Å; A55-S57 VanDerWaalsContact C-N 3.26Å; A55-S57 PolarHBondContact O-N 3.39Å; A55-L70 HydrophobicContact CB-CD1 3.99Å
56E68.8Low77.8Confident81 Ų8190.3 Ų90.338%0.37943%0.432SS..  trans44.941.2157.7-145.5-171.2-7900115.1T52 T53 I54 K58 F941T52-E56 PolarHBondContact O-N 2.93Å; T53-E56 WeakPolarHBondContact O-CA 3.31Å; T53-E56 VanDerWaalsContact O-CB 3.24Å; T53-E56 WeakPolarHBondContact O-CB 3.25Å; T53-E56 PolarHBondContact O-N 3.27Å; I54-E56 VanDerWaalsContact C-N 3.35Å; E56-K58 VanDerWaalsContact C-N 3.33Å; E56-K58 WeakPolarHBondContact O-CG 3.38Å; E56-K58 PolarHBondContact O-N 2.99Å; E56-K58 WeakPolarHBondContact OE2-CE 3.15Å; E56-F941 HydrophobicContact CB-CE1 4.32Å; E56-F941 VanDerWaalsContact O-CE1 3.23Å; E56-F941 WeakPolarHBondContact O-CE1 3.38Å; E56-F941 VanDerWaalsContact O-CZ 3.28Å; E56-F941 WeakPolarHBondContact O-CZ 3.49Å
57S59Low77.9Confident41 Ų4187 Ų8729%0.28742%0.415SS..  trans-79.377-16573.70000112.9A55 K59 R61A55-S57 VanDerWaalsContact C-N 3.26Å; A55-S57 PolarHBondContact O-N 3.39Å; S57-K59 PolarHBondContact O-N 2.83Å; S57-R61 VanDerWaalsContact CB-NH2 3.31Å; S57-R61 VanDerWaalsContact OG-CZ 3.23Å; S57-R61 PolarHBondContact OG-NE 3.19Å; S57-R61 PolarHBondContact OG-NH2 3.11Å
58K57.2Low78Confident113 Ų11391 Ų9149%0.49142%0.421SS..  trans-51.1-13.5-174.8-59.4-174-174.8-177.50116.9E56 K60 T940 F941E56-K58 VanDerWaalsContact C-N 3.33Å; E56-K58 WeakPolarHBondContact O-CG 3.38Å; E56-K58 PolarHBondContact O-N 2.99Å; E56-K58 WeakPolarHBondContact OE2-CE 3.15Å; K58-K60 PolarHBondContact O-N 3.28Å; K58-T940 HydrophobicContact CD-CG2 4.47Å; K58-T940 WeakPolarHBondContact CD-O 3.35Å; K58-T940 PolarHBondContact NZ-O 3.02Å; K58-F941 HydrophobicContact CD-CD1 4.36Å; K58-F941 HydrophobicContact CD-CE1 4.21Å; K58-F941 HydrophobicContact CG-CE1 4.09Å; K58-F941 HydrophobicContact CG-CZ 4.22Å
59K58.5Low78.3Confident140 Ų14086.1 Ų86.161%0.60940%0.398SS*.SBendtrans-62.1133.5173.7-166.1161.4-171.2156.20109.5S57 R61 S935S57-K59 PolarHBondContact O-N 2.83Å; K59-R61 PolarHBondContact O-N 2.91Å; K59-S935 PolarHBondContact NZ-O 3.15Å
60K56.4Low78.5Confident216 Ų21681.1 Ų81.194%0.93938%0.38SS*.  trans-64.572.1174.8-169171.7-177.5170.20111.4K58K58-K60 PolarHBondContact O-N 3.28Å
61R62.3Low78.8Confident118 Ų11884.3 Ų84.345%0.44540%0.396SS..  trans-62.9159167.1-61.8-177.9-173.1-156.73.1107.9S57 K59 K63 P67S57-R61 VanDerWaalsContact CB-NH2 3.31Å; S57-R61 VanDerWaalsContact OG-CZ 3.23Å; S57-R61 PolarHBondContact OG-NE 3.19Å; S57-R61 PolarHBondContact OG-NH2 3.11Å; K59-R61 PolarHBondContact O-N 2.91Å; R61-K63 PolarHBondContact O-N 3.34Å; R61-P67 VanDerWaalsContact NH1-CB 3.3Å
62R66.7Low79Confident213 Ų21385 Ų8580%0.80440%0.401SS*.  trans-57.1136.8166.6-62.1-67.5-178.8160.5-1.5107.2D64 S65R62-D64 PolarHBondContact O-N 3.38Å; R62-S65 VanDerWaalsContact O-CB 3.31Å; R62-S65 WeakPolarHBondContact O-CB 3.1Å; R62-S65 PolarHBondContact O-N 3.31Å
63K68.3Low79.3Confident207 Ų20784.1 Ų84.190%0.940%0.395SS*.THydrogen-bonded Turntrans-50.1-32.2-171.3-171.886.6172.5-168.90112.1R61R61-K63 PolarHBondContact O-N 3.34Å
64D75.2Confident79.6Confident139 Ų13984.5 Ų84.574%0.74340%0.395SS*.THydrogen-bonded Turntrans-101.56.7-170-16.4-82.3000112.4R62 I66R62-D64 PolarHBondContact O-N 3.38Å; D64-I66 PolarHBondContact O-N 2.95Å
65S82.4Confident79.9Confident66 Ų6684.6 Ų84.646%0.46240%0.395SS..  trans-94.190.7-176.7-179.30000111.9R62R62-S65 VanDerWaalsContact O-CB 3.31Å; R62-S65 WeakPolarHBondContact O-CB 3.1Å; R62-S65 PolarHBondContact O-N 3.31Å
66I88.1Confident80.4Confident62 Ų6284 Ų8432%0.31839%0.391SS..PPolyproline II helixtrans-47.9128.4174.4-58.5171.7000111D64 F130 Y133D64-I66 PolarHBondContact O-N 2.95Å; I66-F130 HydrophobicContact CB-CD1 4.37Å; I66-F130 HydrophobicContact CB-CE1 4.47Å; I66-F130 HydrophobicContact CD1-CB 4.42Å; I66-F130 HydrophobicContact CD1-CD1 3.73Å; I66-F130 HydrophobicContact CD1-CE1 4.35Å; I66-F130 HydrophobicContact CD1-CG 4.28Å; I66-F130 HydrophobicContact CG1-CD1 3.76Å; I66-F130 HydrophobicContact CG1-CE1 3.9Å; I66-F130 HydrophobicContact CG1-CG 4.41Å; I66-F130 HydrophobicContact CG2-CB 4.06Å; I66-F130 HydrophobicContact CG2-CD1 3.7Å; I66-F130 HydrophobicContact CG2-CD2 3.63Å; I66-F130 HydrophobicContact CG2-CE1 3.99Å; I66-F130 HydrophobicContact CG2-CE2 3.92Å; I66-F130 HydrophobicContact CG2-CG 3.5Å; I66-F130 HydrophobicContact CG2-CZ 4.09Å; I66-Y133 HydrophobicContact CB-CD2 3.82Å; I66-Y133 HydrophobicContact CB-CE2 4.02Å; I66-Y133 HydrophobicContact CD1-CD2 4.17Å; I66-Y133 HydrophobicContact CG2-CD2 3.4Å; I66-Y133 HydrophobicContact CG2-CE2 3.77Å; I66-Y133 HydrophobicContact CG2-CG 4.27Å
67P89.2Confident81.7Confident12 Ų1280.2 Ų80.28%0.07837%0.373CS..PPolyproline II helixtrans-67.8151173.430.6-37.8000111.7Y51 T52 R61 H126 F130Y51-P67 HydrophobicContact CD1-CG 4.04Å; Y51-P67 HydrophobicContact CE1-CB 4.12Å; Y51-P67 HydrophobicContact CE1-CG 3.7Å; T52-P67 HydrophobicContact CG2-CG 3.87Å; R61-P67 VanDerWaalsContact NH1-CB 3.3Å; P67-H126 PolarHBondContact O-CD2 3.11Å; P67-H126 PolarHBondContact O-NE2 3.07Å; P67-F130 HydrophobicContact CG-CE2 4.32Å
68R92.6Very high83.4Confident126 Ų12679 Ų7948%0.47536%0.362SS..PPolyproline II helixtrans-65.9154162.5-60.2177.9-173.3-89.116.3110.2Y51 Y135Y51-R68 PolarHBondContact OH-O 3.22Å; R68-Y135 VanDerWaalsContact NH1-CZ 3.31Å; R68-Y135 PolarHBondContact NH2-OH 2.97Å
69P94.7Very high85.1Confident41 Ų4173.8 Ų73.827%0.26634%0.34SS..PPolyproline II helixtrans-56.2150.8157.525.9-33.5000111Y51 V123 H126Y51-P69 WeakPolarHBondContact OH-CA 3.4Å; P69-V123 HydrophobicContact CB-CG2 3.85Å; P69-V123 HydrophobicContact CG-CG2 4.09Å; P69-H126 HydrophobicContact CB-CB 4.2Å
70L93.7Very high86.9Confident20 Ų2067.1 Ų67.111%0.10531%0.311CS..PPolyproline II helixtrans-78.1135.1168.3-62.5108.9000109.1Y51 A55 M74 L75 L122Y51-L70 HydrophobicContact CE2-CD1 4.09Å; Y51-L70 VanDerWaalsContact OH-CD1 3.29Å; Y51-L70 WeakPolarHBondContact OH-CD1 3.43Å; Y51-L70 PolarHBondContact OH-N 3.33Å; Y51-L70 VanDerWaalsContact OH-N 3.09Å; A55-L70 HydrophobicContact CB-CD1 3.99Å; L70-M74 HydrophobicContact CB-CB 4.31Å; L70-M74 HydrophobicContact CD2-CB 4.25Å; L70-L75 HydrophobicContact CB-CD2 3.99Å; L70-L75 HydrophobicContact CB-CG 3.97Å; L70-L75 HydrophobicContact CD1-CD2 4.43Å; L70-L75 HydrophobicContact CD2-CD2 4.24Å; L70-L75 HydrophobicContact CG-CD2 4.46Å; L70-L122 HydrophobicContact CB-CD1 4.33Å; L70-L122 HydrophobicContact CD1-CD1 4.07Å
71N96.6Very high88.7Confident90 Ų9056.9 Ų56.948%0.48127%0.266SS..PPolyproline II helixtrans-88.1173.3166.373.80.1000111.1F73 M74 L75N71-F73 PolarHBondContact O-N 2.93Å; N71-M74 WeakPolarHBondContact O-CB 3.24Å; N71-M74 PolarHBondContact O-N 2.95Å; N71-M74 VanDerWaalsContact OD1-CB 3.28Å; N71-M74 WeakPolarHBondContact OD1-CB 3.42Å; N71-M74 WeakPolarHBondContact OD1-CG 3.1Å; N71-M74 PolarHBondContact OD1-N 3.38Å; N71-L75 WeakPolarHBondContact O-CG 3.4Å; N71-L75 PolarHBondContact O-N 2.94Å
72S97.1Very high90.1Very high18 Ų1853.4 Ų53.413%0.12625%0.253CS..Hα-helixtrans-52.6-49.7-176.6-10.80000112.8M74 L75 F76 D116S72-M74 PolarHBondContact O-N 3.5Å; S72-L75 WeakPolarHBondContact O-CB 3.45Å; S72-L75 PolarHBondContact O-N 3.44Å; S72-F76 PolarHBondContact O-N 3.27Å; S72-D116 WeakPolarHBondContact CB-OD1 3.41Å; S72-D116 PolarHBondContact OG-OD1 3.32Å
73F96.9Very high91.4Very high16 Ų1643.7 Ų43.77%0.0722%0.218CC..Hα-helixtrans-62.2-43.2175.3175.8-101.6000112.2N71 L75 F76 A77 L100 W104 F929 M933N71-F73 PolarHBondContact O-N 2.93Å; F73-L75 PolarHBondContact O-N 2.96Å; F73-F76 HydrophobicContact CD2-CD1 4.26Å; F73-F76 HydrophobicContact CE2-CD1 4.3Å; F73-F76 PolarHBondContact O-N 3.33Å; F73-A77 HydrophobicContact CD1-CB 4.37Å; F73-A77 HydrophobicContact CE1-CB 3.9Å; F73-A77 HydrophobicContact CE2-CB 4.25Å; F73-A77 HydrophobicContact CZ-CB 3.85Å; F73-A77 WeakPolarHBondContact O-CB 3.08Å; F73-A77 PolarHBondContact O-N 3.13Å; F73-L100 HydrophobicContact CE2-CB 4.43Å; F73-L100 HydrophobicContact CZ-CB 4.29Å; F73-W104 HydrophobicContact CB-CZ2 4.4Å; F73-W104 HydrophobicContact CD2-CB 3.72Å; F73-W104 AromaticContact CD2-CD1 3.67Å; F73-W104 AromaticContact CD2-CD2 3.88Å; F73-W104 HydrophobicContact CD2-CD2 3.88Å; F73-W104 AromaticContact CD2-CG 3.48Å; F73-W104 HydrophobicContact CD2-CG 3.48Å; F73-W104 VanDerWaalsContact CD2-CG 3.48Å; F73-W104 HydrophobicContact CE2-CB 3.77Å; F73-W104 HydrophobicContact CE2-CG 4.06Å; F73-F929 HydrophobicContact CD1-CE2 4.3Å; F73-F929 HydrophobicContact CD1-CZ 4.08Å; F73-F929 HydrophobicContact CE1-CE1 4.46Å; F73-F929 HydrophobicContact CE1-CE2 4.13Å; F73-F929 AromaticContact CE1-CZ 3.52Å; F73-F929 HydrophobicContact CE1-CZ 3.52Å; F73-F929 HydrophobicContact CZ-CE1 4.48Å; F73-F929 AromaticContact CZ-CZ 3.77Å; F73-F929 HydrophobicContact CZ-CZ 3.77Å; F73-M933 HydrophobicContact CD1-CE 4.09Å; F73-M933 HydrophobicContact CE1-CE 3.63Å; F73-M933 HydrophobicContact CE1-SD 4.04Å
74M95.2Very high92.7Very high41 Ų4133.9 Ų33.920%0.20218%0.175CC..Hα-helixtrans-65-28178.9-75.9-59.9-51.700112.6L70 N71 S72 Q78 M933 I936L70-M74 HydrophobicContact CB-CB 4.31Å; L70-M74 HydrophobicContact CD2-CB 4.25Å; N71-M74 WeakPolarHBondContact O-CB 3.24Å; N71-M74 PolarHBondContact O-N 2.95Å; N71-M74 VanDerWaalsContact OD1-CB 3.28Å; N71-M74 WeakPolarHBondContact OD1-CB 3.42Å; N71-M74 WeakPolarHBondContact OD1-CG 3.1Å; N71-M74 PolarHBondContact OD1-N 3.38Å; S72-M74 PolarHBondContact O-N 3.5Å; M74-Q78 WeakPolarHBondContact O-CB 3.41Å; M74-Q78 PolarHBondContact O-N 3.49Å; M74-M933 HydrophobicContact SD-CE 3.86Å; M74-M933 HydrophobicContact SD-SD 4.21Å; M74-I936 HydrophobicContact CE-CD1 3.85Å; M74-I936 HydrophobicContact SD-CD1 4.26Å
75L94.5Very high93.6Very high5 Ų527.4 Ų27.43%0.02614%0.14CC..Hα-helixtrans-72.3-49172.3-69.8164.3000112P35 L70 N71 S72 F73 Q78 H79 Y115 E118 A119 L122P35-L75 HydrophobicContact CG-CD2 3.92Å; L70-L75 HydrophobicContact CB-CD2 3.99Å; L70-L75 HydrophobicContact CB-CG 3.97Å; L70-L75 HydrophobicContact CD1-CD2 4.43Å; L70-L75 HydrophobicContact CD2-CD2 4.24Å; L70-L75 HydrophobicContact CG-CD2 4.46Å; N71-L75 WeakPolarHBondContact O-CG 3.4Å; N71-L75 PolarHBondContact O-N 2.94Å; S72-L75 WeakPolarHBondContact O-CB 3.45Å; S72-L75 PolarHBondContact O-N 3.44Å; F73-L75 PolarHBondContact O-N 2.96Å; L75-Q78 PolarHBondContact O-N 2.87Å; L75-H79 PolarHBondContact O-N 3.4Å; L75-Y115 HydrophobicContact CB-CD1 3.61Å; L75-Y115 HydrophobicContact CB-CE1 3.85Å; L75-E118 HydrophobicContact CD1-CB 4.17Å; L75-E118 HydrophobicContact CD1-CG 3.71Å; L75-A119 HydrophobicContact CD1-CB 4.01Å; L75-L122 HydrophobicContact CD1-CD1 3.97Å; L75-L122 HydrophobicContact CD2-CD1 3.4Å; L75-L122 VanDerWaalsContact CD2-CD1 3.4Å; L75-L122 HydrophobicContact CG-CD1 4.17Å
76F96Very high94Very high0 Ų029.6 Ų29.60%014%0.138CC..Hα-helixtrans-57.6-53.1174.8168.6-102.5000111.6T25 S72 F73 Q78 H79 I80 L100 L103 W104 V107 Y115T25-F76 HydrophobicContact CG2-CE2 3.82Å; T25-F76 HydrophobicContact CG2-CZ 3.59Å; S72-F76 PolarHBondContact O-N 3.27Å; F73-F76 HydrophobicContact CD2-CD1 4.26Å; F73-F76 HydrophobicContact CE2-CD1 4.3Å; F73-F76 PolarHBondContact O-N 3.33Å; F76-Q78 PolarHBondContact O-N 3.15Å; F76-H79 PolarHBondContact O-N 3.19Å; F76-H79 VanDerWaalsContact O-N 3.1Å; F76-I80 HydrophobicContact CD2-CG1 3.95Å; F76-I80 HydrophobicContact CE2-CD1 4.2Å; F76-I80 HydrophobicContact CE2-CG1 3.67Å; F76-I80 HydrophobicContact CZ-CG1 4.02Å; F76-I80 WeakPolarHBondContact O-CG1 3.43Å; F76-I80 PolarHBondContact O-N 3.39Å; F76-L100 HydrophobicContact CD1-CD2 4.45Å; F76-L100 HydrophobicContact CE1-CD2 3.85Å; F76-L100 HydrophobicContact CZ-CD2 4.32Å; F76-L103 HydrophobicContact CZ-CB 4.4Å; F76-W104 HydrophobicContact CB-CE3 3.75Å; F76-W104 HydrophobicContact CB-CH2 4.41Å; F76-W104 HydrophobicContact CB-CZ3 3.54Å; F76-W104 HydrophobicContact CD1-CB 4.13Å; F76-W104 HydrophobicContact CD1-CD2 4.15Å; F76-W104 AromaticContact CD1-CE3 3.45Å; F76-W104 HydrophobicContact CD1-CE3 3.45Å; F76-W104 VanDerWaalsContact CD1-CE3 3.45Å; F76-W104 HydrophobicContact CD1-CG 4.47Å; F76-W104 HydrophobicContact CD1-CZ3 4.17Å; F76-W104 AromaticContact CD2-CE3 3.98Å; F76-W104 HydrophobicContact CD2-CE3 3.98Å; F76-W104 HydrophobicContact CD2-CZ3 4.12Å; F76-W104 HydrophobicContact CE1-CB 3.84Å; F76-W104 AromaticContact CE1-CE3 3.97Å; F76-W104 HydrophobicContact CE1-CE3 3.97Å; F76-W104 HydrophobicContact CE2-CE3 4.43Å; F76-W104 HydrophobicContact CG-CD2 4.5Å; F76-W104 AromaticContact CG-CE3 3.44Å; F76-W104 HydrophobicContact CG-CE3 3.44Å; F76-W104 VanDerWaalsContact CG-CE3 3.44Å; F76-W104 AromaticContact CG-CZ3 3.69Å; F76-W104 HydrophobicContact CG-CZ3 3.69Å; F76-W104 HydrophobicContact CZ-CE3 4.42Å; F76-V107 HydrophobicContact CE2-CG2 3.65Å; F76-V107 HydrophobicContact CZ-CG2 3.74Å; F76-Y115 VanDerWaalsContact CA-CE1 3.46Å; F76-Y115 HydrophobicContact CB-CD1 4.19Å; F76-Y115 HydrophobicContact CB-CD2 4.27Å; F76-Y115 HydrophobicContact CB-CE1 3.92Å; F76-Y115 HydrophobicContact CB-CE2 3.99Å; F76-Y115 HydrophobicContact CB-CG 4.34Å; F76-Y115 AromaticContact CD2-CE2 3.8Å; F76-Y115 HydrophobicContact CD2-CE2 3.8Å; F76-Y115 HydrophobicContact CG-CE2 4.39Å; F76-Y115 VanDerWaalsContact N-CE1 3.3Å
77A95.9Very high94.3Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-63.5-25.9177.500000112.7F73 R81 L100F73-A77 HydrophobicContact CD1-CB 4.37Å; F73-A77 HydrophobicContact CE1-CB 3.9Å; F73-A77 HydrophobicContact CE2-CB 4.25Å; F73-A77 HydrophobicContact CZ-CB 3.85Å; F73-A77 WeakPolarHBondContact O-CB 3.08Å; F73-A77 PolarHBondContact O-N 3.13Å; A77-R81 WeakPolarHBondContact O-CB 3.44Å; A77-R81 PolarHBondContact O-N 2.81Å; A77-R81 PolarHBondContact O-NH1 2.84Å; A77-L100 HydrophobicContact CB-CD1 4.02Å
78Q93.5Very high94.4Very high15 Ų1530.4 Ų30.47%0.0714%0.142CC..Hα-helixtrans-75.1-40172.4177.1175.1-110.700112.2M74 L75 F76 R82M74-Q78 WeakPolarHBondContact O-CB 3.41Å; M74-Q78 PolarHBondContact O-N 3.49Å; L75-Q78 PolarHBondContact O-N 2.87Å; F76-Q78 PolarHBondContact O-N 3.15Å; Q78-R82 VanDerWaalsContact CG-CZ 3.46Å; Q78-R82 WeakPolarHBondContact O-CB 3.23Å; Q78-R82 WeakPolarHBondContact O-CD 3.24Å; Q78-R82 VanDerWaalsContact O-CG 3.25Å; Q78-R82 WeakPolarHBondContact O-CG 3.46Å; Q78-R82 PolarHBondContact O-N 3.28Å
79H94.3Very high94.4Very high5 Ų528.2 Ų28.22%0.02315%0.146CC..Hα-helixtrans-64.8-58.7176.2171.551.1000111.2W2 H28 L75 F76 R82 N83 Y115W2-H79 PolarHBondContact O-CE1 3.09Å; H28-H79 PolarHBondContact O-NE2 2.97Å; L75-H79 PolarHBondContact O-N 3.4Å; F76-H79 PolarHBondContact O-N 3.19Å; F76-H79 VanDerWaalsContact O-N 3.1Å; H79-R82 PolarHBondContact O-N 3.3Å; H79-N83 PolarHBondContact CE1-ND2 3.4Å; H79-N83 PolarHBondContact ND1-ND2 3.49Å; H79-N83 PolarHBondContact O-N 3.33Å; H79-N83 PolarHBondContact O-ND2 3.09Å; H79-Y115 PolarHBondContact CD2-OH 3.13Å; H79-Y115 VanDerWaalsContact CD2-OH 3.27Å
80I95Very high94.3Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-66.8-48.3-174.7-53.2-65.3000110.7L24 T25 F76 R82 N83 V84 L100L24-I80 HydrophobicContact CB-CD1 4.11Å; L24-I80 HydrophobicContact CB-CG2 4.24Å; L24-I80 HydrophobicContact CD1-CG2 4.1Å; T25-I80 HydrophobicContact CG2-CD1 4.09Å; T25-I80 HydrophobicContact CG2-CG1 4.27Å; F76-I80 HydrophobicContact CD2-CG1 3.95Å; F76-I80 HydrophobicContact CE2-CD1 4.2Å; F76-I80 HydrophobicContact CE2-CG1 3.67Å; F76-I80 HydrophobicContact CZ-CG1 4.02Å; F76-I80 WeakPolarHBondContact O-CG1 3.43Å; F76-I80 PolarHBondContact O-N 3.39Å; I80-R82 VanDerWaalsContact C-N 3.25Å; I80-R82 PolarHBondContact O-N 2.91Å; I80-R82 VanDerWaalsContact O-N 3.16Å; I80-N83 PolarHBondContact O-N 3Å; I80-V84 HydrophobicContact CG2-CG2 4.09Å; I80-V84 WeakPolarHBondContact O-CG2 3.39Å; I80-V84 PolarHBondContact O-N 2.74Å; I80-L100 HydrophobicContact CB-CD2 3.62Å; I80-L100 HydrophobicContact CG1-CD2 4.26Å; I80-L100 HydrophobicContact CG2-CD2 3.6Å
81R94.7Very high94.2Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-58.1-34-179.6-166.2-178.1-68.4107-19.6112.9A77 V84 L85 I96 S97 L100A77-R81 WeakPolarHBondContact O-CB 3.44Å; A77-R81 PolarHBondContact O-N 2.81Å; A77-R81 PolarHBondContact O-NH1 2.84Å; R81-V84 PolarHBondContact O-N 2.94Å; R81-L85 HydrophobicContact CG-CD1 3.93Å; R81-L85 HydrophobicContact CG-CG 4.27Å; R81-L85 WeakPolarHBondContact O-CB 3.33Å; R81-L85 WeakPolarHBondContact O-CG 3.46Å; R81-L85 PolarHBondContact O-N 3.27Å; R81-I96 HydrophobicContact CB-CG2 4.29Å; R81-I96 HydrophobicContact CG-CG2 3.84Å; R81-S97 PolarHBondContact NH2-OG 3.12Å; R81-L100 HydrophobicContact CB-CD1 3.96Å
82R92.7Very high94Very high46 Ų4631.6 Ų31.617%0.17417%0.17CC..Hα-helixtrans-69.4-35.7174.9-77.7178.9176.7147.78.5113W2 Q78 H79 I80 R86 I938 F941W2-R82 VanDerWaalsContact CH2-NH1 3.26Å; W2-R82 VanDerWaalsContact CZ3-NH1 3.3Å; Q78-R82 VanDerWaalsContact CG-CZ 3.46Å; Q78-R82 WeakPolarHBondContact O-CB 3.23Å; Q78-R82 WeakPolarHBondContact O-CD 3.24Å; Q78-R82 VanDerWaalsContact O-CG 3.25Å; Q78-R82 WeakPolarHBondContact O-CG 3.46Å; Q78-R82 PolarHBondContact O-N 3.28Å; H79-R82 PolarHBondContact O-N 3.3Å; I80-R82 VanDerWaalsContact C-N 3.25Å; I80-R82 PolarHBondContact O-N 2.91Å; I80-R82 VanDerWaalsContact O-N 3.16Å; R82-R86 PolarHBondContact O-N 2.97Å; R82-I938 HydrophobicContact CG-CG2 3.78Å; R82-F941 VanDerWaalsContact NH2-CD1 3.27Å
83N93.9Very high93.8Very high9 Ų931.8 Ų31.85%0.04817%0.17CC..Hα-helixtrans-76.1-28.3174.8-70.6-62.7000112.6W20 L24 H79 I80W20-N83 PolarHBondContact NE1-O 2.98Å; L24-N83 HydrophobicContact CD1-CB 3.82Å; L24-N83 HydrophobicContact CD2-CB 4.01Å; H79-N83 PolarHBondContact CE1-ND2 3.4Å; H79-N83 PolarHBondContact ND1-ND2 3.49Å; H79-N83 PolarHBondContact O-N 3.33Å; H79-N83 PolarHBondContact O-ND2 3.09Å; I80-N83 PolarHBondContact O-N 3Å
84V94.9Very high93.7Very high0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-70.1-55.8172.4175.70000111.5L17 M21 L24 I80 R81 R86 V87 F88 I96L17-V84 HydrophobicContact CD1-CG1 3.43Å; L17-V84 VanDerWaalsContact CD1-CG1 3.43Å; M21-V84 HydrophobicContact CG-CG1 4.33Å; M21-V84 HydrophobicContact CG-CG2 3.39Å; M21-V84 HydrophobicContact SD-CG1 4.17Å; M21-V84 HydrophobicContact SD-CG2 3.94Å; L24-V84 HydrophobicContact CD1-CG2 3.8Å; I80-V84 HydrophobicContact CG2-CG2 4.09Å; I80-V84 WeakPolarHBondContact O-CG2 3.39Å; I80-V84 PolarHBondContact O-N 2.74Å; R81-V84 PolarHBondContact O-N 2.94Å; V84-R86 PolarHBondContact O-N 3.1Å; V84-V87 PolarHBondContact O-N 3.15Å; V84-F88 PolarHBondContact O-N 2.89Å; V84-I96 HydrophobicContact CB-CG2 4.38Å; V84-I96 HydrophobicContact CG1-CD1 3.75Å; V84-I96 HydrophobicContact CG1-CG1 3.94Å; V84-I96 HydrophobicContact CG1-CG2 4.12Å
85L93.4Very high93.7Very high3 Ų334 Ų342%0.01619%0.188CC..Hα-helixtrans-63.4-15-178.4-70.8173.1000113.9R81 S89 I96 I938 T939R81-L85 HydrophobicContact CG-CD1 3.93Å; R81-L85 HydrophobicContact CG-CG 4.27Å; R81-L85 WeakPolarHBondContact O-CB 3.33Å; R81-L85 WeakPolarHBondContact O-CG 3.46Å; R81-L85 PolarHBondContact O-N 3.27Å; L85-S89 VanDerWaalsContact O-CA 3.31Å; L85-S89 WeakPolarHBondContact O-CA 3.38Å; L85-S89 WeakPolarHBondContact O-CB 3.48Å; L85-I96 HydrophobicContact CD2-CD1 3.58Å; L85-I96 HydrophobicContact CG-CD1 4.05Å; L85-I938 HydrophobicContact CD1-CB 4.12Å; L85-I938 HydrophobicContact CD1-CG2 4.41Å; L85-T939 HydrophobicContact CD1-CG2 4.26Å; L85-T939 HydrophobicContact CD2-CG2 4.29Å
86R91.7Very high93.7Very high112 Ų11233.8 Ų33.842%0.42319%0.187SC..THydrogen-bonded Turntrans-72.3-28.9170.8-175.3179.374.3107.3-11.2112.9M1 D5 R82 V84M1-R86 VanDerWaalsContact CE-NH2 3.3Å; M1-R86 VanDerWaalsContact SD-CZ 3.55Å; M1-R86 PolarHBondContact SD-NH2 3.04Å; M1-R86 VanDerWaalsContact SD-NH2 3.37Å; D5-R86 IonicContact OD1-NH2 3.07Å; D5-R86 IonicContact OD2-NH2 3.64Å; D5-R86 PolarHBondContact OD2-NH2 3.34Å; R82-R86 PolarHBondContact O-N 2.97Å; V84-R86 PolarHBondContact O-N 3.1Å
87V93.1Very high93.7Very high49 Ų4933.8 Ų33.830%0.29719%0.187SC..THydrogen-bonded Turntrans-103.5-45.6-176.5-178.30000110.4K13 W20 V84K13-V87 HydrophobicContact CB-CG1 4.21Å; K13-V87 HydrophobicContact CD-CG2 4.34Å; K13-V87 HydrophobicContact CG-CG1 4.1Å; K13-V87 HydrophobicContact CG-CG2 4.18Å; W20-V87 HydrophobicContact CZ2-CG2 4Å; V84-V87 PolarHBondContact O-N 3.15Å
88F92.7Very high93.7Very high42 Ų4239.1 Ų39.118%0.18421%0.212CC..  trans-114.476.2177.7-55.2-79000108.8L17 W20 V84 D90 A91L17-F88 HydrophobicContact CD1-CB 4.31Å; L17-F88 HydrophobicContact CD1-CD2 3.92Å; L17-F88 HydrophobicContact CD1-CG 4.23Å; W20-F88 HydrophobicContact CB-CE2 3.78Å; W20-F88 AromaticContact CD1-CD2 3.89Å; W20-F88 AromaticContact CD1-CE2 3.64Å; W20-F88 AromaticContact CG-CE2 3.93Å; W20-F88 HydrophobicContact CG-CE2 3.93Å; V84-F88 PolarHBondContact O-N 2.89Å; F88-D90 PolarHBondContact O-N 2.89Å; F88-A91 HydrophobicContact CB-CB 3.75Å; F88-A91 WeakPolarHBondContact O-CB 3.34Å; F88-A91 PolarHBondContact O-N 2.86Å
89S92.2Very high93.9Very high80 Ų8039.9 Ų39.956%0.55922%0.216SC*.THydrogen-bonded Turntrans-74.1-13.8-176.7570000113.9L85L85-S89 VanDerWaalsContact O-CA 3.31Å; L85-S89 WeakPolarHBondContact O-CA 3.38Å; L85-S89 WeakPolarHBondContact O-CB 3.48Å
90D92.3Very high94Very high141 Ų14139.7 Ų39.775%0.75422%0.215SC*.THydrogen-bonded Turntrans-91.2-1817465.7-37.5000113.4F88 S92F88-D90 PolarHBondContact O-N 2.89Å; D90-S92 PolarHBondContact O-N 3.12Å
91A91.6Very high94.1Very high19 Ų1940 Ų4016%0.15722%0.219CC..SBendtrans-63.4127.9179.700000111.3L17 F88 N93 I96L17-A91 HydrophobicContact CD1-CB 4.25Å; L17-A91 HydrophobicContact CD2-CB 4.1Å; F88-A91 HydrophobicContact CB-CB 3.75Å; F88-A91 WeakPolarHBondContact O-CB 3.34Å; F88-A91 PolarHBondContact O-N 2.86Å; A91-N93 PolarHBondContact O-N 3.23Å; A91-I96 HydrophobicContact CB-CD1 3.96Å; A91-I96 HydrophobicContact CB-CG1 4.26Å
92S92.9Very high94.1Very high63 Ų6343.8 Ų43.844%0.44124%0.239SC..  trans-62130.2-177.8-177.90000111.3D90 S94 V95 I96D90-S92 PolarHBondContact O-N 3.12Å; S92-S94 WeakPolarHBondContact CB-OG 3.33Å; S92-S94 PolarHBondContact O-N 3.28Å; S92-S94 PolarHBondContact OG-N 2.71Å; S92-S94 PolarHBondContact OG-OG 3.44Å; S92-V95 PolarHBondContact O-N 2.93Å; S92-I96 WeakPolarHBondContact O-CG1 3.38Å; S92-I96 PolarHBondContact O-N 2.94Å
93N92.4Very high94.3Very high22 Ų2241.9 Ų41.912%0.11823%0.232CC..Hα-helixtrans-49-28.3169.4-73.1-72.9000112.2A91 S97 D937A91-N93 PolarHBondContact O-N 3.23Å; N93-S97 VanDerWaalsContact O-CB 3.23Å; N93-S97 WeakPolarHBondContact O-CB 3.21Å; N93-S97 PolarHBondContact O-N 3.41Å; N93-S97 PolarHBondContact O-OG 3.24Å; N93-D937 VanDerWaalsContact ND2-CG 3.34Å; N93-D937 PolarHBondContact ND2-OD1 2.9Å
94S94.7Very high94.4Very high44 Ų4443.4 Ų43.431%0.30824%0.237SC..Hα-helixtrans-62.8-55176.266.50000112.4S92 I96 S97 Q98 N934S92-S94 WeakPolarHBondContact CB-OG 3.33Å; S92-S94 PolarHBondContact O-N 3.28Å; S92-S94 PolarHBondContact OG-N 2.71Å; S92-S94 PolarHBondContact OG-OG 3.44Å; S94-I96 PolarHBondContact O-N 3.37Å; S94-S97 PolarHBondContact O-N 2.52Å; S94-S97 VanDerWaalsContact O-N 3.11Å; S94-Q98 PolarHBondContact O-N 3.04Å; S94-N934 WeakPolarHBondContact CA-OD1 3.33Å; S94-N934 WeakPolarHBondContact CB-OD1 3.38Å
95V94.7Very high94.5Very high59 Ų5950.5 Ų50.536%0.35826%0.264SS..Hα-helixtrans-62.6-45.2-178.5178.60000110.2L17 S92 S97 Q98 Q99L17-V95 HydrophobicContact CD2-CG1 4.06Å; S92-V95 PolarHBondContact O-N 2.93Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 3.26Å; V95-Q98 PolarHBondContact O-N 2.88Å; V95-Q99 WeakPolarHBondContact O-CG 3.42Å; V95-Q99 PolarHBondContact O-N 2.98Å; V95-Q99 PolarHBondContact O-OE1 3Å
96I96.3Very high94.5Very high0 Ų055 Ų550%029%0.291CS..Hα-helixtrans-61.9-37.4176.8-54165000110.5L17 M21 R81 V84 L85 A91 S92 S94 L100L17-I96 HydrophobicContact CD1-CG1 4.44Å; M21-I96 HydrophobicContact CE-CG2 3.92Å; M21-I96 HydrophobicContact SD-CG2 3.95Å; R81-I96 HydrophobicContact CB-CG2 4.29Å; R81-I96 HydrophobicContact CG-CG2 3.84Å; V84-I96 HydrophobicContact CB-CG2 4.38Å; V84-I96 HydrophobicContact CG1-CD1 3.75Å; V84-I96 HydrophobicContact CG1-CG1 3.94Å; V84-I96 HydrophobicContact CG1-CG2 4.12Å; L85-I96 HydrophobicContact CD2-CD1 3.58Å; L85-I96 HydrophobicContact CG-CD1 4.05Å; A91-I96 HydrophobicContact CB-CD1 3.96Å; A91-I96 HydrophobicContact CB-CG1 4.26Å; S92-I96 WeakPolarHBondContact O-CG1 3.38Å; S92-I96 PolarHBondContact O-N 2.94Å; S94-I96 PolarHBondContact O-N 3.37Å; I96-L100 HydrophobicContact CG2-CD1 3.85Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CB 3.34Å; I96-L100 WeakPolarHBondContact O-CD1 3.41Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 3.28Å
97S95.9Very high94.5Very high1 Ų149.9 Ų49.91%0.00727%0.273CS..Hα-helixtrans-70.8-38.7179.7-600000113.2R81 N93 S94 V95 L100 G101R81-S97 PolarHBondContact NH2-OG 3.12Å; N93-S97 VanDerWaalsContact O-CB 3.23Å; N93-S97 WeakPolarHBondContact O-CB 3.21Å; N93-S97 PolarHBondContact O-N 3.41Å; N93-S97 PolarHBondContact O-OG 3.24Å; S94-S97 PolarHBondContact O-N 2.52Å; S94-S97 VanDerWaalsContact O-N 3.11Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 3.26Å; S97-L100 PolarHBondContact O-N 2.94Å; S97-G101 PolarHBondContact O-N 2.97Å; S97-G101 VanDerWaalsContact O-N 3.12Å
98Q96.2Very high94.6Very high111 Ų11151 Ų5152%0.51928%0.281SS..Hα-helixtrans-61.8-54.3175.1-172.3176.519.100110.2S94 V95 L100 G101 D102S94-Q98 PolarHBondContact O-N 3.04Å; V95-Q98 PolarHBondContact O-N 2.88Å; Q98-L100 VanDerWaalsContact C-N 3.25Å; Q98-L100 PolarHBondContact O-N 3.18Å; Q98-G101 WeakPolarHBondContact O-CA 3.37Å; Q98-G101 PolarHBondContact O-N 3.35Å; Q98-D102 PolarHBondContact O-N 3.48Å
99Q95.8Very high94.7Very high32 Ų3258.2 Ų58.215%0.1531%0.307CS..Hα-helixtrans-59-34177.1-71.2168.1-30.200112.5M21 V95 D102 L103M21-Q99 HydrophobicContact CE-CB 3.49Å; M21-Q99 VanDerWaalsContact CE-CB 3.49Å; M21-Q99 HydrophobicContact SD-CB 4.22Å; M21-Q99 PolarHBondContact SD-OE1 3.47Å; M21-Q99 VanDerWaalsContact SD-OE1 3.35Å; V95-Q99 WeakPolarHBondContact O-CG 3.42Å; V95-Q99 PolarHBondContact O-N 2.98Å; V95-Q99 PolarHBondContact O-OE1 3Å; Q99-D102 PolarHBondContact O-N 3.03Å; Q99-L103 WeakPolarHBondContact O-CB 3.35Å; Q99-L103 VanDerWaalsContact O-CG 3.24Å; Q99-L103 WeakPolarHBondContact O-CG 3.32Å; Q99-L103 PolarHBondContact O-N 3.18Å
100L97.1Very high94.9Very high0 Ų058.4 Ų58.40%031%0.309CS..Hα-helixtrans-67.5-32.4173.2-76.5167.4000113.5M21 F73 F76 A77 I80 R81 I96 S97 Q98 W104M21-L100 HydrophobicContact CE-CD2 4.1Å; M21-L100 HydrophobicContact CE-CG 3.83Å; F73-L100 HydrophobicContact CE2-CB 4.43Å; F73-L100 HydrophobicContact CZ-CB 4.29Å; F76-L100 HydrophobicContact CD1-CD2 4.45Å; F76-L100 HydrophobicContact CE1-CD2 3.85Å; F76-L100 HydrophobicContact CZ-CD2 4.32Å; A77-L100 HydrophobicContact CB-CD1 4.02Å; I80-L100 HydrophobicContact CB-CD2 3.62Å; I80-L100 HydrophobicContact CG1-CD2 4.26Å; I80-L100 HydrophobicContact CG2-CD2 3.6Å; R81-L100 HydrophobicContact CB-CD1 3.96Å; I96-L100 HydrophobicContact CG2-CD1 3.85Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CB 3.34Å; I96-L100 WeakPolarHBondContact O-CD1 3.41Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 3.28Å; S97-L100 PolarHBondContact O-N 2.94Å; Q98-L100 VanDerWaalsContact C-N 3.25Å; Q98-L100 PolarHBondContact O-N 3.18Å; L100-W104 VanDerWaalsContact O-CB 3.23Å; L100-W104 WeakPolarHBondContact O-CB 3.23Å; L100-W104 PolarHBondContact O-N 3.36Å
101G96.6Very high95Very high8 Ų852.1 Ų52.18%0.08228%0.276CS..Hα-helixtrans-63.7-43.2173.400000111.7S97 Q98 R105S97-G101 PolarHBondContact O-N 2.97Å; S97-G101 VanDerWaalsContact O-N 3.12Å; Q98-G101 WeakPolarHBondContact O-CA 3.37Å; Q98-G101 PolarHBondContact O-N 3.35Å; G101-R105 PolarHBondContact O-N 2.97Å; G101-R105 PolarHBondContact O-NE 3.2Å
102D96.1Very high95.2Very high79 Ų7954 Ų5442%0.42228%0.278SS..Hα-helixtrans-67.6-49.2176.5-62.6-38.7000112.3Q98 Q99 W104 R105 T106Q98-D102 PolarHBondContact O-N 3.48Å; Q99-D102 PolarHBondContact O-N 3.03Å; D102-W104 VanDerWaalsContact C-N 3.31Å; D102-W104 PolarHBondContact O-N 2.93Å; D102-R105 WeakPolarHBondContact O-CB 3.34Å; D102-R105 PolarHBondContact O-N 3.27Å; D102-R105 VanDerWaalsContact O-N 3.07Å; D102-R105 IonicContact OD1-CZ 3.39Å; D102-R105 IonicContact OD1-NE 3.59Å; D102-R105 IonicContact OD1-NH2 3Å; D102-R105 PolarHBondContact OD1-NH2 3.25Å; D102-T106 PolarHBondContact O-N 2.9Å
103L96.3Very high95.4Very high6 Ų655.5 Ų55.53%0.03128%0.281CS..Hα-helixtrans-63.7-35.1178.4-67.1170.7000112.3M21 Q22 T25 F76 Q99 R105 T106 V107M21-L103 HydrophobicContact CB-CD1 3.87Å; M21-L103 HydrophobicContact CE-CD1 4Å; Q22-L103 VanDerWaalsContact OE1-CD2 3.22Å; T25-L103 HydrophobicContact CG2-CB 4.1Å; T25-L103 HydrophobicContact CG2-CD1 4.01Å; T25-L103 HydrophobicContact CG2-CG 4.5Å; F76-L103 HydrophobicContact CZ-CB 4.4Å; Q99-L103 WeakPolarHBondContact O-CB 3.35Å; Q99-L103 VanDerWaalsContact O-CG 3.24Å; Q99-L103 WeakPolarHBondContact O-CG 3.32Å; Q99-L103 PolarHBondContact O-N 3.18Å; L103-R105 PolarHBondContact O-N 3.33Å; L103-T106 PolarHBondContact O-N 3.17Å; L103-T106 VanDerWaalsContact O-N 3.15Å; L103-T106 PolarHBondContact O-OG1 3.47Å; L103-V107 VanDerWaalsContact O-CG2 3.3Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 3.37Å
104W96.9Very high95.6Very high40 Ų4058.5 Ų58.515%0.15230%0.295CS..Hα-helixtrans-61.6-32.1174.9179-114.4000112.6F73 F76 L100 D102 R112 Y115F73-W104 HydrophobicContact CB-CZ2 4.4Å; F73-W104 HydrophobicContact CD2-CB 3.72Å; F73-W104 AromaticContact CD2-CD1 3.67Å; F73-W104 AromaticContact CD2-CD2 3.88Å; F73-W104 HydrophobicContact CD2-CD2 3.88Å; F73-W104 AromaticContact CD2-CG 3.48Å; F73-W104 HydrophobicContact CD2-CG 3.48Å; F73-W104 VanDerWaalsContact CD2-CG 3.48Å; F73-W104 HydrophobicContact CE2-CB 3.77Å; F73-W104 HydrophobicContact CE2-CG 4.06Å; F76-W104 HydrophobicContact CB-CE3 3.75Å; F76-W104 HydrophobicContact CB-CH2 4.41Å; F76-W104 HydrophobicContact CB-CZ3 3.54Å; F76-W104 HydrophobicContact CD1-CB 4.13Å; F76-W104 HydrophobicContact CD1-CD2 4.15Å; F76-W104 AromaticContact CD1-CE3 3.45Å; F76-W104 HydrophobicContact CD1-CE3 3.45Å; F76-W104 VanDerWaalsContact CD1-CE3 3.45Å; F76-W104 HydrophobicContact CD1-CG 4.47Å; F76-W104 HydrophobicContact CD1-CZ3 4.17Å; F76-W104 AromaticContact CD2-CE3 3.98Å; F76-W104 HydrophobicContact CD2-CE3 3.98Å; F76-W104 HydrophobicContact CD2-CZ3 4.12Å; F76-W104 HydrophobicContact CE1-CB 3.84Å; F76-W104 AromaticContact CE1-CE3 3.97Å; F76-W104 HydrophobicContact CE1-CE3 3.97Å; F76-W104 HydrophobicContact CE2-CE3 4.43Å; F76-W104 HydrophobicContact CG-CD2 4.5Å; F76-W104 AromaticContact CG-CE3 3.44Å; F76-W104 HydrophobicContact CG-CE3 3.44Å; F76-W104 VanDerWaalsContact CG-CE3 3.44Å; F76-W104 AromaticContact CG-CZ3 3.69Å; F76-W104 HydrophobicContact CG-CZ3 3.69Å; F76-W104 HydrophobicContact CZ-CE3 4.42Å; L100-W104 VanDerWaalsContact O-CB 3.23Å; L100-W104 WeakPolarHBondContact O-CB 3.23Å; L100-W104 PolarHBondContact O-N 3.36Å; D102-W104 VanDerWaalsContact C-N 3.31Å; D102-W104 PolarHBondContact O-N 2.93Å; W104-R112 HydrophobicContact CH2-CB 4.43Å; W104-R112 HydrophobicContact CH2-CG 3.72Å; W104-R112 HydrophobicContact CZ2-CG 3.68Å; W104-R112 HydrophobicContact CZ3-CG 4.43Å; W104-R112 PolarHBondContact O-NH2 3.45Å; W104-Y115 HydrophobicContact CH2-CD2 4.4Å; W104-Y115 HydrophobicContact CH2-CG 4.31Å; W104-Y115 AromaticContact CZ3-CD2 3.98Å; W104-Y115 HydrophobicContact CZ3-CD2 3.98Å; W104-Y115 HydrophobicContact CZ3-CG 4.26Å
105R95.1Very high95.8Very high149 Ų14956.5 Ų56.556%0.56228%0.281SS*.Hα-helixtrans-67.3-38.4175.2-68.8178.9-96.4-114.45.4111.6G101 D102 L103 R112G101-R105 PolarHBondContact O-N 2.97Å; G101-R105 PolarHBondContact O-NE 3.2Å; D102-R105 WeakPolarHBondContact O-CB 3.34Å; D102-R105 PolarHBondContact O-N 3.27Å; D102-R105 VanDerWaalsContact O-N 3.07Å; D102-R105 IonicContact OD1-CZ 3.39Å; D102-R105 IonicContact OD1-NE 3.59Å; D102-R105 IonicContact OD1-NH2 3Å; D102-R105 PolarHBondContact OD1-NH2 3.25Å; L103-R105 PolarHBondContact O-N 3.33Å; R105-R112 PolarHBondContact O-NH2 3.16Å
106T93.9Very high95.9Very high97 Ų9756.3 Ų56.360%0.59528%0.278SS*.Hα-helixtrans-84.3-23.2-17960.20000114.8D102 L103D102-T106 PolarHBondContact O-N 2.9Å; L103-T106 PolarHBondContact O-N 3.17Å; L103-T106 VanDerWaalsContact O-N 3.15Å; L103-T106 PolarHBondContact O-OG1 3.47Å
107V92.9Very high96Very high5 Ų560.6 Ų60.63%0.0330%0.3CS..SBendtrans-50.2130.2177.7158.10000111.9F76 L103 C111 R112F76-V107 HydrophobicContact CE2-CG2 3.65Å; F76-V107 HydrophobicContact CZ-CG2 3.74Å; L103-V107 VanDerWaalsContact O-CG2 3.3Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 3.37Å; V107-C111 HydrophobicContact CG1-CB 3.8Å; V107-R112 PolarHBondContact O-NH2 2.82Å
108P94.6Very high96Very high73 Ų7360.5 Ų60.547%0.47430%0.3SS..  trans-54.4141.5-179.2-28.935.4000113.8S110 C111 R112P108-S110 PolarHBondContact O-N 2.83Å; P108-S110 VanDerWaalsContact O-N 3.16Å; P108-C111 WeakPolarHBondContact O-CA 3.46Å; P108-C111 WeakPolarHBondContact O-CB 3.5Å; P108-C111 PolarHBondContact O-N 2.79Å; P108-R112 PolarHBondContact O-N 3.13Å
109R95.2Very high96.1Very high194 Ų19455.6 Ų55.673%0.73228%0.278SS*.Hα-helixtrans-55.6-35.4-179.6-67.7-177.3-178.3-1045.1113C111 R112 N113R109-C111 VanDerWaalsContact C-N 3.31Å; R109-C111 PolarHBondContact O-N 3.16Å; R109-R112 PolarHBondContact O-N 2.91Å; R109-N113 WeakPolarHBondContact O-CB 3.36Å; R109-N113 PolarHBondContact O-N 3.05Å; R109-N113 PolarHBondContact O-OD1 3.34Å
110S95.3Very high96.1Very high84 Ų8458.5 Ų58.559%0.58730%0.295SS*.Hα-helixtrans-60.7-35.8174.749.10000113.7P108P108-S110 PolarHBondContact O-N 2.83Å; P108-S110 VanDerWaalsContact O-N 3.16Å
111C95.2Very high96.1Very high9 Ų963.7 Ų63.76%0.06131%0.314CS..Hα-helixtrans-76.1-43.8174175.20000111A29 I30 V107 P108 R109 N113 Q114 Y115A29-C111 VanDerWaalsContact CB-SG 3.58Å; I30-C111 HydrophobicContact CD1-CB 4.27Å; I30-C111 WeakPolarHBondContact CD1-SG 3.46Å; V107-C111 HydrophobicContact CG1-CB 3.8Å; P108-C111 WeakPolarHBondContact O-CA 3.46Å; P108-C111 WeakPolarHBondContact O-CB 3.5Å; P108-C111 PolarHBondContact O-N 2.79Å; R109-C111 VanDerWaalsContact C-N 3.31Å; R109-C111 PolarHBondContact O-N 3.16Å; C111-N113 PolarHBondContact O-N 3.47Å; C111-Q114 PolarHBondContact O-N 2.91Å; C111-Q114 VanDerWaalsContact O-N 3.15Å; C111-Y115 PolarHBondContact O-N 3.01Å
112R95.9Very high96.1Very high57 Ų5763.3 Ų63.322%0.21531%0.31CS..Hα-helixtrans-54.9-48.6176.2-168.6174.3-63.81577.6111.8W104 R105 V107 P108 R109 Q114 Y115 D116W104-R112 HydrophobicContact CH2-CB 4.43Å; W104-R112 HydrophobicContact CH2-CG 3.72Å; W104-R112 HydrophobicContact CZ2-CG 3.68Å; W104-R112 HydrophobicContact CZ3-CG 4.43Å; W104-R112 PolarHBondContact O-NH2 3.45Å; R105-R112 PolarHBondContact O-NH2 3.16Å; V107-R112 PolarHBondContact O-NH2 2.82Å; P108-R112 PolarHBondContact O-N 3.13Å; R109-R112 PolarHBondContact O-N 2.91Å; R112-Q114 VanDerWaalsContact C-N 3.3Å; R112-Q114 PolarHBondContact O-N 3.48Å; R112-Y115 WeakPolarHBondContact O-CA 3.33Å; R112-Y115 WeakPolarHBondContact O-CB 3.17Å; R112-Y115 PolarHBondContact O-N 2.82Å; R112-D116 PolarHBondContact O-N 3.2Å; R112-D116 VanDerWaalsContact O-OD2 3.09Å
113N96.9Very high96.1Very high95 Ų9561.8 Ų61.851%0.50830%0.304SS..Hα-helixtrans-58.6-37178.4-68.617.6000112.8R109 C111 Y115 D116 D117R109-N113 WeakPolarHBondContact O-CB 3.36Å; R109-N113 PolarHBondContact O-N 3.05Å; R109-N113 PolarHBondContact O-OD1 3.34Å; C111-N113 PolarHBondContact O-N 3.47Å; N113-Y115 VanDerWaalsContact C-N 3.31Å; N113-Y115 PolarHBondContact O-N 3.44Å; N113-D116 PolarHBondContact O-N 2.9Å; N113-D117 PolarHBondContact O-N 3.11Å
114Q96.9Very high96.1Very high86 Ų8668.1 Ų68.140%0.40233%0.331SS..Hα-helixtrans-66.8-34176-68.3178.829.800112.2I30 W34 C111 R112 E118I30-Q114 HydrophobicContact CD1-CB 4.02Å; I30-Q114 VanDerWaalsContact CD1-OE1 3.32Å; W34-Q114 HydrophobicContact CH2-CB 4.25Å; W34-Q114 HydrophobicContact CZ2-CB 4.07Å; C111-Q114 PolarHBondContact O-N 2.91Å; C111-Q114 VanDerWaalsContact O-N 3.15Å; R112-Q114 VanDerWaalsContact C-N 3.3Å; R112-Q114 PolarHBondContact O-N 3.48Å; Q114-E118 WeakPolarHBondContact O-CB 3.1Å; Q114-E118 PolarHBondContact O-N 3.43Å
115Y97.6Very high96Very high1 Ų167.5 Ų67.50%0.00433%0.331CS..Hα-helixtrans-70.1-32.3171.4-84-69.9000112.9A29 I30 W34 L75 F76 H79 W104 C111 R112 N113 A119A29-Y115 WeakPolarHBondContact O-CE2 3.46Å; A29-Y115 PolarHBondContact O-OH 3.28Å; I30-Y115 HydrophobicContact CD1-CD2 4.45Å; I30-Y115 HydrophobicContact CD1-CE2 4.21Å; W34-Y115 HydrophobicContact CH2-CD1 4Å; W34-Y115 HydrophobicContact CH2-CD2 4.46Å; W34-Y115 HydrophobicContact CH2-CE1 4.02Å; W34-Y115 HydrophobicContact CH2-CE2 4.49Å; W34-Y115 HydrophobicContact CH2-CG 4.23Å; W34-Y115 AromaticContact CZ3-CD1 3.62Å; W34-Y115 HydrophobicContact CZ3-CD1 3.62Å; W34-Y115 AromaticContact CZ3-CE1 3.56Å; W34-Y115 HydrophobicContact CZ3-CE1 3.56Å; W34-Y115 HydrophobicContact CZ3-CG 4.3Å; L75-Y115 HydrophobicContact CB-CD1 3.61Å; L75-Y115 HydrophobicContact CB-CE1 3.85Å; F76-Y115 VanDerWaalsContact CA-CE1 3.46Å; F76-Y115 HydrophobicContact CB-CD1 4.19Å; F76-Y115 HydrophobicContact CB-CD2 4.27Å; F76-Y115 HydrophobicContact CB-CE1 3.92Å; F76-Y115 HydrophobicContact CB-CE2 3.99Å; F76-Y115 HydrophobicContact CB-CG 4.34Å; F76-Y115 AromaticContact CD2-CE2 3.8Å; F76-Y115 HydrophobicContact CD2-CE2 3.8Å; F76-Y115 HydrophobicContact CG-CE2 4.39Å; F76-Y115 VanDerWaalsContact N-CE1 3.3Å; H79-Y115 PolarHBondContact CD2-OH 3.13Å; H79-Y115 VanDerWaalsContact CD2-OH 3.27Å; W104-Y115 HydrophobicContact CH2-CD2 4.4Å; W104-Y115 HydrophobicContact CH2-CG 4.31Å; W104-Y115 AromaticContact CZ3-CD2 3.98Å; W104-Y115 HydrophobicContact CZ3-CD2 3.98Å; W104-Y115 HydrophobicContact CZ3-CG 4.26Å; C111-Y115 PolarHBondContact O-N 3.01Å; R112-Y115 WeakPolarHBondContact O-CA 3.33Å; R112-Y115 WeakPolarHBondContact O-CB 3.17Å; R112-Y115 PolarHBondContact O-N 2.82Å; N113-Y115 VanDerWaalsContact C-N 3.31Å; N113-Y115 PolarHBondContact O-N 3.44Å; Y115-A119 WeakPolarHBondContact O-CB 3.23Å; Y115-A119 PolarHBondContact O-N 3.43Å
116D97.4Very high96.1Very high55 Ų5560.7 Ų60.729%0.29431%0.305SS..Hα-helixtrans-70-45.6173.8-62.6-49.1000111.2S72 R112 N113 E118 A119 N120S72-D116 WeakPolarHBondContact CB-OD1 3.41Å; S72-D116 PolarHBondContact OG-OD1 3.32Å; R112-D116 PolarHBondContact O-N 3.2Å; R112-D116 VanDerWaalsContact O-OD2 3.09Å; N113-D116 PolarHBondContact O-N 2.9Å; D116-E118 VanDerWaalsContact C-N 3.34Å; D116-E118 PolarHBondContact O-N 3.4Å; D116-A119 PolarHBondContact O-N 3.01Å; D116-N120 VanDerWaalsContact O-CG 3.32Å; D116-N120 PolarHBondContact O-N 3.03Å; D116-N120 PolarHBondContact O-ND2 2.96Å; D116-N120 VanDerWaalsContact O-ND2 3.11Å
117D97.6Very high96.1Very high90 Ų9060.3 Ų60.348%0.48130%0.297SS..Hα-helixtrans-57-45.1172.8-79-25.1000111.9N113 N120 R121N113-D117 PolarHBondContact O-N 3.11Å; D117-N120 PolarHBondContact O-N 3.3Å; D117-R121 WeakPolarHBondContact O-CG 3.49Å; D117-R121 PolarHBondContact O-N 3.32Å
118E96.8Very high96.2Very high0 Ų065.7 Ų65.70%032%0.324CS..Hα-helixtrans-65.5-43.1176176.164.1-174.300112.1W34 P35 S36 L75 Q114 D116 N120 R121 L122W34-E118 HydrophobicContact CD2-CB 4.38Å; W34-E118 HydrophobicContact CD2-CG 4.2Å; W34-E118 HydrophobicContact CE3-CB 3.88Å; W34-E118 HydrophobicContact CE3-CG 3.56Å; W34-E118 HydrophobicContact CZ3-CB 4Å; W34-E118 HydrophobicContact CZ3-CG 4.04Å; P35-E118 WeakPolarHBondContact CD-OE1 3.44Å; S36-E118 VanDerWaalsContact CB-OE1 3.23Å; S36-E118 WeakPolarHBondContact CB-OE1 3.45Å; S36-E118 WeakPolarHBondContact CB-OE2 3.42Å; S36-E118 PolarHBondContact N-OE1 3.11Å; S36-E118 VanDerWaalsContact OG-CD 3.24Å; S36-E118 PolarHBondContact OG-OE1 2.94Å; S36-E118 PolarHBondContact OG-OE2 3.34Å; L75-E118 HydrophobicContact CD1-CB 4.17Å; L75-E118 HydrophobicContact CD1-CG 3.71Å; Q114-E118 WeakPolarHBondContact O-CB 3.1Å; Q114-E118 PolarHBondContact O-N 3.43Å; D116-E118 VanDerWaalsContact C-N 3.34Å; D116-E118 PolarHBondContact O-N 3.4Å; E118-N120 PolarHBondContact O-N 3.24Å; E118-R121 WeakPolarHBondContact O-CB 3.32Å; E118-R121 PolarHBondContact O-N 3.48Å; E118-R121 VanDerWaalsContact O-N 3.11Å; E118-R121 WeakPolarHBondContact OE2-CD 3.4Å; E118-R121 IonicContact OE2-CZ 2.74Å; E118-R121 IonicContact OE2-NH1 2.75Å; E118-R121 PolarHBondContact OE2-NH1 3.33Å; E118-R121 VanDerWaalsContact OE2-NH1 3.07Å; E118-L122 HydrophobicContact CG-CD1 4.45Å; E118-L122 WeakPolarHBondContact O-CG 3.48Å; E118-L122 PolarHBondContact O-N 3.47Å
119A97.3Very high96.1Very high7 Ų763.7 Ų63.76%0.05831%0.308CS..Hα-helixtrans-57.3-41.6174.800000111.1L75 Y115 D116 R121 L122 V123L75-A119 HydrophobicContact CD1-CB 4.01Å; Y115-A119 WeakPolarHBondContact O-CB 3.23Å; Y115-A119 PolarHBondContact O-N 3.43Å; D116-A119 PolarHBondContact O-N 3.01Å; A119-R121 PolarHBondContact O-N 3.23Å; A119-L122 PolarHBondContact O-N 2.95Å; A119-V123 WeakPolarHBondContact O-CG2 3.4Å; A119-V123 PolarHBondContact O-N 3.38Å
120N97.5Very high96Very high93 Ų9355.8 Ų55.850%0.49728%0.279SS..Hα-helixtrans-64.7-36.8175.8-71.6-37.1000112.9D116 D117 E118 K124D116-N120 VanDerWaalsContact O-CG 3.32Å; D116-N120 PolarHBondContact O-N 3.03Å; D116-N120 PolarHBondContact O-ND2 2.96Å; D116-N120 VanDerWaalsContact O-ND2 3.11Å; D117-N120 PolarHBondContact O-N 3.3Å; E118-N120 PolarHBondContact O-N 3.24Å; N120-K124 WeakPolarHBondContact O-CG 2.95Å; N120-K124 PolarHBondContact O-N 3.34Å
121R96.9Very high96Very high109 Ų10956.6 Ų56.641%0.41128%0.283SS..Hα-helixtrans-63.5-42.8170.4-65.7172.8-161.4150.5-0.1111.5S36 D117 E118 A119 K124 I125S36-R121 WeakPolarHBondContact OG-CD 3.25Å; D117-R121 WeakPolarHBondContact O-CG 3.49Å; D117-R121 PolarHBondContact O-N 3.32Å; E118-R121 WeakPolarHBondContact O-CB 3.32Å; E118-R121 PolarHBondContact O-N 3.48Å; E118-R121 VanDerWaalsContact O-N 3.11Å; E118-R121 WeakPolarHBondContact OE2-CD 3.4Å; E118-R121 IonicContact OE2-CZ 2.74Å; E118-R121 IonicContact OE2-NH1 2.75Å; E118-R121 PolarHBondContact OE2-NH1 3.33Å; E118-R121 VanDerWaalsContact OE2-NH1 3.07Å; A119-R121 PolarHBondContact O-N 3.23Å; R121-K124 PolarHBondContact O-N 2.97Å; R121-I125 WeakPolarHBondContact O-CG1 3.4Å; R121-I125 PolarHBondContact O-N 3.03Å
122L95.7Very high95.9Very high0 Ų063.8 Ų63.80%032%0.32CS..Hα-helixtrans-69.3-32179.4-65.6-174.7000113.4P35 Y51 I54 L70 L75 E118 A119 I125 H126P35-L122 HydrophobicContact CB-CD1 4.15Å; P35-L122 HydrophobicContact CB-CD2 4.18Å; Y51-L122 HydrophobicContact CE2-CB 4.35Å; I54-L122 HydrophobicContact CD1-CD2 3.34Å; L70-L122 HydrophobicContact CB-CD1 4.33Å; L70-L122 HydrophobicContact CD1-CD1 4.07Å; L75-L122 HydrophobicContact CD1-CD1 3.97Å; L75-L122 HydrophobicContact CD2-CD1 3.4Å; L75-L122 VanDerWaalsContact CD2-CD1 3.4Å; L75-L122 HydrophobicContact CG-CD1 4.17Å; E118-L122 HydrophobicContact CG-CD1 4.45Å; E118-L122 WeakPolarHBondContact O-CG 3.48Å; E118-L122 PolarHBondContact O-N 3.47Å; A119-L122 PolarHBondContact O-N 2.95Å; L122-I125 HydrophobicContact CD2-CD1 4.4Å; L122-H126 WeakPolarHBondContact O-CB 3.46Å; L122-H126 PolarHBondContact O-N 3.03Å
123V96.3Very high95.7Very high48 Ų4864.2 Ų64.229%0.29132%0.323SS..Hα-helixtrans-60.8-45.8169.1168.70000110.3P69 A119 H126 Q127P69-V123 HydrophobicContact CB-CG2 3.85Å; P69-V123 HydrophobicContact CG-CG2 4.09Å; A119-V123 WeakPolarHBondContact O-CG2 3.4Å; A119-V123 PolarHBondContact O-N 3.38Å; V123-H126 WeakPolarHBondContact O-CB 3.34Å; V123-H126 PolarHBondContact O-N 2.78Å; V123-Q127 HydrophobicContact CG1-CG 4.39Å; V123-Q127 WeakPolarHBondContact O-CB 3.45Å; V123-Q127 VanDerWaalsContact O-CG 3.28Å; V123-Q127 WeakPolarHBondContact O-CG 3.38Å; V123-Q127 PolarHBondContact O-N 2.59Å; V123-Q127 PolarHBondContact O-OE1 3.15Å
124K96.3Very high95.5Very high138 Ų13867.8 Ų67.860%0.633%0.333SS*.Hα-helixtrans-62.1-47.1177-67.6173.7-177.9-175.30112.4N120 R121 H126 Q127 I128N120-K124 WeakPolarHBondContact O-CG 2.95Å; N120-K124 PolarHBondContact O-N 3.34Å; R121-K124 PolarHBondContact O-N 2.97Å; K124-H126 VanDerWaalsContact C-N 3.3Å; K124-H126 PolarHBondContact O-N 3.18Å; K124-Q127 PolarHBondContact O-N 2.74Å; K124-I128 WeakPolarHBondContact O-CG1 3.31Å; K124-I128 PolarHBondContact O-N 3.07Å; K124-I128 VanDerWaalsContact O-N 3.07Å
125I95.3Very high95.2Very high28 Ų2869.4 Ų69.414%0.14434%0.337CS..Hα-helixtrans-64.7-35.9177.9-60.5167.2000111A39 P50 R121 L122 I128 E129A39-I125 HydrophobicContact CB-CD1 4.16Å; A39-I125 HydrophobicContact CB-CG2 4.45Å; P50-I125 HydrophobicContact CB-CG2 3.86Å; P50-I125 HydrophobicContact CG-CG2 3.72Å; R121-I125 WeakPolarHBondContact O-CG1 3.4Å; R121-I125 PolarHBondContact O-N 3.03Å; L122-I125 HydrophobicContact CD2-CD1 4.4Å; I125-I128 PolarHBondContact O-N 2.97Å; I125-E129 PolarHBondContact O-N 3.37Å
126H95.8Very high94.8Very high5 Ų575.4 Ų75.42%0.02337%0.365CS..Hα-helixtrans-65.8-43.5173.2173.8-79.8000112.5Y51 P67 P69 L122 V123 K124 I128 E129 F130 Y133Y51-H126 HydrophobicContact CD1-CB 4.25Å; Y51-H126 AromaticContact CD1-CD2 3.62Å; Y51-H126 HydrophobicContact CD2-CB 3.92Å; Y51-H126 AromaticContact CE1-CD2 3.67Å; Y51-H126 HydrophobicContact CE2-CB 4.33Å; Y51-H126 HydrophobicContact CG-CB 3.9Å; P67-H126 PolarHBondContact O-CD2 3.11Å; P67-H126 PolarHBondContact O-NE2 3.07Å; P69-H126 HydrophobicContact CB-CB 4.2Å; L122-H126 WeakPolarHBondContact O-CB 3.46Å; L122-H126 PolarHBondContact O-N 3.03Å; V123-H126 WeakPolarHBondContact O-CB 3.34Å; V123-H126 PolarHBondContact O-N 2.78Å; K124-H126 VanDerWaalsContact C-N 3.3Å; K124-H126 PolarHBondContact O-N 3.18Å; H126-I128 VanDerWaalsContact C-N 3.26Å; H126-I128 PolarHBondContact O-N 2.94Å; H126-E129 PolarHBondContact O-N 2.94Å; H126-F130 AromaticContact CD2-CD2 3.8Å; H126-F130 AromaticContact NE2-CD2 3.68Å; H126-F130 PolarHBondContact O-N 3.16Å; H126-Y133 AromaticContact CE1-CD1 3.54Å; H126-Y133 AromaticContact CE1-CG 3.57Å
127Q95.6Very high94.3Very high89 Ų8977.5 Ų77.542%0.41638%0.381SS..Hα-helixtrans-61.8-33.5176.5-75.4167.7-36.900112V123 K124 F130 P131V123-Q127 HydrophobicContact CG1-CG 4.39Å; V123-Q127 WeakPolarHBondContact O-CB 3.45Å; V123-Q127 VanDerWaalsContact O-CG 3.28Å; V123-Q127 WeakPolarHBondContact O-CG 3.38Å; V123-Q127 PolarHBondContact O-N 2.59Å; V123-Q127 PolarHBondContact O-OE1 3.15Å; K124-Q127 PolarHBondContact O-N 2.74Å; Q127-F130 CarbonylContact O-C 3.32Å; Q127-P131 VanDerWaalsContact O-CA 3.23Å; Q127-P131 WeakPolarHBondContact O-CA 3.39Å; Q127-P131 WeakPolarHBondContact O-CD 3.38Å
128I94.2Very high93.6Very high119 Ų11981.6 Ų81.661%0.6140%0.395SS*.Hα-helixtrans-71.1-43.7175.3-65.4163.3000111.6K124 I125 H126 F130K124-I128 WeakPolarHBondContact O-CG1 3.31Å; K124-I128 PolarHBondContact O-N 3.07Å; K124-I128 VanDerWaalsContact O-N 3.07Å; I125-I128 PolarHBondContact O-N 2.97Å; H126-I128 VanDerWaalsContact C-N 3.26Å; H126-I128 PolarHBondContact O-N 2.94Å; I128-F130 VanDerWaalsContact C-N 3.32Å
129E93.3Very high92.9Very high30 Ų3091 Ų9114%0.1444%0.436CS..Hα-helixtrans-71.4-27.3175.2-165.3-177.2155.200112.2R49 Y51 T52 I125 H126R49-E129 VanDerWaalsContact C-OE2 3.28Å; R49-E129 IonicContact CZ-OE1 3.34Å; R49-E129 IonicContact NE-OE1 2.87Å; R49-E129 PolarHBondContact NE-OE1 3.1Å; R49-E129 IonicContact NH2-OE1 2.89Å; R49-E129 PolarHBondContact NH2-OE1 2.95Å; Y51-E129 WeakPolarHBondContact CA-OE2 3.33Å; Y51-E129 WeakPolarHBondContact CB-OE2 3.35Å; Y51-E129 PolarHBondContact N-OE2 3.29Å; Y51-E129 VanDerWaalsContact N-OE2 3.08Å; T52-E129 VanDerWaalsContact CG2-OE1 3.27Å; T52-E129 WeakPolarHBondContact CG2-OE1 3.35Å; T52-E129 PolarHBondContact N-OE2 3.23Å; T52-E129 PolarHBondContact OG1-OE1 3.42Å; T52-E129 PolarHBondContact OG1-OE2 3.19Å; I125-E129 PolarHBondContact O-N 3.37Å; H126-E129 PolarHBondContact O-N 2.94Å
130F93.1Very high91.9Very high28 Ų28100 Ų10012%0.12347%0.468CS..  trans-138.465-173.5-54.5-69.9000113.9Y51 T52 I66 P67 H126 Q127 I128 N132 Y133Y51-F130 HydrophobicContact CD1-CE2 4.36Å; T52-F130 HydrophobicContact CG2-CE2 3.8Å; T52-F130 HydrophobicContact CG2-CZ 3.58Å; I66-F130 HydrophobicContact CB-CD1 4.37Å; I66-F130 HydrophobicContact CB-CE1 4.47Å; I66-F130 HydrophobicContact CD1-CB 4.42Å; I66-F130 HydrophobicContact CD1-CD1 3.73Å; I66-F130 HydrophobicContact CD1-CE1 4.35Å; I66-F130 HydrophobicContact CD1-CG 4.28Å; I66-F130 HydrophobicContact CG1-CD1 3.76Å; I66-F130 HydrophobicContact CG1-CE1 3.9Å; I66-F130 HydrophobicContact CG1-CG 4.41Å; I66-F130 HydrophobicContact CG2-CB 4.06Å; I66-F130 HydrophobicContact CG2-CD1 3.7Å; I66-F130 HydrophobicContact CG2-CD2 3.63Å; I66-F130 HydrophobicContact CG2-CE1 3.99Å; I66-F130 HydrophobicContact CG2-CE2 3.92Å; I66-F130 HydrophobicContact CG2-CG 3.5Å; I66-F130 HydrophobicContact CG2-CZ 4.09Å; P67-F130 HydrophobicContact CG-CE2 4.32Å; H126-F130 AromaticContact CD2-CD2 3.8Å; H126-F130 AromaticContact NE2-CD2 3.68Å; H126-F130 PolarHBondContact O-N 3.16Å; Q127-F130 CarbonylContact O-C 3.32Å; I128-F130 VanDerWaalsContact C-N 3.32Å; F130-N132 PolarHBondContact O-N 3.41Å; F130-Y133 VanDerWaalsContact O-CB 3.22Å; F130-Y133 WeakPolarHBondContact O-CB 3.38Å; F130-Y133 PolarHBondContact O-N 2.95Å
131P94.2Very high90.6Very high101 Ų101103.7 Ų103.766%0.65648%0.483SS*.THydrogen-bonded Turntrans-61-31.7-177.322.8-34000113Q127 Y133Q127-P131 VanDerWaalsContact O-CA 3.23Å; Q127-P131 WeakPolarHBondContact O-CA 3.39Å; Q127-P131 WeakPolarHBondContact O-CD 3.38Å; P131-Y133 VanDerWaalsContact C-N 3.26Å; P131-Y133 PolarHBondContact O-N 3.47Å
132N92.6Very high89.1Confident160 Ų160105.7 Ų105.786%0.85650%0.5SS*.THydrogen-bonded Turntrans-8413177.6-65.9-41.7000114F130 K134F130-N132 PolarHBondContact O-N 3.41Å; N132-K134 PolarHBondContact O-N 3.23Å
133Y93.5Very high87Confident67 Ų67110.6 Ų110.626%0.26353%0.53SS..  trans-75.6112.8-179.2-178.5-99.6000112.6I66 H126 F130 P131I66-Y133 HydrophobicContact CB-CD2 3.82Å; I66-Y133 HydrophobicContact CB-CE2 4.02Å; I66-Y133 HydrophobicContact CD1-CD2 4.17Å; I66-Y133 HydrophobicContact CG2-CD2 3.4Å; I66-Y133 HydrophobicContact CG2-CE2 3.77Å; I66-Y133 HydrophobicContact CG2-CG 4.27Å; H126-Y133 AromaticContact CE1-CD1 3.54Å; H126-Y133 AromaticContact CE1-CG 3.57Å; F130-Y133 VanDerWaalsContact O-CB 3.22Å; F130-Y133 WeakPolarHBondContact O-CB 3.38Å; F130-Y133 PolarHBondContact O-N 2.95Å; P131-Y133 VanDerWaalsContact C-N 3.26Å; P131-Y133 PolarHBondContact O-N 3.47Å
134K91.1Very high84.5Confident169 Ų169111.6 Ų111.674%0.73554%0.539SS*.  trans-113.2130.6164.4-168.9162.9-174.1165.30110.1N132 Q136N132-K134 PolarHBondContact O-N 3.23Å; K134-Q136 PolarHBondContact O-N 2.9Å; K134-Q136 VanDerWaalsContact O-N 3.12Å
135Y91.8Very high82.3Confident120 Ų120109.4 Ų109.447%0.47154%0.541SS..  trans-66114.6176.2172-146000110.7R68 P137R68-Y135 VanDerWaalsContact NH1-CZ 3.31Å; R68-Y135 PolarHBondContact NH2-OH 2.97Å; Y135-P137 HydrophobicContact CE1-CG 4.08Å; Y135-P137 HydrophobicContact CE2-CB 4.15Å; Y135-P137 HydrophobicContact CE2-CG 3.91Å
136Q89Confident80.1Confident128 Ų128112.8 Ų112.860%0.59857%0.568SS**  trans-112.9110.3173.7-65.21766.300110K134 K138K134-Q136 PolarHBondContact O-N 2.9Å; K134-Q136 VanDerWaalsContact O-N 3.12Å; Q136-K138 PolarHBondContact O-N 3.31Å
137P86.2Confident77.9Confident98 Ų98115.3 Ų115.364%0.63659%0.586SS**  trans-67.191176.5-15.226.9000112.5Y135 K139Y135-P137 HydrophobicContact CE1-CG 4.08Å; Y135-P137 HydrophobicContact CE2-CB 4.15Å; Y135-P137 HydrophobicContact CE2-CG 3.91Å; P137-K139 PolarHBondContact O-N 3.33Å
138K82.4Confident75.6Confident176 Ų176114.3 Ų114.377%0.76559%0.588SS**  trans-76.3103.6174-66.5-177.1-179.2179.30110.1Q136 R140Q136-K138 PolarHBondContact O-N 3.31Å; K138-R140 PolarHBondContact O-N 3.09Å
139K82.4Confident73.5Confident198 Ų198112.2 Ų112.286%0.86158%0.584SS**  trans-53.6122.2169.6-176.7174.5-177.3175.10108.6P137 Q141P137-K139 PolarHBondContact O-N 3.33Å; K139-Q141 PolarHBondContact O-N 3.38Å
140R76.2Confident71.5Confident195 Ų195113.8 Ų113.874%0.73660%0.603SS**  trans-64.3109.3176-61.2-176.5-167.6171.36.3107.6K138 I142K138-R140 PolarHBondContact O-N 3.09Å; R140-I142 PolarHBondContact O-N 3.28Å; R140-I142 VanDerWaalsContact O-N 3.09Å
141Q69.9Low69.6Low171 Ų171115.5 Ų115.580%0.79962%0.622SS**  trans-59.2111.4165.3-73.2-74.8100106.9K139 T143K139-Q141 PolarHBondContact O-N 3.38Å; Q141-T143 PolarHBondContact O-N 3.32Å
142I65.5Low67.6Low152 Ų152113.6 Ų113.678%0.77961%0.614SS**  trans-75.487.9173.6-57.3176.2000105.8R140 S144R140-I142 PolarHBondContact O-N 3.28Å; R140-I142 VanDerWaalsContact O-N 3.09Å; I142-S144 PolarHBondContact O-N 3.06Å
143T52.4Low65.8Low102 Ų102108.9 Ų108.963%0.62660%0.598SS**  trans-61.6109.1174.149.90000108Q141 S145Q141-T143 PolarHBondContact O-N 3.32Å; T143-S145 PolarHBondContact O-N 3.42Å; T143-S145 PolarHBondContact O-OG 2.91Å
144S44.7Very low64.1Low70 Ų70108.6 Ų108.649%0.4961%0.609SS.*G310 helixtrans-70.921.2-172.251.20000114.5I142 S146 S147 S148I142-S144 PolarHBondContact O-N 3.06Å; S144-S146 PolarHBondContact O-N 2.87Å; S144-S147 WeakPolarHBondContact CA-OG 3.23Å; S144-S147 VanDerWaalsContact CB-OG 3.3Å; S144-S147 WeakPolarHBondContact CB-OG 3.31Å; S144-S147 PolarHBondContact O-N 3.4Å; S144-S147 PolarHBondContact O-OG 3.5Å; S144-S148 WeakPolarHBondContact O-CB 3.39Å; S144-S148 PolarHBondContact O-N 3.03Å; S144-S148 PolarHBondContact O-OG 2.82Å
145S49.2Very low62.4Low91 Ų91103.4 Ų103.464%0.63660%0.598SS**G310 helixtrans-66.5-16.9177.247.10000113.6T143T143-S145 PolarHBondContact O-N 3.42Å; T143-S145 PolarHBondContact O-OG 2.91Å
146S48.3Very low60.7Low100 Ų100100.8 Ų100.870%0.69960%0.601SS**G310 helixtrans-95.3-3.4170630000114.3S144S144-S146 PolarHBondContact O-N 2.87Å
147S49.5Very low59.2Low58 Ų5898.8 Ų98.841%0.40661%0.607SS.*THydrogen-bonded Turntrans-121.9-21.2-178640000114S144 S149 A150 A151S144-S147 WeakPolarHBondContact CA-OG 3.23Å; S144-S147 VanDerWaalsContact CB-OG 3.3Å; S144-S147 WeakPolarHBondContact CB-OG 3.31Å; S144-S147 PolarHBondContact O-N 3.4Å; S144-S147 PolarHBondContact O-OG 3.5Å; S147-S149 VanDerWaalsContact C-N 3.32Å; S147-A150 PolarHBondContact O-N 2.99Å; S147-A151 PolarHBondContact O-N 2.75Å; S147-A151 VanDerWaalsContact O-N 3.09Å
148S47.9Very low57.7Low67 Ų6799.9 Ų99.947%0.46961%0.612SS.*Hα-helixtrans-63.6-36.6172.4550000112.3S144 A151 A152S144-S148 WeakPolarHBondContact O-CB 3.39Å; S144-S148 PolarHBondContact O-N 3.03Å; S144-S148 PolarHBondContact O-OG 2.82Å; S148-A151 PolarHBondContact O-N 2.91Å; S148-A152 VanDerWaalsContact O-CB 3.28Å; S148-A152 WeakPolarHBondContact O-CB 3.4Å; S148-A152 PolarHBondContact O-N 3.28Å
149S49.5Very low56.2Low75 Ų7596.1 Ų96.152%0.52461%0.608SS.*Hα-helixtrans-63.9-40.2174.350.90000112.8S147 A153S147-S149 VanDerWaalsContact C-N 3.32Å; S149-A153 WeakPolarHBondContact O-CB 3.4Å; S149-A153 PolarHBondContact O-N 2.68Å
150A52.9Low54.4Low64 Ų6492.6 Ų92.653%0.52960%0.603SS.*Hα-helixtrans-67.7-42.4175.800000112.2S147 A153 A154S147-A150 PolarHBondContact O-N 2.99Å; A150-A153 PolarHBondContact O-N 3.49Å; A150-A154 PolarHBondContact O-N 3.26Å
151A52.7Low53.1Low64 Ų6489.5 Ų89.553%0.52961%0.606SS.*Hα-helixtrans-66-41.9176.300000112.4S147 S148 A154 A155S147-A151 PolarHBondContact O-N 2.75Å; S147-A151 VanDerWaalsContact O-N 3.09Å; S148-A151 PolarHBondContact O-N 2.91Å; A151-A154 PolarHBondContact O-N 3.44Å; A151-A155 PolarHBondContact O-N 2.8Å; A151-A155 VanDerWaalsContact O-N 3.11Å
152A52.3Low51.9Low60 Ų6087.9 Ų87.950%0.49661%0.607SS.*Hα-helixtrans-64.5-40.5176.400000112.2S148 A154 A155 A156S148-A152 VanDerWaalsContact O-CB 3.28Å; S148-A152 WeakPolarHBondContact O-CB 3.4Å; S148-A152 PolarHBondContact O-N 3.28Å; A152-A154 PolarHBondContact O-N 3.3Å; A152-A155 PolarHBondContact O-N 3.1Å; A152-A156 WeakPolarHBondContact O-CB 3.48Å; A152-A156 PolarHBondContact O-N 2.95Å
153A55.1Low50.7Low61 Ų6185.2 Ų85.250%0.50461%0.609SS.*Hα-helixtrans-62.3-41.5176.200000112.5S149 A150 A156 A157S149-A153 WeakPolarHBondContact O-CB 3.4Å; S149-A153 PolarHBondContact O-N 2.68Å; A150-A153 PolarHBondContact O-N 3.49Å; A153-A156 PolarHBondContact O-N 3.38Å; A153-A157 WeakPolarHBondContact O-CB 3.32Å; A153-A157 PolarHBondContact O-N 3.48Å
154A56.6Low50.4Low61 Ų6186.7 Ų86.750%0.50462%0.617SS.*Hα-helixtrans-65.9-39.8176.500000112.8A150 A151 A152 T158A150-A154 PolarHBondContact O-N 3.26Å; A151-A154 PolarHBondContact O-N 3.44Å; A152-A154 PolarHBondContact O-N 3.3Å; A154-T158 PolarHBondContact O-OG1 3.48Å
155A56Low50.5Low60 Ų6089 Ų8950%0.49663%0.628SS.*Hα-helixtrans-67.5-42.8175.800000112.3A151 A152 T158 S159A151-A155 PolarHBondContact O-N 2.8Å; A151-A155 VanDerWaalsContact O-N 3.11Å; A152-A155 PolarHBondContact O-N 3.1Å; A155-T158 PolarHBondContact O-N 2.91Å; A155-S159 PolarHBondContact O-OG 3.33Å
156A56.3Low50.2Low65 Ų6590.9 Ų90.954%0.53764%0.636SS.*Hα-helixtrans-63-42.4177.700000112.2A152 A153 T158 S159A152-A156 WeakPolarHBondContact O-CB 3.48Å; A152-A156 PolarHBondContact O-N 2.95Å; A153-A156 PolarHBondContact O-N 3.38Å; A156-T158 PolarHBondContact O-N 3Å; A156-T158 VanDerWaalsContact O-N 3.15Å; A156-S159 PolarHBondContact O-N 3.27Å
157A56.5Low49.9Very low87 Ų8789.8 Ų89.872%0.71963%0.633SS**Hα-helixtrans-64.2-17.1-18000000114.6A153A153-A157 WeakPolarHBondContact O-CB 3.32Å; A153-A157 PolarHBondContact O-N 3.48Å
158T56Low49.6Very low121 Ų12193.7 Ų93.774%0.74265%0.65SS**THydrogen-bonded Turntrans-96.4-4.1-176.6-48.40000112.9A154 A155 A156A154-T158 PolarHBondContact O-OG1 3.48Å; A155-T158 PolarHBondContact O-N 2.91Å; A156-T158 PolarHBondContact O-N 3Å; A156-T158 VanDerWaalsContact O-N 3.15Å
159S49.9Very low49.3Very low97 Ų9796 Ų9668%0.67866%0.661SS**SBendtrans-108.115-162.6-58.80000115.7A155 A156A155-S159 PolarHBondContact O-OG 3.33Å; A156-S159 PolarHBondContact O-N 3.27Å
160T45Very low48.9Very low124 Ų12496.8 Ų96.876%0.76167%0.667SS**  trans-139.275.4-172.9-49.10000113.2
161T48.3Very low48.2Very low130 Ų130105.1 Ų105.180%0.79868%0.684SS**SBendtrans-156.4153.6160-21.70000111.3
162T45.7Very low47.5Very low136 Ų136106.7 Ų106.783%0.83469%0.692SS**  trans52.481.7172.148.50000117.1
163A39.2Very low46.9Very low97 Ų97108.2 Ų108.280%0.80270%0.699SS**  trans-115.4105.1156.100000109.6
164T47.7Very low46Very low132 Ų132111.8 Ų111.881%0.8171%0.709SS**  trans-163.2141.2167-7.30000113
165T45Very low44.9Very low118 Ų118114.4 Ų114.472%0.72472%0.715SS**  trans73.572.5154.5-40.10000119.6
166T43.9Very low43.8Very low131 Ų131119.3 Ų119.380%0.80473%0.727SS**  64123.4110.8-50.80000121.8
167A41.6Very low43Very low77 Ų77123.6 Ų123.664%0.63674%0.74SS**  trans88124.1141.700000123.4
168N42.7Very low41.9Very low141 Ų141130.1 Ų130.175%0.75475%0.746SS**  91.291.7128-67.83.8000122.8
169T43.5Very low41Very low114 Ų114130.2 Ų130.270%0.69974%0.739SS**  63.2102.2120.6590000121.3
170S39.8Very low40.5Very low92 Ų92133.6 Ų133.664%0.64374%0.742SS**  82144.8118.282.80000120.6
171R39Very low39.8Very low239 Ų239133.5 Ų133.590%0.90274%0.737SS**  trans68.7159.8162.7-59161.4-179.4176.30.4115.1
172S38.1Very low39.5Very low97 Ų97132.5 Ų132.568%0.67874%0.735SS**  cis-170.2139.9-34.2-176.50000107.7
173S38.6Very low38.8Very low93 Ų93132.6 Ų132.665%0.6573%0.73SS**  trans56.3125.9153.6-50.80000120.3
174N35.7Very low38.7Very low135 Ų135132.6 Ų132.672%0.72273%0.725SS**  trans73.3119.3131.1-71.852.7000122.2
175D34.1Very low38.2Very low116 Ų116133.5 Ų133.562%0.6272%0.724SS**  91.6131.4122.4-78.7-47.6000123
176H32.4Very low37.7Very low164 Ų164135 Ų13576%0.75972%0.723SS**  trans75.5169149.4-62.2-10.1000119.1
177I39.5Very low37.3Very low155 Ų155134.4 Ų134.480%0.79571%0.714SS**  trans69.683.8176.7-48.7-174.7000112.5
178R33.3Very low37.2Very low224 Ų224138 Ų13885%0.84572%0.717SS**  62.8123.860.9-157.1-161-139.5-177.27.9111.2
179M38.9Very low36.9Very low123 Ų123137.3 Ų137.361%0.60671%0.714SS**  trans149.5148.1131.9-69.4-123.966.400113
180F37.8Very low37.2Very low168 Ų168136.6 Ų136.674%0.73771%0.711SS**  trans59.9122.1168.2-47.2-60.4000118.5
181N31.8Very low37.2Very low122 Ų122137.4 Ų137.465%0.65271%0.712SS**  cis81.9100.928.6-170.542.7000116.1
182S40.2Very low37.3Very low109 Ų109133.2 Ų133.276%0.76270%0.702SS**  -171.3116.3127.7-75.80000107.2
183N30.9Very low37.3Very low138 Ų138133.4 Ų133.474%0.73870%0.7SS**  45.4105.275.7-82.80.6000114.2
184S38.2Very low37.3Very low97 Ų97136.7 Ų136.768%0.67870%0.704SS**  172.2125.2112.7-77.60000113.7
185N37.4Very low37.4Very low151 Ų151134.3 Ų134.381%0.80770%0.695SS**  68.1163.2129.6-59.9-9.8000120.9
186H34.5Very low37.4Very low150 Ų150137.1 Ų137.169%0.69470%0.704SS**  cis177.8138.6-28.3-178.6-113.4000108.2
187L35.2Very low37.7Very low118 Ų118134.7 Ų134.762%0.61871%0.706SS**  trans62.1159177-90.637.7000114.8
188H39.3Very low37.4Very low152 Ų152132.3 Ų132.370%0.70470%0.703SS**  cis-143146.21.5-106.6136.4000106.7
189N36.6Very low37.6Very low126 Ų126130 Ų13067%0.67471%0.706SS**  cis67.4137.715.1-175.286.4000115.1
190P49.5Very low37.2Very low99 Ų99129.2 Ų129.264%0.64371%0.712SS**  cis-98.9-142.91.132.2-15000111.2
191T39.2Very low37.1Very low109 Ų109129.4 Ų129.467%0.66972%0.718SS**  cis-160.7171.211.1-5.60000107.2
192H42.2Very low37Very low151 Ų151130 Ų13070%0.69972%0.72SS**  cis-146.1132.66-140.1-62.1000110.5
193T38.9Very low36.6Very low101 Ų101132.3 Ų132.362%0.6272%0.719SS**  trans55.5140.2154.241.30000121.3
194H38.4Very low36.7Very low162 Ų162133 Ų13375%0.7572%0.721SS**  cis-178.7158.4-13.3-114-161.5000107.6
195T36.5Very low36.4Very low85 Ų85138.8 Ų138.852%0.52173%0.728SS.*  cis-171.4135.7-26.617.90000109.8
196Q35.8Very low36.2Very low175 Ų175139.8 Ų139.882%0.81873%0.728SS**  trans68.3158152.6-55.6167.142.900116.5
197S37.8Very low36.2Very low113 Ų113138.9 Ų138.979%0.7973%0.728SS**  cis-136.5161.112.5-52.60000113.3
198S33.8Very low36.2Very low106 Ų106140.7 Ų140.774%0.74173%0.733SS**  trans-83160.3177.250.50000114.3
199I37.1Very low35.8Very low176 Ų176137.4 Ų137.490%0.90373%0.728SS**  trans-155.1139.2136.6-98.6149.1000107.9
200S30.7Very low35.7Very low106 Ų106138.7 Ų138.774%0.74173%0.733SS**  trans-110.9153.7175.4-51.50000110.2
201M35.9Very low35.1Very low172 Ų172139.4 Ų139.485%0.84774%0.736SS**  trans-156.3144.3142-104.6-53.3-103.700111.6
202N29.2Very low34.7Very low133 Ų133139.2 Ų139.271%0.71174%0.739SS**  trans-93.5160.8168.6-51.9-79.7000109.3
203H31.6Very low34.4Very low158 Ų158140.4 Ų140.473%0.73175%0.75SS**  172.8161.1117-106.8-95.1000113.3
204I33.9Very low34.2Very low152 Ų152144.3 Ų144.378%0.77976%0.759SS**  trans64.7103165.3-58145.3000113.7
205R30.6Very low33.8Very low220 Ų220143.6 Ų143.683%0.8376%0.76SS**  cis75.3142.720.5-146.2-179.4-164.9141.25.8114.6
206E33.8Very low33.6Very low171 Ų171147.5 Ų147.580%0.79978%0.777SS**  trans71.7134.6-177.2-64.9153.9-143.300113.9
207D33.7Very low33.4Very low131 Ų131143.8 Ų143.870%0.70177%0.77SS**  cis-163.1171.8-14.9-137.724.1000108.6
208Q35.6Very low33.1Very low156 Ų156144.3 Ų144.373%0.72977%0.768SS**  cis-156-64.14.1-168.8-178.895.700114.5
209S30.5Very low32.9Very low84 Ų84146.8 Ų146.859%0.58777%0.768SS**  trans-162.9166.2-161.967.40000108.9
210I35.4Very low32.7Very low152 Ų152144.8 Ų144.878%0.77976%0.758SS**  cis-135.8140.933.9-67.1175.3000113.3
211T35.7Very low33Very low115 Ų115147 Ų14771%0.70676%0.761SS**  trans-58.4147173.2460000117.5
212S31.5Very low32.8Very low104 Ų104147.4 Ų147.473%0.72776%0.758SS**  48.9129.5128.7-49.70000121.5
213N35.5Very low33Very low176 Ų176147.7 Ų147.794%0.94177%0.765SS**  -151148.5129.5-106-41000113.6
214K34.4Very low32.9Very low183 Ų183146.4 Ų146.480%0.79676%0.763SS**  trans-102.1158.7175.9-104.4180174.9178.90109.9
215L30.3Very low32.8Very low148 Ų148143.8 Ų143.878%0.77575%0.754SS**  trans34.9110143.7-59.6169.3000118.7
216L33.5Very low32.7Very low167 Ų167139.9 Ų139.987%0.87475%0.75SS**  trans-162.7115.3139.2-120.865.4000104.6
217S31Very low32.6Very low96 Ų96142.6 Ų142.667%0.67176%0.755SS**  74.8123.473.7-61.80000115.3
218T31Very low32.6Very low125 Ų125143.1 Ų143.177%0.76776%0.757SS**  trans71.9133.114352.10000122.4
219H30.6Very low32.3Very low158 Ų158141.2 Ų141.273%0.73176%0.756SS**  trans91.6111.7135-93.6-127.5000121.6
220L32.2Very low32.3Very low134 Ų134143.8 Ų143.870%0.70277%0.768SS**  116.1134.8124-75.7163.8000119.8
221L36.2Very low32Very low152 Ų152145.6 Ų145.680%0.79677%0.767SS**  trans58.3114.5153.4-58.7161.6000116.9
222K32.3Very low31.9Very low180 Ų180146.4 Ų146.478%0.78378%0.777SS**  cis84.79735.3-166.7174.9179.3174.10115.5
223T34.2Very low31.8Very low139 Ų139145.9 Ų145.985%0.85377%0.773SS**  trans179.9110.4151.3150000104
224N29Very low31.7Very low131 Ų131142.7 Ų142.770%0.70176%0.764SS**  cis81.3127.639.9-147.164.2000113.8
225T32.5Very low31.7Very low97 Ų97138.7 Ų138.760%0.59576%0.76SS**  trans66.1108.7166.649.30000120.9
226D27.9Very low31.9Very low139 Ų139136.9 Ų136.974%0.74376%0.759SS**  68.494.5119.1-44.8-19.7000122.1
227Y32.6Very low32.2Very low228 Ų228134.2 Ų134.289%0.89475%0.752SS**  trans-138.5127.2141.4-79.4-90.7000106.7
228N33.6Very low32.3Very low141 Ų141134.1 Ų134.175%0.75475%0.752SS**  cis78.6103.332.2-150.17.6000114.2
229V28.2Very low32.3Very low116 Ų116133.5 Ų133.570%0.70375%0.752SS**  trans3.2128157.1-178.40000118.2
230V31.6Very low32.4Very low139 Ų139130.7 Ų130.784%0.84275%0.751SS**  -160144.7123134.20000112
231Y28.4Very low32.5Very low190 Ų190128.6 Ų128.675%0.74575%0.747SS**  trans-55.6154175-89.4-122.8000114.3
232S32.7Very low32.3Very low132 Ų132129.2 Ų129.292%0.92375%0.751SS**  trans-160.192.3131.5-82.30000111.6
233S30.2Very low32.3Very low93 Ų93123.6 Ų123.665%0.6574%0.744SS**  trans-78.6143.5168.1-270000110.5
234S32.7Very low32.3Very low108 Ų108122.7 Ų122.776%0.75574%0.738SS**  trans159.3148.5136.448.30000114
235S34.1Very low32.5Very low99 Ų99123 Ų12369%0.69274%0.74SS**  trans58122.2157.540.30000118.4
236S34.5Very low32.6Very low110 Ų110126.3 Ų126.377%0.76975%0.746SS**  cis66.2147.431.7-36.60000114.1
237P40Very low32.6Very low112 Ų112125.9 Ų125.973%0.72774%0.743SS**  cis-140-167.5-20.835.2-14000114.2
238S33.1Very low32.5Very low94 Ų94116.8 Ų116.866%0.65771%0.713SS**  trans80117.8137.668.60000122.1
239S31.3Very low32.4Very low112 Ų112115.7 Ų115.778%0.78371%0.706SS**  trans70.4150.2137.485.70000117.8
240S32.1Very low32.6Very low99 Ų99113.7 Ų113.769%0.69269%0.691SS**  cis-163.8172.619.155.10000112.6
241S34.1Very low32.8Very low89 Ų89111.1 Ų111.162%0.62268%0.679SS**  trans78.7116.4146.975.90000121.9
242N32.1Very low33Very low166 Ų166108.1 Ų108.189%0.88868%0.676SS**  63.5141.2120-52.7-12.7000122.7
243G33.8Very low33.1Very low62 Ų62113 Ų11364%0.63967%0.674SS**  trans116.970.3152.100000116.8
244T33.5Very low33.2Very low119 Ų119116.4 Ų116.473%0.7368%0.679SS**  61.7131.88969.60000117.9
245N33.2Very low33.1Very low138 Ų138117.2 Ų117.274%0.73868%0.684SS**  trans76151.2165.7-50.6-64.1000116.4
246K34.1Very low33Very low167 Ų167117.2 Ų117.273%0.72668%0.684SS**  cis-159.9147.6-11-113.7178.8176.6179.60108.4
247L29.3Very low33.1Very low130 Ų130119.9 Ų119.968%0.68169%0.687SS**  41.5146.5102.3-77.875.4000116.7
248S30.6Very low33.1Very low36 Ų36120.5 Ų120.525%0.25269%0.691SS.*  cis-174.9-178.8-7.6-88.50000109.9L365S248-L365 WeakPolarHBondContact O-CB 3.42Å
249I31.4Very low33Very low119 Ų119119.2 Ų119.261%0.6169%0.693SS**  trans87133.1160.1-53152.8000117.3V364 L365 P366I249-V364 WeakPolarHBondContact O-CG1 3.47Å; I249-L365 CarbonylContact C-O 3.42Å; I249-L365 CarbonylContact O-C 3.42Å; I249-L365 VanDerWaalsContact O-CA 3.28Å; I249-L365 WeakPolarHBondContact O-CA 3.28Å; I249-L365 VanDerWaalsContact O-CB 3.28Å; I249-L365 WeakPolarHBondContact O-CB 3.2Å; I249-L365 PolarHBondContact O-N 2.82Å; I249-P366 WeakPolarHBondContact CA-O 3.41Å; I249-P366 PolarHBondContact N-O 3.35Å
250L32.7Very low33.1Very low74 Ų74120.2 Ų120.239%0.38770%0.695SS.*  cis-170.6169.5-31.1-144.1125000111.8L365 P367L250-L365 WeakPolarHBondContact CA-O 3.2Å; L250-L365 PolarHBondContact N-O 3.22Å; L250-P367 HydrophobicContact CD1-CG 3.63Å; L250-P367 HydrophobicContact CG-CG 4.4Å
251S35.3Very low33Very low84 Ų84120.2 Ų120.259%0.58770%0.695SS**  trans101.2111.7143.3-58.10000122.8
252N32.9Very low32.8Very low127 Ų127120.9 Ų120.968%0.67970%0.7SS**  53148.6115.5-56.2-22.4000121.1
253R33.2Very low32.9Very low235 Ų235118 Ų11889%0.88769%0.692SS**  cis-139.113824.9-57164-170-150.5-1.4110
254H33.4Very low32.6Very low164 Ų164120.7 Ų120.776%0.75970%0.701SS**  70.9103.361.2-110.6112.9000116.2
255C30.4Very low32.6Very low126 Ų126120 Ų12085%0.85170%0.702SS**  trans178.2148.9145.5-106.90000109.7
256S32.8Very low32.3Very low99 Ų99118.3 Ų118.369%0.69270%0.7SS**  cis-175.6136.9-37.8-98.60000107.8
257I36.3Very low32.3Very low165 Ų165117 Ų11785%0.84670%0.699SS**  trans-102.7138178-59.7170.2000110.3
258P39.1Very low32.3Very low125 Ų125117.1 Ų117.181%0.81270%0.7SS**  trans-104.8134.2157.734.7-25.9000111.6
259G31.1Very low32.2Very low67 Ų67120.6 Ų120.669%0.69172%0.724SS**  cis126.846.1-9.700000116.2
260T33.9Very low32.3Very low134 Ų134119.3 Ų119.382%0.82273%0.726SS**  trans-144.8125.7167.652.40000109.3
261S29.7Very low32.3Very low98 Ų98122 Ų12269%0.68575%0.745SS**  cis106.3133.717.377.50000115.2
262S30.9Very low32.2Very low104 Ų104123.9 Ų123.973%0.72775%0.747SS**  trans71.7144.1151.655.80000122.7
263S34Very low32.2Very low104 Ų104126.6 Ų126.673%0.72775%0.748SS**  trans65.9130.6160.649.20000119.3
264S27.3Very low32.2Very low119 Ų119120.5 Ų120.583%0.83273%0.728SS**  cis90.357.212.196.20000119.1
265S32.9Very low32.2Very low106 Ų106115.6 Ų115.674%0.74171%0.705SS**  trans-161.1133.6155.149.30000107.5
266S27.8Very low32.3Very low101 Ų101111.9 Ų111.971%0.70668%0.677SS**  68.6145.352.8-164.70000113.5
267M33.3Very low32.4Very low141 Ų141112.5 Ų112.570%0.69568%0.676SS**  trans80.9102.8-178.9-54.5-76.488.400118
268N29.2Very low32.1Very low132 Ų132110.7 Ų110.771%0.70667%0.668SS**  68.4134.7121.9-53.4-16000122.1
269S29.8Very low31.8Very low109 Ų109110.1 Ų110.176%0.76266%0.662SS**  78.3137.1129.1173.50000119
270S31.6Very low31.9Very low92 Ų92114.2 Ų114.264%0.64366%0.664SS**  cis-170.2-175.5-11.3-78.90000107.1
271V33Very low31.8Very low131 Ų131113.6 Ų113.679%0.79466%0.655SS**  trans73.5123.7158.6178.80000114.8
272I34.4Very low32.1Very low123 Ų123114.2 Ų114.263%0.63166%0.655SS**  cis-153.8145.4-4-122.4176.2000110.3
273R31.9Very low32.2Very low183 Ų183115.5 Ų115.569%0.69165%0.653SS**  trans12.9128.8145.3-41.3159.3-170.7-174.61.7117H849R273-H849 WeakPolarHBondContact CB-NE2 3.17Å
274K34.2Very low32.2Very low107 Ų107114.6 Ų114.647%0.46565%0.647SS.*  179.4179.571.5-89-160.9133.9-70.70112.2H847 E848K274-H847 HydrophobicContact CB-CB 3.91Å; K274-H847 VanDerWaalsContact CB-CD2 3.43Å; K274-H847 WeakPolarHBondContact CB-CD2 3.19Å; K274-H847 HydrophobicContact CD-CB 3.55Å; K274-H847 HydrophobicContact CG-CB 4.17Å; K274-H847 VanDerWaalsContact NZ-C 3.28Å; K274-H847 VanDerWaalsContact NZ-CB 3.3Å; K274-H847 PolarHBondContact NZ-O 3.36Å; K274-E848 PolarHBondContact NZ-O 3.36Å
275Q33.6Very low32.5Very low61 Ų61116.3 Ų116.329%0.28564%0.642SS.*  cis169.2169.9-43.4-98.1178.7-2.300114.1H847 E848 H849Q275-H847 HydrophobicContact CB-CB 3.87Å; Q275-H847 PolarHBondContact N-ND1 3.45Å; Q275-H847 VanDerWaalsContact N-ND1 3.14Å; Q275-H847 WeakPolarHBondContact O-CA 2.92Å; Q275-H847 PolarHBondContact O-ND1 2.86Å; Q275-E848 HydrophobicContact CB-CB 3.2Å; Q275-E848 HydrophobicContact CB-CG 4.45Å; Q275-E848 HydrophobicContact CG-CB 3.28Å; Q275-E848 HydrophobicContact CG-CG 4.31Å; Q275-E848 WeakPolarHBondContact CG-OE2 3.35Å; Q275-E848 PolarHBondContact OE1-O 2.75Å; Q275-H849 WeakPolarHBondContact CG-CE1 3.47Å; Q275-H849 VanDerWaalsContact CG-CG 3.43Å; Q275-H849 WeakPolarHBondContact CG-ND1 3.17Å; Q275-H849 WeakPolarHBondContact CG-NE2 3.34Å; Q275-H849 VanDerWaalsContact NE2-CB 3.32Å; Q275-H849 PolarHBondContact NE2-CD2 3.26Å; Q275-H849 PolarHBondContact NE2-CE1 3.03Å; Q275-H849 PolarHBondContact NE2-ND1 3.02Å; Q275-H849 PolarHBondContact NE2-NE2 3.36Å; Q275-H849 PolarHBondContact OE1-CD2 3.15Å; Q275-H849 PolarHBondContact OE1-CE1 3.44Å; Q275-H849 PolarHBondContact OE1-ND1 3.43Å; Q275-H849 PolarHBondContact OE1-NE2 3.14Å
276L32.1Very low32.5Very low49 Ų49118.3 Ų118.326%0.25764%0.639SS.*  trans-19.8169.3178.6-120.847.8000122.5N278 H847 E848L276-N278 HydrophobicContact CD2-CB 4.3Å; L276-H847 WeakPolarHBondContact O-CA 3.5Å; L276-H847 PolarHBondContact O-N 3.08Å; L276-E848 HydrophobicContact CB-CB 3.56Å; L276-E848 HydrophobicContact CB-CG 3.42Å; L276-E848 VanDerWaalsContact CB-CG 3.42Å; L276-E848 VanDerWaalsContact CB-N 3.26Å; L276-E848 HydrophobicContact CD1-CG 3.43Å; L276-E848 VanDerWaalsContact CD1-CG 3.43Å; L276-E848 HydrophobicContact CD2-CB 4.43Å; L276-E848 HydrophobicContact CD2-CG 3.69Å; L276-E848 HydrophobicContact CG-CB 4.31Å; L276-E848 HydrophobicContact CG-CG 3.6Å
277T33.9Very low32.8Very low112 Ų112119.9 Ų119.969%0.68764%0.635SS**  cis80.7170.316.9135.30000121
278N30.7Very low32.8Very low126 Ų126119.8 Ų119.867%0.67464%0.638SS**  trans66.1144.5-167.4-72.3-27.5000114.7L276L276-N278 HydrophobicContact CD2-CB 4.3Å
279V33.4Very low33Very low114 Ų114117.2 Ų117.269%0.69164%0.643SS**  cis-130.8135.529164.60000110.2
280Q32.7Very low33.1Very low153 Ų153116.9 Ų116.972%0.71564%0.64SS**  47.2153.7109.2-35178-85.700116
281D31.7Very low33.2Very low121 Ų121119.5 Ų119.565%0.64765%0.647SS**  cis-169.2161.938.7-153.6-2.2000114.6
282V36.4Very low33.1Very low111 Ų111121.4 Ų121.467%0.67365%0.647SS**  trans45.6147.5162.9-79.30000121.6
283N33Very low32.9Very low131 Ų131123.7 Ų123.770%0.70165%0.653SS**  cis-156.3155.811.5-135.7-34.1000113.8
284S32.7Very low33Very low85 Ų85124 Ų12459%0.59467%0.665SS**  trans26.4144139.6-64.90000122.1
285Q33.5Very low33.1Very low155 Ų155125.3 Ų125.372%0.72468%0.677SS**  cis-166.814511.7-122.4165.63.700111.8
286Q32.9Very low33Very low147 Ų147127 Ų12769%0.68770%0.695SS**  trans43.1148.5134.2-71.8173.2-10.100122.3
287H34.4Very low33.4Very low134 Ų134130.9 Ų130.962%0.6272%0.723SS**  cis-161.1152.29.6-122.9-55.7000112.9
288N33.4Very low33.5Very low140 Ų140131.1 Ų131.175%0.74973%0.729SS**  trans71.1106.6147.1-64.9-14000124.4
289G33.5Very low33.7Very low78 Ų78134.4 Ų134.480%0.80474%0.738SS**  87148.9125.800000119.7
290S32.3Very low33.9Very low102 Ų102135.6 Ų135.671%0.71375%0.745SS**  cis-178152.7-16.840.60000109.2
291N33.5Very low34Very low147 Ų147133.3 Ų133.379%0.78674%0.741SS**  trans72.5112.5178.7-45.3-10.9000113.2
292E30.3Very low34.1Very low171 Ų171132.9 Ų132.980%0.79975%0.746SS**  cis92.714947.9-74.3-148.5139.700115.2
293F31.5Very low33.9Very low171 Ų171134 Ų13475%0.7575%0.749SS**  trans61.291.1178.5-80.5-88.5000118.5
294M32.9Very low34.1Very low190 Ų190133.1 Ų133.194%0.93675%0.748SS**  trans-118.8119.6149.5-82.3-75.7105.400108.2
295N36.1Very low34.2Very low134 Ų134135.9 Ų135.972%0.71775%0.754SS**  trans-151.9137.4178.3-154.7-12.1000112.1
296S32.5Very low34.2Very low95 Ų95138.6 Ų138.666%0.66476%0.76SS**  trans56.5115.4171.2-640000119.4S298S296-S298 PolarHBondContact O-N 2.85Å
297P39.9Very low34.3Very low132 Ų132136.9 Ų136.986%0.85776%0.759SS**PPolyproline II helixtrans-70.5127.8160.230.6-31.8000110.1
298S35.8Very low34.4Very low117 Ų117138.5 Ų138.582%0.81876%0.764SS**PPolyproline II helixtrans-74.7140.8-178-73.90000112.9S296 V300S296-S298 PolarHBondContact O-N 2.85Å; S298-V300 PolarHBondContact O-N 3.18Å
299K35.8Very low34.5Very low195 Ų195139.2 Ų139.285%0.84877%0.768SS**PPolyproline II helixtrans-67.2128177.1-61.3179.5-179.7-178.20110.6V301K299-V301 PolarHBondContact O-N 3.28Å; K299-V301 VanDerWaalsContact O-N 3.12Å
300V36.1Very low34.8Very low138 Ų138141.9 Ų141.984%0.83676%0.759SS**  trans-77.896.4172.7179.60000109.2S298 C302S298-V300 PolarHBondContact O-N 3.18Å; V300-C302 PolarHBondContact O-N 2.93Å
301V35.8Very low35.6Very low106 Ų106143.1 Ų143.164%0.64277%0.765SS**  trans-80.9102.7175.8-178.10000109.6K299 N303K299-V301 PolarHBondContact O-N 3.28Å; K299-V301 VanDerWaalsContact O-N 3.12Å; V301-N303 WeakPolarHBondContact CG1-OD1 3.23Å; V301-N303 PolarHBondContact O-N 2.89Å
302C34.2Very low35.8Very low111 Ų111144.8 Ų144.875%0.7577%0.765SS**  trans-72.394.3168-88.80000110.5V300 T304V300-C302 PolarHBondContact O-N 2.93Å; C302-T304 PolarHBondContact O-N 2.87Å
303N31.5Very low36.1Very low136 Ų136142.6 Ų142.673%0.72777%0.766SS**  trans-65.586.8174.9-81-15.3000112.2V301 I305V301-N303 WeakPolarHBondContact CG1-OD1 3.23Å; V301-N303 PolarHBondContact O-N 2.89Å; N303-I305 PolarHBondContact O-N 3.48Å
304T36.8Very low36.3Very low111 Ų111142.4 Ų142.468%0.68177%0.772SS**  trans-85.599.2161.8-560000108.8C302 Y306C302-T304 PolarHBondContact O-N 2.87Å; T304-Y306 HydrophobicContact CG2-CD2 3.87Å; T304-Y306 HydrophobicContact CG2-CE2 3.98Å; T304-Y306 PolarHBondContact O-N 2.73Å
305I35.6Very low36.4Very low143 Ų143139 Ų13973%0.73377%0.767SS**  trans-73.693.6179.9-54.7178000109.7N303 T307N303-I305 PolarHBondContact O-N 3.48Å; I305-T307 HydrophobicContact CG2-CG2 3.96Å; I305-T307 PolarHBondContact O-N 3.22Å
306Y32.5Very low36.3Very low212 Ų212139.4 Ų139.483%0.83177%0.774SS**  trans-84.797.7161.9-96.4-84.9000109.4T304 K308T304-Y306 HydrophobicContact CG2-CD2 3.87Å; T304-Y306 HydrophobicContact CG2-CE2 3.98Å; T304-Y306 PolarHBondContact O-N 2.73Å; Y306-K308 PolarHBondContact O-N 3.22Å
307T35.6Very low36.2Very low111 Ų111141.6 Ų141.668%0.68178%0.778SS**  trans-69.392.8171.445.60000110.5I305 L309I305-T307 HydrophobicContact CG2-CG2 3.96Å; I305-T307 PolarHBondContact O-N 3.22Å; T307-L309 VanDerWaalsContact C-N 3.33Å; T307-L309 PolarHBondContact O-N 3.18Å
308K35.9Very low36Very low168 Ų168142.4 Ų142.473%0.7377%0.773SS**  trans-71.285.8172.2-170.2-167.1175.7-161.40110.3Y306 E310Y306-K308 PolarHBondContact O-N 3.22Å; K308-E310 WeakPolarHBondContact CE-OE1 3.46Å; K308-E310 IonicContact NZ-OE1 2.6Å; K308-E310 PolarHBondContact NZ-OE1 2.87Å
309L37.2Very low35.8Very low156 Ų156143 Ų14382%0.81777%0.766SS**  trans-88.1103.5171.1-71.7170.8000110T307T307-L309 VanDerWaalsContact C-N 3.33Å; T307-L309 PolarHBondContact O-N 3.18Å
310E39.9Very low35.7Very low134 Ų134140.6 Ų140.663%0.62676%0.763SS**  trans-85.8125.9164.5-73.9179.3-177.400110K308 K312K308-E310 WeakPolarHBondContact CE-OE1 3.46Å; K308-E310 IonicContact NZ-OE1 2.6Å; K308-E310 PolarHBondContact NZ-OE1 2.87Å; E310-K312 PolarHBondContact O-N 3.5Å
311P47.9Very low35.7Very low128 Ų128139 Ų13983%0.83175%0.753SS**  trans-77.5111.3167.630.6-30.7000109.7
312K39Very low35.7Very low181 Ų181139.5 Ų139.579%0.78776%0.757SS**  trans-68.7140.8165.6-74.2-177.6176.4179.20109.8E310E310-K312 PolarHBondContact O-N 3.5Å
313P36.5Very low35.7Very low126 Ų126141 Ų14182%0.81876%0.757SS**  trans-69135.217030-33.6000109.9
314L35.3Very low35.9Very low167 Ų167138.4 Ų138.487%0.87475%0.754SS**  trans-125.5115.6168.7-72.5178.1000109.1
315S35.1Very low35.8Very low119 Ų119137.6 Ų137.683%0.83275%0.749SS**  trans-98132174.844.80000110.3
316V33.8Very low35.8Very low142 Ų142132.4 Ų132.486%0.86173%0.725SS**  trans-137.6130.9165.3-177.20000108.4
317N31.1Very low36Very low140 Ų140126.8 Ų126.875%0.74971%0.712SS**  trans-133.8135.2-178.3-148.43.4000107.5
318I34.7Very low35.9Very low150 Ų150127.1 Ų127.177%0.76971%0.714SS**  trans-179.9102.1167.8-91141000104.1
319I31.5Very low35.8Very low130 Ų130124.1 Ų124.167%0.66771%0.71SS**  69.1111.566.1-56167.9000113.2
320N33.7Very low35.7Very low144 Ų144122.1 Ų122.177%0.7771%0.705SS**  trans151.1139.5149.7-84.9-18.6000111.9
321T35.7Very low35.5Very low105 Ų105120.9 Ų120.964%0.64471%0.707SS**  cis-165.2159.2-22.5-12.40000109.8
322T35.8Very low34.8Very low116 Ų116120.3 Ų120.371%0.71270%0.701SS**  trans62.6150.1158.959.70000119.1
323N34.5Very low34.7Very low143 Ų143116.9 Ų116.977%0.76570%0.695SS**  cis-159.5136.1-13.4-101.1-8.3000108.1
324A35.2Very low34.7Very low80 Ų80116.1 Ų116.166%0.66169%0.688SS**  63.514398.600000116.2
325T36.3Very low34.8Very low94 Ų94115.6 Ų115.658%0.57769%0.687SS**  cis-143.9-100.841.3-49.50000116.8L532T325-L532 CarbonylContact O-C 3.53Å; T325-L532 VanDerWaalsContact O-O 3.08Å
326T34.1Very low34.8Very low35 Ų35113 Ų11322%0.21568%0.678CS.*  trans-160.2-149-164.9-290000115N531 L532T326-N531 HydrophobicContact CG2-CB 4.13Å; T326-N531 WeakPolarHBondContact CG2-OD1 3.3Å; T326-L532 HydrophobicContact CG2-CB 4.23Å
327T36.8Very low34.8Very low93 Ų93112.5 Ų112.557%0.57168%0.675SS**  trans63.6128.1155.951.30000119.2L534T327-L534 WeakPolarHBondContact O-CD1 3.44Å
328T33.9Very low35Very low118 Ų118111.2 Ų111.272%0.72467%0.672SS**  cis-164.4-176.25.22.10000108.8
329T34.5Very low35Very low106 Ų106109.1 Ų109.165%0.6567%0.667SS**  cis-166.3153.739.5-25.40000112.8
330T34.3Very low35.1Very low114 Ų114109.8 Ų109.870%0.69967%0.672SS**  trans63.9133.5148.145.20000120.2
331T35.1Very low34.9Very low108 Ų108109.4 Ų109.466%0.66367%0.67SS**  cis-169.5160.8-7.29.20000111
332T35Very low34.7Very low115 Ų115108.4 Ų108.471%0.70667%0.667SS**  trans63.7138.6143.357.70000119.5
333T35.8Very low34.5Very low109 Ų109109.5 Ų109.567%0.66967%0.669SS**  cis-171.2155.50.214.40000111.3
334T35.9Very low34.3Very low111 Ų111109.8 Ų109.868%0.68167%0.67SS**  trans61.7146.7147.457.40000119.5
335N37.2Very low34.2Very low156 Ų156111.2 Ų111.283%0.83467%0.671SS**  cis-164.4162.3-5.1-105.1-13.3000110.1
336G36.3Very low34Very low64 Ų64112 Ų11266%0.6668%0.676SS**  trans104.5109.817100000113.9
337V34.1Very low33.9Very low131 Ų131117.4 Ų117.479%0.79470%0.703SS**  cis70.2121.929.3-164.70000110.2
338T35.2Very low33.8Very low113 Ų113117.6 Ų117.669%0.69371%0.709SS**  cis-156138.833-8.10000113.8
339T34.6Very low33.9Very low106 Ų106117.1 Ų117.165%0.6571%0.71SS**  trans38.1146.1132.964.40000125.3
340N33.2Very low34.1Very low144 Ų144120.7 Ų120.777%0.7772%0.719SS**  trans70.8132.8138.8-67.6-7.4000118.7
341N29.9Very low34Very low136 Ų136121 Ų12173%0.72772%0.721SS**  cis109.4133.730.6-179.418.6000110.8
342S30Very low34.1Very low85 Ų85123.7 Ų123.759%0.59473%0.731SS**  trans82.7138.2162.3-61.60000120.6
343N33.4Very low33.9Very low139 Ų139123 Ų12374%0.74373%0.73SS**  trans78.4102.4142.9-63.7-14.2000122.8
344N29.7Very low33.9Very low148 Ų148127.9 Ų127.979%0.79174%0.743SS**  71.9164.1117-92.2-17.3000123.5
345T33.1Very low33.9Very low111 Ų111130.6 Ų130.668%0.68175%0.745SS**  trans81.591.5150.130.60000121.6
346T32.5Very low33.9Very low110 Ų110129.1 Ų129.168%0.67574%0.744SS**  70.3142.4121.156.10000122.9
347N31.7Very low33.7Very low149 Ų149130.6 Ų130.680%0.79774%0.74SS**  trans76.1144.7151.7-63.9-15.9000117.5
348S35.4Very low33.7Very low97 Ų97131.4 Ų131.468%0.67874%0.738SS**  cis-168.6143.5-6.443.20000114.6
349S34.8Very low33.6Very low107 Ų107134 Ų13475%0.74874%0.743SS**  trans74.2155.2141.6-61.20000122.3
350Q39.4Very low33.4Very low181 Ų181133.9 Ų133.985%0.84675%0.746SS**  trans81.1137.1168.7-57.1179.487.700117.6
351T32.5Very low33.4Very low120 Ų120134.7 Ų134.774%0.73675%0.75SS**  cis-179171-48.626.80000107.9
352L35.7Very low33.5Very low166 Ų166132.4 Ų132.487%0.86974%0.744SS**  trans7794.7176.2-46.5175.5000113.9
353S31.9Very low33.7Very low100 Ų100134 Ų13470%0.69976%0.755SS**  cis81.790.841.7-175.50000116.1
354F35.2Very low33.8Very low212 Ų212132.8 Ų132.893%0.9375%0.753SS**  trans-134.7145.7143.3-90.7-77.5000110.9
355K35.2Very low34.3Very low168 Ų168130.3 Ų130.373%0.7374%0.739SS**  trans-83.5144.6-153.9-55167.5179.9175.30114.7
356P38.1Very low34.9Very low125 Ų125128.8 Ų128.881%0.81273%0.731SS**  trans-78.6124.3135.332.8-27.2000109I358P356-I358 PolarHBondContact O-N 3.09Å
357T32.8Very low35.5Very low95 Ų95126.5 Ų126.558%0.58372%0.718SS**  trans-95.598.2-175.6-58.60000111.4H359T357-H359 WeakPolarHBondContact CG2-CD2 3.38Å
358I32.3Very low35.6Very low147 Ų147125.5 Ų125.575%0.75471%0.712SS**  trans-89.8123.3159.3-61.2175.2000107.6P356P356-I358 PolarHBondContact O-N 3.09Å
359H33.5Very low35.7Very low169 Ų169128.1 Ų128.178%0.78272%0.717SS**  trans-112.8104.9168.4-92.6-60.7000110.3T357T357-H359 WeakPolarHBondContact CG2-CD2 3.38Å
360S31.6Very low35.4Very low103 Ų103129.2 Ų129.272%0.7272%0.715SS**  trans-92.1113.3173.7-510000110.6
361L32.6Very low35.1Very low161 Ų161127.1 Ų127.184%0.84371%0.709SS**  trans-152.7135.4161.2-70.1179.9000106.8
362S32.5Very low35.1Very low88 Ų88126.3 Ų126.362%0.61571%0.708SS**  cis157.8124.3-17.945.10000104.7
363S34.7Very low34.8Very low117 Ų117122.8 Ų122.882%0.81870%0.697SS**  trans73.7140.2-173.7-240000113.8
364V34.4Very low34.8Very low115 Ų115123.6 Ų123.670%0.69769%0.693SS**  cis-129.3159.66.9176.40000109.5I249I249-V364 WeakPolarHBondContact O-CG1 3.47Å
365L39.7Very low34.8Very low96 Ų96117.9 Ų117.950%0.50367%0.67SS.*  trans-109.6-173.3-164-91.3141.3000113.9S248 I249 L250S248-L365 WeakPolarHBondContact O-CB 3.42Å; I249-L365 CarbonylContact C-O 3.42Å; I249-L365 CarbonylContact O-C 3.42Å; I249-L365 VanDerWaalsContact O-CA 3.28Å; I249-L365 WeakPolarHBondContact O-CA 3.28Å; I249-L365 VanDerWaalsContact O-CB 3.28Å; I249-L365 WeakPolarHBondContact O-CB 3.2Å; I249-L365 PolarHBondContact O-N 2.82Å; L250-L365 WeakPolarHBondContact CA-O 3.2Å; L250-L365 PolarHBondContact N-O 3.22Å
366P47Very low34.7Very low78 Ų78113.1 Ų113.151%0.50665%0.65SS.*  trans-102.1-152.6-169.536.5-30.2000114.5I249I249-P366 WeakPolarHBondContact CA-O 3.41Å; I249-P366 PolarHBondContact N-O 3.35Å
367P44.2Very low34.5Very low62 Ų62111.6 Ų111.640%0.40364%0.64SS.*  -158.8-179.892.347.1-26.8000117.3L250L250-P367 HydrophobicContact CD1-CG 3.63Å; L250-P367 HydrophobicContact CG-CG 4.4Å
368L35.2Very low34.5Very low129 Ų129114.6 Ų114.668%0.67565%0.647SS**  trans34.2141.1132.5-59.7165000120
369L36.1Very low34.8Very low152 Ų152112.2 Ų112.280%0.79664%0.641SS**  cis-137.1154.917.6-66.1165.8000109.6
370N29.9Very low34.9Very low129 Ų129111.3 Ų111.369%0.6964%0.637SS**  cis93.2147.824.4-162.331.1000115.7
371L32.7Very low35.1Very low138 Ų138113.4 Ų113.472%0.72364%0.635SS**  trans73.9124.7-170.2-84.254.5000113.9
372S31.5Very low35.3Very low102 Ų102111.8 Ų111.871%0.71362%0.623SS**  cis69.3133.942.9-174.50000111.5
373S30.6Very low35.5Very low92 Ų92114.6 Ų114.664%0.64363%0.626SS**  cis-174.7-159.9-7.3-80.60000103
374N30.8Very low35.5Very low117 Ų117116 Ų11663%0.62662%0.619SS**  trans77.6101.6147.7-66.85.8000120.5
375H36.2Very low35.6Very low93 Ų93115.5 Ų115.543%0.43162%0.617SS.*  101.5141.5115.1-58.8-14.5000120.4N904 I905H375-N904 VanDerWaalsContact CD2-C 3.46Å; H375-I905 WeakPolarHBondContact CA-O 3.44Å; H375-I905 HydrophobicContact CB-CB 3.89Å; H375-I905 HydrophobicContact CB-CG2 4.05Å; H375-I905 WeakPolarHBondContact CB-O 3.36Å; H375-I905 PolarHBondContact CD2-N 3.04Å; H375-I905 PolarHBondContact CE1-N 3.03Å; H375-I905 VanDerWaalsContact CE1-N 3.33Å; H375-I905 PolarHBondContact ND1-O 3.02Å; H375-I905 PolarHBondContact NE2-N 2.95Å
376H31.4Very low35.4Very low67 Ų67117.4 Ų117.431%0.3163%0.633SS.*  trans-74.9-174.5169.4-138.373.4000109I905 S906 I907H376-I905 HydrophobicContact CB-CG2 4.23Å; H376-I905 WeakPolarHBondContact O-CG2 3.5Å; H376-S906 WeakPolarHBondContact CB-O 3.07Å; H376-I907 HydrophobicContact CB-CD1 4.21Å; H376-I907 HydrophobicContact CB-CG2 4.47Å; H376-I907 VanDerWaalsContact CE1-CG2 3.43Å; H376-I907 WeakPolarHBondContact CE1-CG2 3.49Å; H376-I907 PolarHBondContact ND1-O 3.12Å
377P34.8Very low34.8Very low94 Ų94117 Ų11761%0.6164%0.643SS**  cis-136.6179.6942.4-22.8000118.7
378H33.9Very low34.3Very low158 Ų158119.4 Ų119.473%0.73165%0.652SS**  trans-33153.9151.7-100.9-46.5000113.7
379P38.4Very low34.2Very low97 Ų97119.6 Ų119.663%0.6365%0.651SS**  -159.5-17756.345.4-24.7000119.9
380H35.7Very low34Very low150 Ų150119 Ų11969%0.69465%0.649SS**  trans71.9120.7144.2-71.5-42.6000124.4
381H35.9Very low33.9Very low146 Ų146120.5 Ų120.568%0.67665%0.652SS**  trans62.6151.3137.6-70.3-74.4000120.2
382H35.8Very low33.8Very low128 Ų128122.9 Ų122.959%0.59366%0.659SS**  cis-157.9140.53.7-132.4-57.3000111.1
383H35.9Very low33.6Very low146 Ų146128.4 Ų128.468%0.67667%0.666SS**  trans61.8160.2156.9-71.4-32.4000118
384Q35.4Very low33.5Very low146 Ų146128.8 Ų128.868%0.68267%0.669SS**  cis-165150-9-111.9170.544.700106.3
385T35.9Very low33.3Very low105 Ų105132.4 Ų132.464%0.64468%0.679SS**  cis-163.6165.1-12.8-7.20000108.8
386T36.8Very low33Very low137 Ų137132.2 Ų132.284%0.8469%0.688SS**  trans62.6140165.852.10000117
387G33.4Very low32.7Very low70 Ų70136.3 Ų136.372%0.72271%0.711SS**  cis114.1144.121.400000109.1
388L34Very low32.4Very low112 Ų112136.4 Ų136.459%0.58671%0.712SS**  cis-162.315912.8-92.1167.4000109.7
389M32.4Very low32.2Very low132 Ų132135.7 Ų135.765%0.6571%0.714SS**  trans66.9159.2151.2-68.6156.3167.900117.2
390N32Very low31.7Very low141 Ų141135.5 Ų135.575%0.75472%0.715SS**  cis-143.1176-6.6-143.442.8000112
391E29.1Very low31.4Very low160 Ų160132.6 Ų132.675%0.74872%0.717SS**  trans-63.9150.3170.3-59.1-179101.500113.5
392Q30.7Very low31.2Very low188 Ų188135.8 Ų135.888%0.87973%0.725SS**  trans-149.6109.4149.3-127.6171.9-300111.2
393Y25.9Very low31Very low217 Ų217133.8 Ų133.885%0.85173%0.73SS**  trans-69.7124.6162.3-107.8-99.9000108.4
394S30.3Very low30.8Very low101 Ų101132.7 Ų132.771%0.70674%0.739SS**  trans-129.9111.6175.760.90000112.1
395F25.2Very low30.6Very low192 Ų192129.1 Ų129.184%0.84274%0.741SS**  trans-75.8132.3162.9-97.4-106.1000110
396S29.7Very low30.5Very low89 Ų89131.1 Ų131.162%0.62275%0.746SS**  trans-160.3123.1164.951.10000106.7
397I26.6Very low30.3Very low154 Ų154131.2 Ų131.279%0.7974%0.742SS**  cis56.981.320.6-46.6-178.2000112.8
398C28.3Very low30.2Very low95 Ų95132.6 Ų132.664%0.64274%0.74SS**  trans-170.2120.615253.20000105.5
399D28.5Very low30.4Very low143 Ų143132.2 Ų132.277%0.76575%0.747SS**  70.1125.9100-69.8-65.6000114
400S29.1Very low30.6Very low94 Ų94131.3 Ų131.366%0.65775%0.753SS**  cis94.712338.9930000113.9
401A28.9Very low30.9Very low88 Ų88129.3 Ų129.373%0.72775%0.751SS**  trans62.716816600000119.8
402Y31.5Very low31.4Very low214 Ų214126.9 Ų126.984%0.83975%0.751SS**  trans50.6113.4174.7-74.8-95.4000117.4
403A30.6Very low31.8Very low85 Ų85123.2 Ų123.270%0.70275%0.746SS**  cis65.898.923.300000116.2
404S31.8Very low32.6Very low124 Ų124117.3 Ų117.387%0.86774%0.743SS**  trans-171.2140.4137.7-86.20000111.1
405G32.6Very low33.1Very low70 Ų70117.4 Ų117.472%0.72274%0.743SS**  trans-165.227-168.500000116.6
406I32.9Very low33.7Very low148 Ų148113.7 Ų113.776%0.75974%0.741SS**  trans36.3105.415853163.9000119.9
407N32.4Very low34.5Very low139 Ų139115.2 Ų115.274%0.74375%0.749SS**  175.5120.398.6-94.3-57.6000115.4
408S31.8Very low35.1Very low98 Ų98112 Ų11269%0.68575%0.745SS**  40113.5124-46.10000121.1
409S37.7Very low35.4Very low105 Ų105114.7 Ų114.773%0.73476%0.758SS**  160.6135.5104.8-67.50000114.3
410S36.8Very low36.1Very low112 Ų112111.5 Ų111.578%0.78376%0.759SS**  trans47.2143.8146.956.90000122.3
411S38.1Very low36.4Very low100 Ų100115.2 Ų115.270%0.69977%0.766SS**  cis-176.2166.1-9.850.60000110.5
412S39.5Very low36.8Very low109 Ų109117.8 Ų117.876%0.76277%0.767SS**  trans64.2143.1158.242.20000119.3
413S40.5Very low37.1Very low111 Ų111115 Ų11578%0.77677%0.765SS**  cis-173.3156.5-7.946.30000112.7
414A41.6Very low37.2Very low93 Ų93116.1 Ų116.177%0.76977%0.767SS**  trans68.8144.6162.800000118.5
415S40.2Very low37.6Very low103 Ų103115.8 Ų115.872%0.7276%0.763SS**  cis-162.1133.6-18.7-81.10000106.7
416S37.8Very low37.7Very low113 Ų113116.8 Ų116.879%0.7976%0.764SS**  78146.952.6-61.80000114.6
417P46.4Very low37.8Very low122 Ų122118.7 Ų118.779%0.79277%0.767SS**  cis-145.4-147.5-24.641.9-20.7000113.9
418A39.3Very low37.9Very low87 Ų87114.9 Ų114.972%0.71975%0.751SS**  trans82.3114171.800000116.4
419V36.1Very low38Very low150 Ų150117.5 Ų117.591%0.90975%0.747SS**  cis87.9121.127.1-172.70000114.6
420G42Very low37.8Very low76 Ų76116.7 Ų116.778%0.78474%0.741SS**  trans174.8120.1172.600000111
421E36.1Very low37.6Very low173 Ų173116.3 Ų116.381%0.80874%0.739SS**  trans-99.4169.7-173.8-60.9172111.300113.1
422L36.7Very low37.3Very low142 Ų142117 Ų11774%0.74374%0.739SS**  138.8113.7128.3-68.7-178.7000116.3
423I37.6Very low36.9Very low155 Ų155120.7 Ų120.780%0.79574%0.742SS**  trans73145135.6-59172.2000120.1
424S33.6Very low36.4Very low108 Ų108120.5 Ų120.576%0.75574%0.74SS**  trans-107-155.3-174.9-42.30000111.4
425P39.6Very low35.9Very low118 Ų118120.6 Ų120.677%0.76674%0.735SS**  cis-142.5163.6-12.139.6-19.8000119
426A34.5Very low35.4Very low91 Ų91123.1 Ų123.175%0.75274%0.74SS**  trans68.4155.3138.900000126
427K35.9Very low35.1Very low187 Ų187121.9 Ų121.981%0.81373%0.731SS**  trans88.5153.7164.9-56.5177.7-177176.50119.4
428S33.8Very low34.4Very low59 Ų59121.3 Ų121.341%0.41373%0.73SS.*  cis-178.6148.8-43.7-920000112.5V1004 T1005S428-V1004 CarbonylContact C-O 3.44Å; S428-V1004 WeakPolarHBondContact CA-O 3.37Å; S428-V1004 PolarHBondContact N-O 2.8Å; S428-T1005 CarbonylContact C-O 2.94Å; S428-T1005 WeakPolarHBondContact CA-O 3.28Å
429Y34.9Very low34.1Very low153 Ų153121.8 Ų121.860%0.673%0.728SS**  trans64177.5170.7-62.4-79.2000118.2V1004 T1005 T1006Y429-V1004 PolarHBondContact N-O 3.4Å; Y429-V1004 VanDerWaalsContact N-O 3.16Å; Y429-V1004 CarbonylContact O-C 3.58Å; Y429-T1005 PolarHBondContact N-O 2.9Å; Y429-T1005 PolarHBondContact O-N 3.12Å; Y429-T1006 WeakPolarHBondContact CD1-O 3.19Å; Y429-T1006 VanDerWaalsContact CE1-O 3.24Å; Y429-T1006 WeakPolarHBondContact CE1-O 3.05Å
430S32.6Very low33.9Very low88 Ų88120.3 Ų120.362%0.61572%0.719SS**  -176.2157.7-56.6-171.20000111.3
431S33.9Very low33.6Very low104 Ų104123.5 Ų123.573%0.72772%0.723SS**  trans67.3155.9164.580.70000117.3
432T31.1Very low33.2Very low114 Ų114122 Ų12270%0.69972%0.721SS**  cis-165.2168.2-1413.40000111
433F30.4Very low33Very low188 Ų188122.5 Ų122.583%0.82572%0.723SS**  trans71.1136.1154.2-87.6-68.9000121.3
434S31.1Very low32.7Very low106 Ų106125.1 Ų125.174%0.74173%0.728SS**  trans66.5145.6148.1-62.50000119.3
435S30.3Very low32.7Very low95 Ų95127.9 Ų127.966%0.66473%0.729SS**  cis-172.2155.3-11.647.10000110.3
436L30.8Very low32.2Very low157 Ų157130.3 Ų130.382%0.82274%0.736SS**  trans62.8107.5161.4-92.569.9000116.4
437S30.9Very low32.1Very low86 Ų86135.4 Ų135.460%0.60174%0.741SS**  84.5108.885.274.10000113.3
438S31.1Very low32Very low110 Ų110134.8 Ų134.877%0.76974%0.741SS**  96.6141.3100.7-68.10000112.7
439S33.5Very low31.9Very low98 Ų98136.3 Ų136.369%0.68575%0.751SS**  cis-159159.9-8.8-90.20000111.5
440T32.4Very low32Very low118 Ų118135.1 Ų135.172%0.72476%0.762SS**  trans27.2132.1149.956.80000122.3
441V34.1Very low31.9Very low144 Ų144136 Ų13687%0.87376%0.759SS**  -133.9143117.3-175.90000109.2
442N28.9Very low31.9Very low142 Ų142142.4 Ų142.476%0.75977%0.767SS**  trans-82.3142.7178.1-90-67.8000112.9
443I32.2Very low32Very low151 Ų151146.2 Ų146.277%0.77477%0.769SS**  trans-128.4123.7152.2-64.2-177000108.6Q445I443-Q445 PolarHBondContact O-N 2.59Å
444K31.7Very low32.2Very low210 Ų210146.2 Ų146.291%0.91377%0.768SS**  trans-67.6116.4178-67.7178177.3178.20110.6
445Q32.2Very low32.3Very low166 Ų166147.5 Ų147.578%0.77677%0.766SS**  trans-141.3137.5161.6-72.6-164.9-1000111.8I443 K447I443-Q445 PolarHBondContact O-N 2.59Å; Q445-K447 PolarHBondContact O-N 2.93Å
446N30.7Very low32.4Very low170 Ų170150.6 Ų150.691%0.90977%0.769SS**  trans-50.2126.1-179.5-70.1-29.4000112.7
447K30.9Very low32.5Very low198 Ų198152.1 Ų152.186%0.86177%0.77SS**  trans-128.386.9169.7-74.5-172.1177.6176.40112.5Q445Q445-K447 PolarHBondContact O-N 2.93Å
448H34.5Very low32.6Very low173 Ų173154.6 Ų154.680%0.80178%0.775SS**  trans9124.8149.7-99.9-69.3000118.7
449S31.7Very low32.8Very low91 Ų91155 Ų15564%0.63678%0.775SS**  trans-55.8140.6159.5-34.10000111.3I451S449-I451 VanDerWaalsContact C-N 3.28Å; S449-I451 PolarHBondContact O-N 3.23Å
450P36.6Very low32.8Very low128 Ų128158 Ų15883%0.83178%0.781SS**  trans-73.582.1171.930.9-34.4000110.3R452P450-R452 PolarHBondContact O-N 3.33Å
451I31.4Very low33Very low106 Ų106163 Ų16354%0.54479%0.787SS.*  trans-68.481.7173.8-59.4178.9000108.8S449 R453S449-I451 VanDerWaalsContact C-N 3.28Å; S449-I451 PolarHBondContact O-N 3.23Å; I451-R453 HydrophobicContact CG2-CG 4.02Å; I451-R453 PolarHBondContact O-N 3Å
452R33.4Very low33.2Very low239 Ų239162 Ų16290%0.90278%0.783SS**  trans-77.268.8177.2-159.2178.5-166.6-148.22.6110.6P450 K454P450-R452 PolarHBondContact O-N 3.33Å; R452-K454 PolarHBondContact O-N 2.86Å
453R33.2Very low33.5Very low195 Ų195164.5 Ų164.574%0.73679%0.79SS**  trans-50.5112.2166.5-79.5162.1-172.9129.3-1.2108.4I451 I455I451-R453 HydrophobicContact CG2-CG 4.02Å; I451-R453 PolarHBondContact O-N 3Å; R453-I455 PolarHBondContact O-N 3.48Å
454K34.9Very low33.9Very low187 Ų187162.4 Ų162.481%0.81379%0.789SS**  trans-65.3105.1162-84.7-170.8173.4-176.60107.1R452 H456R452-K454 PolarHBondContact O-N 2.86Å; K454-H456 PolarHBondContact O-N 3.01Å
455I32.1Very low34.3Very low134 Ų134161.5 Ų161.569%0.68779%0.788SS**  trans-66.5104.1172-61.4173.2000106.7R453 F457R453-I455 PolarHBondContact O-N 3.48Å; I455-F457 HydrophobicContact CB-CE2 4.5Å; I455-F457 HydrophobicContact CG2-CD2 4.09Å; I455-F457 HydrophobicContact CG2-CE2 3.91Å; I455-F457 HydrophobicContact CG2-CZ 4.33Å; I455-F457 PolarHBondContact O-N 3.14Å; I455-F457 VanDerWaalsContact O-N 3.17Å
456H34.3Very low34.3Very low160 Ų160161.4 Ų161.474%0.74179%0.787SS**  trans-73.8102.5167.4-97.2-91000108.4K454 I458K454-H456 PolarHBondContact O-N 3.01Å; H456-I458 PolarHBondContact O-N 3.28Å
457F31.1Very low34.5Very low188 Ų188161.9 Ų161.983%0.82579%0.789SS**  trans-65.9101.9161.7-75.8-88.1000108.2I455 P459I455-F457 HydrophobicContact CB-CE2 4.5Å; I455-F457 HydrophobicContact CG2-CD2 4.09Å; I455-F457 HydrophobicContact CG2-CE2 3.91Å; I455-F457 HydrophobicContact CG2-CZ 4.33Å; I455-F457 PolarHBondContact O-N 3.14Å; I455-F457 VanDerWaalsContact O-N 3.17Å; F457-P459 WeakPolarHBondContact O-CD 3.29Å
458I33.5Very low34.6Very low139 Ų139158.9 Ų158.971%0.71378%0.782SS**  trans-84114.5168.3-59.8175.1000106.3H456 I460H456-I458 PolarHBondContact O-N 3.28Å; I458-I460 PolarHBondContact O-N 3.15Å; I458-I460 VanDerWaalsContact O-N 3.14Å
459P35.7Very low34.8Very low118 Ų118156 Ų15677%0.76678%0.778SS**  trans-66.3115.7176.726.3-32.6000109.6F457 R461F457-P459 WeakPolarHBondContact O-CD 3.29Å; P459-R461 PolarHBondContact O-N 3.25Å; P459-R461 VanDerWaalsContact O-N 3.11Å
460I34Very low35Very low160 Ų160158.9 Ų158.982%0.82179%0.792SS**  trans-70.1107.5179.8-59.5174.2000108.3I458I458-I460 PolarHBondContact O-N 3.15Å; I458-I460 VanDerWaalsContact O-N 3.14Å
461R36.2Very low34.7Very low225 Ų225155.4 Ų155.485%0.84978%0.78SS**PPolyproline II helixtrans-74.3124.6172.3-159.6175.9-161.1142.33.6108.6P459 Q463P459-R461 PolarHBondContact O-N 3.25Å; P459-R461 VanDerWaalsContact O-N 3.11Å; R461-Q463 PolarHBondContact O-N 3.05Å
462P38.4Very low34.9Very low121 Ų121158.7 Ų158.779%0.78680%0.798SS**PPolyproline II helixtrans-61.9124.1-179.6-23.534000111.4
463Q33.8Very low34.9Very low196 Ų196155 Ų15592%0.91679%0.791SS**PPolyproline II helixtrans-92.5132.5162.3-76.9-170.7-25.900109.1R461R461-Q463 PolarHBondContact O-N 3.05Å
464S40.6Very low35.2Very low106 Ų106151.1 Ų151.174%0.74179%0.791SS**  trans-142.5146.7164.558.30000110.3
465Q40.2Very low35.1Very low192 Ų192147.7 Ų147.790%0.89779%0.786SS**  trans65.580.9174.8-49.9-160.62400116.4
466Q33.6Very low35.2Very low163 Ų163150.9 Ų150.976%0.76279%0.79SS**  trans-64.2154.6151.5-60.9167-27.800111L468Q466-L468 HydrophobicContact CB-CD1 3.91Å; Q466-L468 HydrophobicContact CG-CD1 4.22Å
467L34.7Very low35.1Very low180 Ų180150.3 Ų150.394%0.94279%0.787SS**  trans-140.1150.8134.5-94.8176.7000108.9
468L33.7Very low35.2Very low135 Ų135152.1 Ų152.171%0.70779%0.788SS**  trans-123.5176.6-159.9-109.682.3000113.1Q466Q466-L468 HydrophobicContact CB-CD1 3.91Å; Q466-L468 HydrophobicContact CG-CD1 4.22Å
469P38.3Very low35.1Very low112 Ų112154.2 Ų154.273%0.72779%0.793SS**  trans-103174.5-146.941.2-40.7000116
470V35.4Very low35.3Very low152 Ų152156 Ų15692%0.92180%0.795SS**  trans-136.3146.1159.2-176.60000109.1
471G30.2Very low35.3Very low56 Ų56153.4 Ų153.458%0.57779%0.791SS**  trans-155170.3165.400000110.3
472N36.3Very low35.4Very low175 Ų175147 Ų14794%0.93679%0.787SS**  trans-169.4150.8158.5-100.2-30000113.8
473Q32.9Very low35.5Very low161 Ų161148 Ų14875%0.75279%0.785SS**  trans-84.6167.8165-85.5-78.2-8.800109.3
474P39.2Very low35.8Very low113 Ų113145.9 Ų145.973%0.73478%0.78SS**  -157.9160.652.242.5-19.6000121.8
475T33.5Very low35.7Very low116 Ų116144.1 Ų144.171%0.71278%0.779SS**  trans15.6118.1133.3-40.30000121.6
476R33.1Very low35.6Very low201 Ų201141.7 Ų141.776%0.75878%0.777SS**  175.4148115.9-101.9-168.6173.9-147.110.4115.5
477Q33Very low35.7Very low147 Ų147139.1 Ų139.169%0.68777%0.773SS**  trans25138.9139.8-58170.7-29.900119.2
478R33.7Very low35.8Very low226 Ų226136.8 Ų136.885%0.85377%0.766SS**  -179.912069.4-167.6-179.4-165.8168.65.1115.3
479F30.7Very low35.9Very low183 Ų183135 Ų13580%0.80376%0.761SS**  trans61.5161.9146.5-77-113.9000123.4
480L39.2Very low35.7Very low157 Ų157135.7 Ų135.782%0.82276%0.763SS**  trans81.5137.7167.4-50.4-178.4000117.3
481S34.5Very low35.7Very low104 Ų104134 Ų13473%0.72775%0.753SS**  cis-172.1159.8-30-114.80000111.2
482A39Very low35.9Very low92 Ų92137.9 Ų137.976%0.7677%0.766SS**  trans69.9148.5160.900000119.4
483N40.4Very low35.9Very low140 Ų140133 Ų13375%0.74976%0.757SS**  cis-164.2164.7-35.9-136.430.8000111.6
484N39.2Very low36.2Very low152 Ų152132.2 Ų132.281%0.81376%0.764SS**  trans68.1143.6172.5-45.9-14.8000114.4
485G39.8Very low36Very low69 Ų69130 Ų13071%0.71176%0.762SS**  cis164152-2.900000108.4
486T37.1Very low36.3Very low141 Ų141131.7 Ų131.787%0.86577%0.772SS**  cis-152.3156.34.2-56.50000109.8
487T35.1Very low36.4Very low109 Ų109126.3 Ų126.367%0.66977%0.77SS**  trans-77153.8179.450.10000114.9
488T37.8Very low36.5Very low131 Ų131123.6 Ų123.680%0.80477%0.773SS**  -175.8125.1116.138.60000108.7
489T35.9Very low36.8Very low97 Ų97119.8 Ų119.860%0.59578%0.775SS**  cis98.6103.232.162.90000115.3
490T33.5Very low36.9Very low127 Ų127114.3 Ų114.378%0.77977%0.769SS**  trans63.9165.3133.565.60000119.1
491T36.5Very low36.7Very low116 Ų116111.7 Ų111.771%0.71277%0.77SS**  cis-152.7161.38.8-19.90000111.9
492T34.5Very low36.6Very low138 Ų138111.5 Ų111.585%0.84777%0.769SS**  trans-21.6150.1161.655.30000120.3
493G35.9Very low36.4Very low72 Ų72112.8 Ų112.874%0.74277%0.768SS**  trans-173.673.8166.300000118.2
494T38.8Very low36.3Very low146 Ų146113.4 Ų113.490%0.89677%0.771SS**  trans19.2119.1149.955.10000122.5
495G35.6Very low36.2Very low67 Ų67111.9 Ų111.969%0.69177%0.77SS**  96.6152.8113.400000120.9
496T39.3Very low35.9Very low150 Ų150116 Ų11692%0.9278%0.775SS**  trans60.2157.5168.169.50000118.9
497A35Very low36Very low88 Ų88117.1 Ų117.173%0.72777%0.77SS**  cis-164.5145.8-38.300000111.5
498A36.1Very low36Very low91 Ų91115.9 Ų115.975%0.75277%0.766SS**  trans66162.9152.800000121
499V38.4Very low35.9Very low146 Ų146117.7 Ų117.789%0.88577%0.765SS**  trans57.4112.2167.6-161.20000116
500G34.2Very low35.7Very low67 Ų67119.8 Ų119.869%0.69177%0.772SS**  cis128.814727.600000110.4
501A34.6Very low35.7Very low102 Ų102118.5 Ų118.584%0.84377%0.768SS**  trans70112.1157.800000121.8
502S33.1Very low35.6Very low100 Ų100118.6 Ų118.670%0.69977%0.769SS**  84.7106.2120.4-1480000122.2
503T34.7Very low35.5Very low119 Ų119120.1 Ų120.173%0.7377%0.77SS**  71.1141.9129.654.80000123
504N36.8Very low35.3Very low154 Ų154120.2 Ų120.282%0.82477%0.771SS**  trans67.9101.8160-69.9-4.9000119.6
505P37.4Very low35Very low120 Ų120119.2 Ų119.278%0.77977%0.77SS**  trans-94.5139.4150.435.2-28.4000111.8
506N34.3Very low34.8Very low156 Ų156121.6 Ų121.683%0.83478%0.776SS**  trans-161151.8157.9-117.7-29.9000111
507H38.1Very low34.3Very low163 Ų163119.9 Ų119.976%0.75577%0.769SS**  trans65.887.9173.2-77.1-74.1000120.7
508S35.2Very low34.1Very low84 Ų84123.4 Ų123.459%0.58778%0.775SS**  48.2119.9116.162.10000121.7
509H35.7Very low33.7Very low169 Ų169127 Ų12778%0.78278%0.776SS**  -177.5158.5100.6-110.1-92.2000114.5
510L32.8Very low33.4Very low140 Ų140127.8 Ų127.873%0.73377%0.772SS**  trans66.9101.1156.2-101.467000122.4
511S33.6Very low33.1Very low101 Ų101132.8 Ų132.871%0.70678%0.783SS**  81.2138.212275.20000123.1
512T33.4Very low32.8Very low117 Ų117131.2 Ų131.272%0.71878%0.776SS**  trans92101.5148.5-470000119.3
513I31.6Very low32.5Very low171 Ų171133.9 Ų133.988%0.87778%0.782SS**  trans65.8111.7155.9-57.1167.8000117.4
514G33.3Very low32.1Very low74 Ų74134.4 Ų134.476%0.76378%0.776SS**  trans159.7119.5167.100000112.1
515S32.5Very low31.6Very low125 Ų125134 Ų13487%0.87477%0.767SS**  trans-94.3124.6-172.1-53.10000113.5
516S31Very low31.2Very low117 Ų117135.2 Ų135.282%0.81876%0.76SS**  trans173.3148.9135.548.80000114.2
517C29.5Very low31.1Very low113 Ų113132.6 Ų132.676%0.76475%0.754SS**  trans53.1121.8152.4-94.80000123.2
518L28.8Very low30.8Very low163 Ų163130.4 Ų130.485%0.85375%0.748SS**  trans69.3152.1152.7-52.4171.9000114.8
519Q28.6Very low30.6Very low165 Ų165131.4 Ų131.477%0.77176%0.755SS**  cis-160158.534.9170.1167.6-14.800113.2
520M31.2Very low30.5Very low163 Ų163130 Ų13080%0.80375%0.749SS**  trans68.2120.6166.4-81.8-63.2-165.900119.4
521N28.8Very low30.4Very low173 Ų173129.7 Ų129.793%0.92575%0.748SS**  trans-90.2144170-65.9-34000111
522G28.7Very low30.3Very low68 Ų68130.8 Ų130.870%0.70175%0.745SS**  trans-156.6133.1171.700000112.4
523L26Very low30.1Very low157 Ų157128.5 Ų128.582%0.82273%0.731SS**  trans11.4133146.4-51.7174.3000117
524Q27.6Very low30Very low129 Ų129125.2 Ų125.260%0.60371%0.714SS**  cis-173.6166.515.6-133.4170.312.700111.9
525F26.3Very low29.9Very low145 Ų145128.5 Ų128.564%0.63671%0.714SS**  trans68.1148.3146.3-74.6-26.9000118.7
526K29Very low29.9Very low146 Ų146128.5 Ų128.564%0.63571%0.711SS**  cis-161.5170.8-3.6-139.1157.7-173.8156.30112.5
527S31.9Very low29.9Very low101 Ų101132.3 Ų132.371%0.70671%0.707SS**  trans77.1145.9136.170.60000119.6
528N30.2Very low30Very low118 Ų118134.5 Ų134.563%0.63171%0.708SS**  cis-160.5-178.3-10.1-123.242.3000112.7E530N528-E530 PolarHBondContact ND2-OE1 3.17Å
529S31.9Very low30Very low105 Ų105131.1 Ų131.173%0.73469%0.694SS**  trans94.6134.6144.8760000119
530E32.8Very low30Very low139 Ų139129.6 Ų129.665%0.6569%0.691SS**  cis-170.3157.5-29.4-122.3146.1-114.100111.4N528N528-E530 PolarHBondContact ND2-OE1 3.17Å
531N32.4Very low30.1Very low134 Ų134127.6 Ų127.672%0.71768%0.684SS**  trans164.9156.1133.3-85-63.2000110.2T326T326-N531 HydrophobicContact CG2-CB 4.13Å; T326-N531 WeakPolarHBondContact CG2-OD1 3.3Å
532L29.9Very low30.2Very low124 Ų124125.8 Ų125.865%0.64967%0.674SS**  trans-141.6-123.3-148.6-135.2168.8000117.8T325 T326T325-L532 CarbonylContact O-C 3.53Å; T325-L532 VanDerWaalsContact O-O 3.08Å; T326-L532 HydrophobicContact CG2-CB 4.23Å
533V30.9Very low30.2Very low68 Ų68130.7 Ų130.741%0.41268%0.678SS.*  trans78.4141.1-164.91120000114.2
534L28.9Very low30.3Very low102 Ų102127.7 Ų127.753%0.53468%0.676SS.*  cis89.8120.38.8-56.9161.6000116.9T327T327-L534 WeakPolarHBondContact O-CD1 3.44Å
535L30.6Very low30.3Very low143 Ų143130.7 Ų130.775%0.74969%0.69SS**  cis74135.137.9-77.977.9000114.5
536P32.5Very low30.5Very low125 Ų125133.3 Ų133.381%0.81270%0.704SS**  -118.9155.3687.815000114.1
537R30.9Very low30.4Very low198 Ų198138.3 Ų138.375%0.74772%0.719SS**  cis97.1123.430.5-172.1-170.7-166130.35.2113.5
538M31.5Very low30.4Very low159 Ų159141.7 Ų141.778%0.78372%0.724SS**  trans170.6101.6140.5-85.1-5716400106.5
539T30Very low30.4Very low91 Ų91144.2 Ų144.256%0.55873%0.732SS**  61.1119.686.361.70000114.5
540N29Very low30.4Very low133 Ų133147.2 Ų147.271%0.71174%0.738SS**  cis-141.4-143.1-5-71.5-20000107.7
541D32Very low30.1Very low121 Ų121146.8 Ų146.865%0.64774%0.738SS**  cis-161.2170.7-1.6-132-37.4000114.8
542L30.6Very low29.9Very low135 Ų135147.8 Ų147.871%0.70774%0.743SS**  trans43.5111.4159.2-58.4176.7000122.3
543H30Very low29.8Very low171 Ų171150.8 Ų150.879%0.79275%0.754SS**  trans65.190.4135.5-77.9-100.7000122
544A27Very low29.7Very low94 Ų94153.3 Ų153.378%0.77777%0.77SS**  29.199.1116.100000120.4
545E28.1Very low29.7Very low193 Ų193154.3 Ų154.390%0.90277%0.774SS**  trans-155.6-179.8132.1-117-18012300108.8
546Q30.1Very low29.6Very low200 Ų200151.9 Ų151.994%0.93577%0.765SS**  trans64.989.5-178.2-57.5-172.6-46.800116.2
547R28Very low29.6Very low250 Ų250150.1 Ų150.194%0.94375%0.748SS**  trans-137.451159.5-160.5-170.5180-167.8-0.9111.6
548E31.8Very low29.5Very low173 Ų173148.2 Ų148.281%0.80875%0.748SS**  trans-13186.8164.1-77.7-166.4128.400108M551E548-M551 HydrophobicContact CG-CE 4.42Å
549E29Very low29.3Very low171 Ų171148.1 Ų148.180%0.79975%0.751SS**  trans-130.6146.6178.1-161.9172.2-14600107.5
550L32.1Very low29.5Very low167 Ų167150.2 Ų150.287%0.87476%0.759SS**SBendtrans59.353.2-171.8-60.4109000115.9
551M27Very low29.6Very low131 Ų131151.2 Ų151.265%0.64576%0.764SS**  trans-130.2139.4153.1-64.3-167.9-71.600109.5E548E548-M551 HydrophobicContact CG-CE 4.42Å
552N27.3Very low29.8Very low154 Ų154153 Ų15382%0.82477%0.773SS**  trans8737.4177.9-44.1-72.9000119.6T554N552-T554 PolarHBondContact O-N 3.17Å
553E28.5Very low30.7Very low188 Ų188153 Ų15388%0.87977%0.769SS**  trans-83.798.5156.5-73.4-125125.600110.2I555E553-I555 PolarHBondContact O-N 3.22Å
554T28.4Very low31.8Very low120 Ų120149.9 Ų149.974%0.73676%0.755SS**  trans-86.196.9174.3-57.80000110.1N552 V556N552-T554 PolarHBondContact O-N 3.17Å; T554-V556 PolarHBondContact O-N 3.18Å
555I29.3Very low33.2Very low123 Ų123151.2 Ų151.263%0.63175%0.747SS**  trans-71.2125.2175.3-59.4177.8000109.8E553 L557E553-I555 PolarHBondContact O-N 3.22Å; I555-L557 HydrophobicContact CG2-CD2 4.02Å
556V27.6Very low34.6Very low93 Ų93144.7 Ų144.756%0.56472%0.718SS**  trans-101.8107.6174.6178.20000108.4T554 Q558T554-V556 PolarHBondContact O-N 3.18Å; V556-Q558 PolarHBondContact O-N 2.92Å
557L32.4Very low36.3Very low87 Ų87138.2 Ų138.246%0.45569%0.692SS.*  trans-75.1121.6167.3-56.6-174.9000108.2I555 L566I555-L557 HydrophobicContact CG2-CD2 4.02Å; L557-L566 HydrophobicContact CD1-CD2 4.39Å
558Q30.3Very low38.1Very low159 Ų159126.6 Ų126.674%0.74365%0.649SS**  trans-119.3122.9-171.5-176.1176.915.200109.4V556 N560V556-Q558 PolarHBondContact O-N 2.92Å; Q558-N560 PolarHBondContact O-N 3.49Å
559D27.4Very low39.6Very low156 Ų156125.1 Ų125.183%0.83465%0.647SS**  trans-43.5100.2-171.2-71.9-66.7000114
560N33.1Very low41.5Very low136 Ų136121.8 Ų121.873%0.72764%0.638SS**  trans-144.5135.6165.3-84.8-71.2000109.4Q558 N562Q558-N560 PolarHBondContact O-N 3.49Å; N560-N562 PolarHBondContact O-N 3.48Å
561N31.3Very low43.3Very low154 Ų154118.8 Ų118.882%0.82462%0.622SS**SBendtrans-64.4115.9-170.3-50.3-63.4000112.1
562N37.4Very low45.2Very low157 Ų157114.7 Ų114.784%0.8461%0.605SS**SBendtrans-179.3174.7142.1-88.6-28.3000109.6N560 E564N560-N562 PolarHBondContact O-N 3.48Å; N562-E564 PolarHBondContact O-N 2.99Å; N562-E564 VanDerWaalsContact O-N 3.09Å
563H48.2Very low46.8Very low135 Ų135111.6 Ų111.663%0.62559%0.593SS**  trans-68.1105.2175.5-81.2-73000111.1Q602H563-Q602 PolarHBondContact ND1-O 3.35Å
564E53.3Low48.7Very low107 Ų107103.7 Ų103.750%0.556%0.557SS.*  trans-94.8130.7-179.8-158.1162.4-133.900111N562N562-E564 PolarHBondContact O-N 2.99Å; N562-E564 VanDerWaalsContact O-N 3.09Å
565M56.5Low50.2Low121 Ų121102.5 Ų102.560%0.59654%0.54SS*.EExtended strand (participates in β ladder)trans-115112177.9-70.1178.561.200109.1T599 L600 I601M565-T599 HydrophobicContact CB-CG2 4.13Å; M565-T599 HydrophobicContact CE-CG2 3.85Å; M565-L600 WeakPolarHBondContact CA-O 3.41Å; M565-I601 HydrophobicContact CE-CD1 4.37Å; M565-I601 HydrophobicContact CE-CG1 4.45Å; M565-I601 HydrophobicContact CG-CG1 4.3Å; M565-I601 HydrophobicContact CG-CG2 4.41Å
566L58.7Low52Low56 Ų5697.7 Ų97.729%0.29352%0.515SS..EExtended strand (participates in β ladder)trans-101.5114.7177.3-173.573.9000109.3L557 T599 L600L557-L566 HydrophobicContact CD1-CD2 4.39Å; L566-T599 CarbonylContact O-C 3.4Å; L566-T599 WeakPolarHBondContact O-CA 3.41Å; L566-L600 HydrophobicContact CB-CB 4.47Å; L566-L600 PolarHBondContact N-O 2.92Å; L566-L600 PolarHBondContact O-N 2.73Å
567T65Low53.2Low65 Ų6594.3 Ų94.340%0.39949%0.494SS..EExtended strand (participates in β ladder)trans-102134.6172.6-550000109.8T598 T599T567-T598 WeakPolarHBondContact CA-O 3.42Å; T567-T599 WeakPolarHBondContact OG1-CG2 3.45Å; T567-T599 PolarHBondContact OG1-OG1 3.07Å
568T66.3Low54.2Low5 Ų593.3 Ų93.33%0.03149%0.488CS..EExtended strand (participates in β ladder)trans-93.9117-177.355.50000111T572 L594 P595 P596 G597 T598T568-T572 HydrophobicContact CG2-CG2 4.02Å; T568-L594 HydrophobicContact CG2-CB 4.35Å; T568-L594 HydrophobicContact CG2-CD1 4.3Å; T568-P595 PolarHBondContact OG1-O 2.99Å; T568-P596 CarbonylContact O-C 3.47Å; T568-P596 VanDerWaalsContact O-CA 3.23Å; T568-P596 WeakPolarHBondContact O-CA 3.5Å; T568-G597 PolarHBondContact O-N 3.25Å; T568-T598 PolarHBondContact N-O 2.7Å; T568-T598 PolarHBondContact OG1-O 2.78Å
569D62.6Low55Low142 Ų14288.5 Ų88.576%0.75947%0.468SS*.SBendtrans-83.3-17.9176.4-65.5-34.1000113.3
570V69.6Low55.9Low101 Ų10187.5 Ų87.561%0.61246%0.458SS*.SBendtrans-129.8160.1-178-1760000109.1T572V570-T572 PolarHBondContact O-N 2.78Å; V570-T572 PolarHBondContact O-OG1 2.87Å
571L68.4Low56.4Low105 Ų10589.4 Ų89.455%0.5546%0.462SS..  trans-52.9104.2169.6-77.7165.7000110.4T593 L594L571-T593 HydrophobicContact CB-CG2 4.21Å; L571-T593 HydrophobicContact CD2-CG2 3.99Å; L571-L594 WeakPolarHBondContact CA-O 3.49Å
572T67.1Low56.8Low45 Ų4584 Ų8428%0.27644%0.443SS..EExtended strand (participates in β ladder)trans-112.2113.3-167.9-60.70000110.5T568 V570 V574 L594T568-T572 HydrophobicContact CG2-CG2 4.02Å; V570-T572 PolarHBondContact O-N 2.78Å; V570-T572 PolarHBondContact O-OG1 2.87Å; T572-V574 HydrophobicContact CG2-CG2 4.24Å; T572-V574 PolarHBondContact O-N 3.46Å; T572-L594 PolarHBondContact N-O 2.69Å; T572-L594 PolarHBondContact O-N 3.27Å
573P61.1Low57.1Low89 Ų8986.9 Ų86.958%0.57845%0.451SS*.EExtended strand (participates in β ladder)trans-74.4122.8173.529.7-32.5000110.6L592P573-L592 CarbonylContact C-O 3.55Å; P573-L592 WeakPolarHBondContact CA-O 3.48Å
574V69.3Low56.7Low22 Ų2283.7 Ų83.713%0.13344%0.444CS..EExtended strand (participates in β ladder)trans-115.7130.7177.7179.60000109T572 I576 L592 L594 L600T572-V574 HydrophobicContact CG2-CG2 4.24Å; T572-V574 PolarHBondContact O-N 3.46Å; V574-I576 HydrophobicContact CG1-CG1 4.38Å; V574-L592 PolarHBondContact N-O 2.97Å; V574-L592 PolarHBondContact O-N 3.14Å; V574-L594 HydrophobicContact CG2-CD1 3.72Å; V574-L594 HydrophobicContact CG2-CG 3.98Å; V574-L600 HydrophobicContact CG2-CD1 4.45Å
575Y58.4Low56.4Low94 Ų9483.5 Ų83.537%0.36945%0.452SS..EExtended strand (participates in β ladder)trans-104.4127.8176.6-176.6-103.4000110.6Q577 M591Y575-Q577 HydrophobicContact CE1-CB 4.45Å; Y575-Q577 VanDerWaalsContact CE1-OE1 3.26Å; Y575-Q577 PolarHBondContact OH-OE1 2.89Å; Y575-Q577 VanDerWaalsContact OH-OE1 3.07Å; Y575-M591 HydrophobicContact CD2-CB 4.44Å
576I67.8Low55.9Low22 Ų2281 Ų8111%0.11345%0.445CS..EExtended strand (participates in β ladder)trans-115.1102.8-176.6-62.5179.6000108.1V574 L578 G589 L590 L592 I629 V633V574-I576 HydrophobicContact CG1-CG1 4.38Å; I576-L578 HydrophobicContact CG2-CD2 4.15Å; I576-G589 CarbonylContact O-C 3.35Å; I576-G589 WeakPolarHBondContact O-CA 3.16Å; I576-L590 HydrophobicContact CB-CB 4.33Å; I576-L590 PolarHBondContact N-O 3.11Å; I576-L590 PolarHBondContact O-N 3.46Å; I576-L592 HydrophobicContact CD1-CD1 3.7Å; I576-L592 HydrophobicContact CD1-CG 4.43Å; I576-I629 HydrophobicContact CD1-CD1 4.49Å; I576-I629 HydrophobicContact CG2-CD1 4.22Å; I576-V633 HydrophobicContact CG2-CG1 3.88Å; I576-V633 HydrophobicContact CG2-CG2 4.1Å
577Q53.2Low55.6Low23 Ų2384.2 Ų84.211%0.10747%0.467CS..EExtended strand (participates in β ladder)trans-69.1132.2170.7-168.474.4-16.700109.5Y575Y575-Q577 HydrophobicContact CE1-CB 4.45Å; Y575-Q577 VanDerWaalsContact CE1-OE1 3.26Å; Y575-Q577 PolarHBondContact OH-OE1 2.89Å; Y575-Q577 VanDerWaalsContact OH-OE1 3.07Å
578L53.8Low54.9Low65 Ų6588 Ų8834%0.3448%0.48SS..  trans-103.892.4174.3-65.2-179.8000109.9I576 H580 E588 L590I576-L578 HydrophobicContact CG2-CD2 4.15Å; L578-H580 PolarHBondContact O-N 3.39Å; L578-E588 PolarHBondContact N-O 2.89Å; L578-L590 HydrophobicContact CD1-CD1 4.45Å
579D45.8Very low54.5Low59 Ų5989.3 Ų89.332%0.31649%0.494SS..  trans-63.7125.2176.7-70.8-29.7000110.6
580H47.2Very low54.5Low134 Ų13486.9 Ų86.962%0.6248%0.481SS*.  trans-100.4125177.8-133.1-83.2000109.2L578 G582L578-H580 PolarHBondContact O-N 3.39Å; H580-G582 VanDerWaalsContact C-N 3.25Å; H580-G582 PolarHBondContact O-N 2.8Å
581E42.8Very low54.3Low176 Ų17688.8 Ų88.882%0.82249%0.485SS*.SBendtrans-67.780.8174.1-74.4-83.5148.500110
582G41.4Very low54.4Low42 Ų4286.8 Ų86.843%0.43347%0.474SS..SBendtrans178.1153.7-175.900000112.3H580 S584H580-G582 VanDerWaalsContact C-N 3.25Å; H580-G582 PolarHBondContact O-N 2.8Å; G582-S584 PolarHBondContact O-N 2.86Å
583H42.1Very low54.8Low217 Ų21788.5 Ų88.5100%1.00549%0.485SS*.SBendtrans-79.948.1-174.9-74.153.8000113.3
584S40.5Very low55.6Low68 Ų6884.8 Ų84.848%0.47646%0.46SS..SBendtrans-120.7141.2178.651.50000110.6G582G582-S584 PolarHBondContact O-N 2.86Å
585P46.7Very low55.7Low102 Ų10286.8 Ų86.866%0.66247%0.474SS*.  trans-60.6134.8177.826.3-34.3000110.8T587P585-T587 PolarHBondContact O-N 3.38Å; P585-T587 PolarHBondContact O-OG1 3.07Å
586P46.7Very low56.3Low70 Ų7085.5 Ų85.546%0.45548%0.477SS..  trans-73.2103-173.930.2-35.1000109.8
587T51.1Low56.6Low122 Ų12286.3 Ų86.375%0.74849%0.49SS*.  trans-104.9-3.2-169.7-45.10000112.6P585P585-T587 PolarHBondContact O-N 3.38Å; P585-T587 PolarHBondContact O-OG1 3.07Å
588E50.3Low57.7Low145 Ų14585.4 Ų85.468%0.67849%0.486SS*.  trans-124.8127.9-175.5-63.9-174.2-175.300111.6L578L578-E588 PolarHBondContact N-O 2.89Å
589G58.1Low58.5Low32 Ų3283.2 Ų83.233%0.3348%0.476SS..EExtended strand (participates in β ladder)trans-153.4147.6176.100000110.8I576I576-G589 CarbonylContact O-C 3.35Å; I576-G589 WeakPolarHBondContact O-CA 3.16Å
590L63.6Low59.6Low91 Ų9181.8 Ų81.848%0.47647%0.468SS..EExtended strand (participates in β ladder)trans-96.8127.5-177.4-91.5162.7000110.7I576 L578I576-L590 HydrophobicContact CB-CB 4.33Å; I576-L590 PolarHBondContact N-O 3.11Å; I576-L590 PolarHBondContact O-N 3.46Å; L578-L590 HydrophobicContact CD1-CD1 4.45Å
591M64.4Low60.7Low141 Ų14177.6 Ų77.670%0.69545%0.45SS*.EExtended strand (participates in β ladder)trans-99.4122169-172.4168.565.500109.4Y575Y575-M591 HydrophobicContact CD2-CB 4.44Å
592L70.7Confident61.7Low63 Ų6372 Ų7233%0.3342%0.424SS..EExtended strand (participates in β ladder)trans-119.9136.8178.8-59.2180000109.3P573 V574 I576P573-L592 CarbonylContact C-O 3.55Å; P573-L592 WeakPolarHBondContact CA-O 3.48Å; V574-L592 PolarHBondContact N-O 2.97Å; V574-L592 PolarHBondContact O-N 3.14Å; I576-L592 HydrophobicContact CD1-CD1 3.7Å; I576-L592 HydrophobicContact CD1-CG 4.43Å
593T75.6Confident62.3Low81 Ų8171.5 Ų71.550%0.49741%0.412SS..EExtended strand (participates in β ladder)trans-99116.4169.4-54.90000108.5L571L571-T593 HydrophobicContact CB-CG2 4.21Å; L571-T593 HydrophobicContact CD2-CG2 3.99Å
594L78.6Confident62.8Low12 Ų1265.4 Ų65.46%0.06339%0.387CS..EExtended strand (participates in β ladder)trans-86.9128.4179.4-58.6-172.3000110.3T568 L571 T572 V574 T598 L600T568-L594 HydrophobicContact CG2-CB 4.35Å; T568-L594 HydrophobicContact CG2-CD1 4.3Å; L571-L594 WeakPolarHBondContact CA-O 3.49Å; T572-L594 PolarHBondContact N-O 2.69Å; T572-L594 PolarHBondContact O-N 3.27Å; V574-L594 HydrophobicContact CG2-CD1 3.72Å; V574-L594 HydrophobicContact CG2-CG 3.98Å; L594-T598 HydrophobicContact CB-CG2 4.34Å; L594-T598 HydrophobicContact CD1-CG2 4.25Å; L594-T598 HydrophobicContact CD2-CG2 4.37Å; L594-L600 HydrophobicContact CD1-CD1 3.79Å; L594-L600 HydrophobicContact CD1-CD2 4.37Å; L594-L600 HydrophobicContact CD1-CG 3.96Å
595P70.3Confident63.2Low64 Ų6466.6 Ų66.642%0.41639%0.388SS..PPolyproline II helixtrans-63.7157172.8-22.933.9000113T568 T598T568-P595 PolarHBondContact OG1-O 2.99Å; P595-T598 VanDerWaalsContact O-CB 3.31Å; P595-T598 WeakPolarHBondContact O-CB 3.42Å; P595-T598 PolarHBondContact O-N 3.3Å; P595-T598 PolarHBondContact O-OG1 3Å
596P72.3Confident62.8Low66 Ų6669 Ų6943%0.42940%0.396SS..THydrogen-bonded Turntrans-47.9143.6164.5-28.236.3000112.8T568 T598 N621T568-P596 CarbonylContact O-C 3.47Å; T568-P596 VanDerWaalsContact O-CA 3.23Å; T568-P596 WeakPolarHBondContact O-CA 3.5Å; P596-T598 VanDerWaalsContact C-N 3.31Å; P596-T598 PolarHBondContact O-N 3.5Å; P596-N621 PolarHBondContact O-ND2 2.86Å
597G74.6Confident62.7Low39 Ų3972.9 Ų72.940%0.40241%0.407SS..THydrogen-bonded Turntrans76.410.4-177.400000115.3T568T568-G597 PolarHBondContact O-N 3.25Å
598T75.2Confident62Low4 Ų475 Ų753%0.02541%0.412CS..EExtended strand (participates in β ladder)trans-88.1124.3174.6-50.60000110.5T567 T568 L594 P595 P596 I619 T620 N621T567-T598 WeakPolarHBondContact CA-O 3.42Å; T568-T598 PolarHBondContact N-O 2.7Å; T568-T598 PolarHBondContact OG1-O 2.78Å; L594-T598 HydrophobicContact CB-CG2 4.34Å; L594-T598 HydrophobicContact CD1-CG2 4.25Å; L594-T598 HydrophobicContact CD2-CG2 4.37Å; P595-T598 VanDerWaalsContact O-CB 3.31Å; P595-T598 WeakPolarHBondContact O-CB 3.42Å; P595-T598 PolarHBondContact O-N 3.3Å; P595-T598 PolarHBondContact O-OG1 3Å; P596-T598 VanDerWaalsContact C-N 3.31Å; P596-T598 PolarHBondContact O-N 3.5Å; T598-I619 HydrophobicContact CG2-CG2 3.54Å; T598-T620 CarbonylContact C-O 3.58Å; T598-T620 WeakPolarHBondContact CA-O 3.06Å; T598-N621 HydrophobicContact CG2-CB 4.43Å; T598-N621 PolarHBondContact OG1-ND2 3.48Å
599T71.5Confident61.4Low19 Ų1976.8 Ų76.812%0.11742%0.42CS..EExtended strand (participates in β ladder)trans-101.8129.6172.9-48.50000111M565 L566 T567 I601 T620M565-T599 HydrophobicContact CB-CG2 4.13Å; M565-T599 HydrophobicContact CE-CG2 3.85Å; L566-T599 CarbonylContact O-C 3.4Å; L566-T599 WeakPolarHBondContact O-CA 3.41Å; T567-T599 WeakPolarHBondContact OG1-CG2 3.45Å; T567-T599 PolarHBondContact OG1-OG1 3.07Å; T599-I601 HydrophobicContact CG2-CG1 4.1Å; T599-T620 PolarHBondContact N-O 2.86Å; T599-T620 PolarHBondContact O-N 3.3Å
600L67.7Low60.5Low29 Ų2985.8 Ų85.815%0.15244%0.444CS..EExtended strand (participates in β ladder)trans-91.8130.2164-75.9165.6000109.4M565 L566 V574 L594 I619M565-L600 WeakPolarHBondContact CA-O 3.41Å; L566-L600 HydrophobicContact CB-CB 4.47Å; L566-L600 PolarHBondContact N-O 2.92Å; L566-L600 PolarHBondContact O-N 2.73Å; V574-L600 HydrophobicContact CG2-CD1 4.45Å; L594-L600 HydrophobicContact CD1-CD1 3.79Å; L594-L600 HydrophobicContact CD1-CD2 4.37Å; L594-L600 HydrophobicContact CD1-CG 3.96Å; L600-I619 HydrophobicContact CD2-CG1 3.93Å
601I70.3Confident59.2Low47 Ų4787.1 Ų87.124%0.24146%0.461CS..EExtended strand (participates in β ladder)trans-122.2119.1175.6-48.5176.5000108.4M565 T599 F617 Y618 T620M565-I601 HydrophobicContact CE-CD1 4.37Å; M565-I601 HydrophobicContact CE-CG1 4.45Å; M565-I601 HydrophobicContact CG-CG1 4.3Å; M565-I601 HydrophobicContact CG-CG2 4.41Å; T599-I601 HydrophobicContact CG2-CG1 4.1Å; I601-F617 WeakPolarHBondContact O-CA 3.19Å; I601-Y618 PolarHBondContact N-O 3.41Å; I601-Y618 PolarHBondContact O-N 2.89Å; I601-T620 HydrophobicContact CD1-CG2 4.3Å
602Q63.6Low58.3Low59 Ų5985.4 Ų85.428%0.27645%0.454SS..EExtended strand (participates in β ladder)trans-91.8132.9171-170.2-177.7-67.400110.5H563 N604 F617H563-Q602 PolarHBondContact ND1-O 3.35Å; Q602-N604 PolarHBondContact NE2-OD1 3.18Å; Q602-F617 HydrophobicContact CB-CD1 4.13Å; Q602-F617 HydrophobicContact CB-CE1 3.92Å; Q602-F617 HydrophobicContact CG-CD1 4.16Å; Q602-F617 HydrophobicContact CG-CE1 3.66Å; Q602-F617 HydrophobicContact CG-CZ 3.96Å
603T55.2Low56.9Low30 Ų3087.8 Ų87.818%0.18447%0.473CS..EExtended strand (participates in β ladder)trans-119.8119170.859.30000110.2R616 Y618T603-R616 PolarHBondContact N-O 3.08Å; T603-R616 PolarHBondContact O-N 3.46Å; T603-R616 VanDerWaalsContact O-N 3.1Å; T603-R616 PolarHBondContact OG1-O 2.95Å; T603-Y618 HydrophobicContact CG2-CD2 4.11Å; T603-Y618 HydrophobicContact CG2-CE2 3.88Å
604N51.7Low55.5Low89 Ų8986.8 Ų86.848%0.47647%0.469SS..EExtended strand (participates in β ladder)trans-81.9121.9164.8-63.3-9.8000107.3Q602 D606Q602-N604 PolarHBondContact NE2-OD1 3.18Å; N604-D606 PolarHBondContact O-N 2.65Å
605N48.9Very low54.2Low94 Ų9489.5 Ų89.550%0.50348%0.481SS..  trans-100.285.7-175.1-157.780.3000110.3H607N605-H607 VanDerWaalsContact C-N 3.3Å; N605-H607 PolarHBondContact O-N 2.96Å
606D38.6Very low53.4Low153 Ų15391.1 Ų91.182%0.81848%0.478SS*.  trans-67.786179.6-76.1-34.4000111.2N604N604-D606 PolarHBondContact O-N 2.65Å
607H43.5Very low52.7Low151 Ų15189.3 Ų89.370%0.69946%0.464SS*.  trans-110.998.6169.9-87.115000110.4N605 H609N605-H607 VanDerWaalsContact C-N 3.3Å; N605-H607 PolarHBondContact O-N 2.96Å; H607-H609 PolarHBondContact O-N 3.33Å
608I37.7Very low52Low166 Ų16690.6 Ų90.685%0.85146%0.457SS*.THydrogen-bonded Turntrans-39.9135.3164.2-56.4169.6000109.2
609H36.9Very low51.7Low182 Ų18291.9 Ų91.984%0.84346%0.463SS*.THydrogen-bonded Turntrans87.722.9167.3-129.2-70.7000120H607H607-H609 PolarHBondContact O-N 3.33Å
610R38.7Very low51.5Low222 Ų22292.2 Ų92.284%0.83847%0.465SS*.SBendtrans-144.2158.1151.1-107.5173.1-168.3-137.40.9112.4I612R610-I612 PolarHBondContact O-N 3.36Å
611S37.4Very low50.9Low119 Ų11994.6 Ų94.683%0.83248%0.478SS*.SBendtrans-94.418.9-153.358.10000117.2
612I44.8Very low50.2Low105 Ų10594.6 Ų94.654%0.53849%0.49SS..SBendtrans-139.5123179.1-54.5179.2000109.6R610 S614R610-I612 PolarHBondContact O-N 3.36Å; I612-S614 PolarHBondContact O-N 2.92Å
613P42.6Very low49.5Very low113 Ų113100.3 Ų100.373%0.73452%0.522SS*.  trans-79.299.2178.631.1-33.5000111.6K615P613-K615 PolarHBondContact O-N 3.32Å; P613-K615 VanDerWaalsContact O-N 3.15Å
614S45.7Very low49Very low60 Ų60108.5 Ų108.542%0.4255%0.55SS.*  trans-7797.9177-63.60000111.9I612I612-S614 PolarHBondContact O-N 2.92Å
615K51.8Low48.8Very low69 Ų69110 Ų11030%0.356%0.557SS.*EExtended strand (participates in β ladder)trans-61.1133.9162.7-65.6-174.3176.8-173.80109.3P613 F617P613-K615 PolarHBondContact O-N 3.32Å; P613-K615 VanDerWaalsContact O-N 3.15Å; K615-F617 HydrophobicContact CB-CE2 3.95Å; K615-F617 HydrophobicContact CB-CZ 4.39Å; K615-F617 HydrophobicContact CD-CZ 4.39Å
616R52.7Low48.6Very low98 Ų98110.2 Ų110.237%0.3756%0.557SS.*EExtended strand (participates in β ladder)trans-120.5146.3169.3175.7178.3-72.6173.5-2109.8T603 Y618 S630T603-R616 PolarHBondContact N-O 3.08Å; T603-R616 PolarHBondContact O-N 3.46Å; T603-R616 VanDerWaalsContact O-N 3.1Å; T603-R616 PolarHBondContact OG1-O 2.95Å; R616-Y618 VanDerWaalsContact CD-CZ 3.49Å; R616-Y618 VanDerWaalsContact CD-OH 3.27Å; R616-Y618 WeakPolarHBondContact CD-OH 3.33Å; R616-Y618 HydrophobicContact CG-CD2 4.38Å; R616-Y618 HydrophobicContact CG-CE2 3.82Å; R616-Y618 PolarHBondContact NH1-OH 3.09Å; R616-S630 PolarHBondContact NH2-OG 3.45Å
617F57.8Low48.8Very low28 Ų28108.4 Ų108.412%0.12355%0.553CS.*EExtended strand (participates in β ladder)trans-120.1144.4178.6-62.6-94.2000110.1I601 Q602 K615 A628 V633I601-F617 WeakPolarHBondContact O-CA 3.19Å; Q602-F617 HydrophobicContact CB-CD1 4.13Å; Q602-F617 HydrophobicContact CB-CE1 3.92Å; Q602-F617 HydrophobicContact CG-CD1 4.16Å; Q602-F617 HydrophobicContact CG-CE1 3.66Å; Q602-F617 HydrophobicContact CG-CZ 3.96Å; K615-F617 HydrophobicContact CB-CE2 3.95Å; K615-F617 HydrophobicContact CB-CZ 4.39Å; K615-F617 HydrophobicContact CD-CZ 4.39Å; F617-A628 VanDerWaalsContact O-O 3.11Å; F617-V633 HydrophobicContact CD2-CB 4.29Å; F617-V633 HydrophobicContact CD2-CG2 4.32Å; F617-V633 HydrophobicContact CE2-CB 3.69Å; F617-V633 HydrophobicContact CE2-CG2 4.17Å; F617-V633 HydrophobicContact CZ-CB 4.27Å
618Y60.2Low49Very low65 Ų65102.6 Ų102.626%0.25553%0.531SS..EExtended strand (participates in β ladder)trans-121.1134.3171.3-63.8-95.8000108.8I601 T603 R616 I625I601-Y618 PolarHBondContact N-O 3.41Å; I601-Y618 PolarHBondContact O-N 2.89Å; T603-Y618 HydrophobicContact CG2-CD2 4.11Å; T603-Y618 HydrophobicContact CG2-CE2 3.88Å; R616-Y618 VanDerWaalsContact CD-CZ 3.49Å; R616-Y618 VanDerWaalsContact CD-OH 3.27Å; R616-Y618 WeakPolarHBondContact CD-OH 3.33Å; R616-Y618 HydrophobicContact CG-CD2 4.38Å; R616-Y618 HydrophobicContact CG-CE2 3.82Å; R616-Y618 PolarHBondContact NH1-OH 3.09Å; Y618-I625 HydrophobicContact CD1-CG2 3.7Å; Y618-I625 HydrophobicContact CE1-CG2 4.46Å
619I69.2Low49.4Very low31 Ų3197.9 Ų97.916%0.15951%0.507CS..EExtended strand (participates in β ladder)trans-107.1127.2172.8-51.5179.1000107T598 L600 I626T598-I619 HydrophobicContact CG2-CG2 3.54Å; L600-I619 HydrophobicContact CD2-CG1 3.93Å; I619-I626 PolarHBondContact O-N 2.94Å
620T66Low49.3Very low26 Ų2693 Ų9316%0.1649%0.494CS..EExtended strand (participates in β ladder)trans-134.7136.5176.4-168.80000110.2T598 T599 I601 G622 R624T598-T620 CarbonylContact C-O 3.58Å; T598-T620 WeakPolarHBondContact CA-O 3.06Å; T599-T620 PolarHBondContact N-O 2.86Å; T599-T620 PolarHBondContact O-N 3.3Å; I601-T620 HydrophobicContact CD1-CG2 4.3Å; T620-G622 PolarHBondContact OG1-O 2.79Å; T620-R624 WeakPolarHBondContact CA-O 3.43Å; T620-R624 PolarHBondContact OG1-O 3.03Å
621N54.8Low49.5Very low79 Ų7988.7 Ų88.742%0.42248%0.481SS..EExtended strand (participates in β ladder)trans-135.3101.3170.8-173.6-44.7000105.9P596 T598P596-N621 PolarHBondContact O-ND2 2.86Å; T598-N621 HydrophobicContact CG2-CB 4.43Å; T598-N621 PolarHBondContact OG1-ND2 3.48Å
622G55.6Low49.6Very low48 Ų4885.3 Ų85.350%0.49546%0.457SS..SBendtrans57.4-149.5-162.600000113.1T620 R624T620-G622 PolarHBondContact OG1-O 2.79Å; G622-R624 PolarHBondContact O-N 2.98Å
623N49.5Very low49.1Very low178 Ų17880.8 Ų80.895%0.95244%0.435SS*.SBendtrans-70.723.7-167.5-59.92.4000115.9
624R45.5Very low48.8Very low203 Ų20380.9 Ų80.977%0.76643%0.425SS*.  trans-124.6110.1177.2-67.2-175.6-177.8-1311.8110.4T620 G622T620-R624 WeakPolarHBondContact CA-O 3.43Å; T620-R624 PolarHBondContact OG1-O 3.03Å; G622-R624 PolarHBondContact O-N 2.98Å
625I46.3Very low48.3Very low119 Ų11983.1 Ų83.161%0.6143%0.432SS*.EExtended strand (participates in β ladder)trans-85.4123.4167.4-58.8172.9000108.2Y618 P627Y618-I625 HydrophobicContact CD1-CG2 3.7Å; Y618-I625 HydrophobicContact CE1-CG2 4.46Å; I625-P627 WeakPolarHBondContact O-CD 3.41Å
626I45.4Very low47.5Very low99 Ų9985 Ų8551%0.50844%0.444SS..EExtended strand (participates in β ladder)trans-95.4111.6171.1-55.5178.4000108.2I619 A628I619-I626 PolarHBondContact O-N 2.94Å; I626-A628 PolarHBondContact O-N 3.27Å; I626-A628 VanDerWaalsContact O-N 3.13Å
627P43.8Very low46.5Very low115 Ų11587.6 Ų87.675%0.74746%0.46SS*.EExtended strand (participates in β ladder)trans-75.2101.8175.930-33000109.7I625I625-P627 WeakPolarHBondContact O-CD 3.41Å
628A46.3Very low45.4Very low29 Ų2992 Ų9224%0.2449%0.492CS..EExtended strand (participates in β ladder)trans-120.4136.2-172.400000112.4F617 I626F617-A628 VanDerWaalsContact O-O 3.11Å; I626-A628 PolarHBondContact O-N 3.27Å; I626-A628 VanDerWaalsContact O-N 3.13Å
629I46Very low44.1Very low67 Ų6796.7 Ų96.734%0.34452%0.52SS..  trans55.9102.2163.7-49.8172.3000115I576 K631 V633I576-I629 HydrophobicContact CD1-CD1 4.49Å; I576-I629 HydrophobicContact CG2-CD1 4.22Å; I629-K631 VanDerWaalsContact C-N 3.29Å; I629-K631 HydrophobicContact CG2-CB 4.14Å; I629-K631 PolarHBondContact O-N 2.78Å; I629-V633 HydrophobicContact CG2-CG2 4.23Å
630S36.4Very low42.1Very low80 Ų80105.6 Ų105.656%0.55956%0.558SS**SBendtrans-94.441.8173.9-153.50000112.6R616R616-S630 PolarHBondContact NH2-OG 3.45Å
631K41.3Very low40.5Very low132 Ų132110.9 Ų110.957%0.57459%0.59SS**SBendtrans-135.3149.9177.4-70.9-171.7174.3-1710109.3I629 V633I629-K631 VanDerWaalsContact C-N 3.29Å; I629-K631 HydrophobicContact CG2-CB 4.14Å; I629-K631 PolarHBondContact O-N 2.78Å; K631-V633 PolarHBondContact O-N 3.19Å
632S39.6Very low39.4Very low47 Ų47115.2 Ų115.233%0.32961%0.61SS.*  trans-61131175.147.10000111.8
633V35.9Very low38.2Very low11 Ų11119.6 Ų119.67%0.06762%0.622CS.*  trans-116.2141.3173.6178.40000108.9I576 F617 I629 K631I576-V633 HydrophobicContact CG2-CG1 3.88Å; I576-V633 HydrophobicContact CG2-CG2 4.1Å; F617-V633 HydrophobicContact CD2-CB 4.29Å; F617-V633 HydrophobicContact CD2-CG2 4.32Å; F617-V633 HydrophobicContact CE2-CB 3.69Å; F617-V633 HydrophobicContact CE2-CG2 4.17Å; F617-V633 HydrophobicContact CZ-CB 4.27Å; I629-V633 HydrophobicContact CG2-CG2 4.23Å; K631-V633 PolarHBondContact O-N 3.19Å
634Q35.8Very low37.4Very low115 Ų115116.9 Ų116.954%0.53761%0.612SS.*  trans-109.7140.6163.3-58.3-172.535.100109.3
635I35.8Very low36.8Very low107 Ų107113.3 Ų113.355%0.54961%0.606SS.*  trans-103.9127.3175.9-58.6175.8000107.4
636L34.8Very low36.2Very low107 Ų107115.2 Ų115.256%0.5661%0.612SS**  trans-123.6150-179.6-73.5168.4000110.5
637Q31.9Very low35.7Very low153 Ų153118.6 Ų118.672%0.71563%0.625SS**PPolyproline II helixtrans-67.4134.8-173.4-67.4-177.8-2600112.3
638P34.4Very low35.3Very low120 Ų120120.4 Ų120.478%0.77962%0.624SS**PPolyproline II helixtrans-72.2134.4175.529.2-33.8000111.6
639L32.2Very low34.7Very low164 Ų164127.8 Ų127.886%0.85965%0.653SS**PPolyproline II helixtrans-70.1143173.1-70.3169000111V641L639-V641 PolarHBondContact O-N 3.39Å
640K28.3Very low34.1Very low218 Ų218132.1 Ų132.195%0.94867%0.671SS**  trans-64.1104.4174.9-78-175.7173.7-179.20111.3
641V32.4Very low34Very low137 Ų137136.8 Ų136.883%0.8368%0.684SS**  trans-96.3132.5161.6-177.10000108.2L639L639-V641 PolarHBondContact O-N 3.39Å
642M30.2Very low33.5Very low170 Ų170136 Ų13684%0.83769%0.686SS**  trans-98.4115.4-167.6-169.3160.961.300110.9V644M642-V644 PolarHBondContact O-N 2.93Å
643N31.8Very low33.5Very low141 Ų141139.2 Ų139.275%0.75471%0.706SS**  trans-64.6132-179.1-97.5-7.1000112.2
644V32.1Very low33.3Very low121 Ų121145.1 Ų145.173%0.73374%0.737SS**  trans-130.890.3165.6-178.10000108M642M642-V644 PolarHBondContact O-N 2.93Å
645I33.4Very low33.4Very low127 Ų127148 Ų14865%0.65175%0.75SS**  trans-103108.5172.7-61.6177.7000107.8H647I645-H647 PolarHBondContact O-N 3Å
646H32.8Very low33.4Very low159 Ų159147.2 Ų147.274%0.73675%0.754SS**  trans-87.784.1-179.9-128.8-82.6000110.2H648H646-H648 PolarHBondContact O-N 2.83Å
647H35.7Very low33.5Very low170 Ų170146.9 Ų146.979%0.78776%0.761SS**  trans-65.8124.8168.3-94.5-47.8000110I645I645-H647 PolarHBondContact O-N 3Å
648H34.3Very low33.8Very low153 Ų153144.7 Ų144.771%0.70876%0.762SS**  trans-121.481.9177.4-130.642.7000110.5H646H646-H648 PolarHBondContact O-N 2.83Å
649H34.6Very low33.9Very low184 Ų184143.5 Ų143.585%0.85276%0.757SS**  trans-93.298.1174.6-137.9-42.8000109.4H651H649-H651 PolarHBondContact O-N 3.25Å
650H32.2Very low34.1Very low158 Ų158141.9 Ų141.973%0.73175%0.754SS**  trans-74.4121.7175.3-120.9-77.3000110
651H35.4Very low34.6Very low179 Ų179136 Ų13683%0.82974%0.74SS**  trans-146142.9154.6-132.6-85.8000111.5H649H649-H651 PolarHBondContact O-N 3.25Å
652N30.4Very low34.8Very low116 Ų116134.4 Ų134.462%0.6274%0.735SS**  trans-106.4131.4-161.7179.521000112.6
653P39.1Very low35.2Very low114 Ų114131 Ų13174%0.7473%0.728SS**  trans-111105.8159.434.5-22.1000111.7
654N31.8Very low35.4Very low134 Ų134129.2 Ų129.272%0.71773%0.727SS**  trans-65.5131.9156.6-75.9-33.5000108.8
655H38Very low35.7Very low175 Ų175128.3 Ų128.381%0.8173%0.726SS**  -173.5146.1123.4-107.7-77.5000114
656S36.2Very low35.8Very low91 Ų91126.7 Ų126.764%0.63673%0.726SS**  trans-9.7145.7151.243.80000118.7
657S36.6Very low35.9Very low100 Ų100124.2 Ų124.270%0.69973%0.726SS**  cis-174.7171.68.741.70000112.5
658S37.3Very low35.8Very low107 Ų107120.9 Ų120.975%0.74873%0.728SS**  trans64.9145.4159.246.80000118.2
659S37.3Very low35.8Very low95 Ų95118.1 Ų118.166%0.66473%0.732SS**  cis-171.7152.6-12.746.40000110.5
660T36.5Very low35.8Very low130 Ų130115.5 Ų115.580%0.79873%0.729SS**  trans60.1145.4155.348.50000119
661S37.9Very low35.8Very low94 Ų94112.6 Ų112.666%0.65773%0.732SS**  cis-170.1161.5-1047.30000110
662S37.8Very low35.8Very low105 Ų105108.8 Ų108.873%0.73473%0.732SS**  trans57.1146.8148.4560000120.9
663S37.2Very low36.2Very low98 Ų98108.1 Ų108.169%0.68574%0.743SS**  cis-178.1163.2-22.1520000107.7
664S37.4Very low36Very low104 Ų104107.1 Ų107.173%0.72774%0.744SS**  trans56.7147.4148.853.50000121.3
665S37.2Very low36.3Very low101 Ų101107.6 Ų107.671%0.70675%0.751SS**  cis-172.3159.9-18.4530000110.9
666S35.8Very low36.5Very low94 Ų94103.7 Ų103.766%0.65775%0.749SS**  trans59.1118.913865.50000123.1
667S35Very low36.5Very low106 Ų106108.7 Ų108.774%0.74176%0.755SS**  83106.7118.171.20000123.7
668A33.2Very low37Very low101 Ų101109.9 Ų109.984%0.83576%0.761SS**  88.6162.4107.900000123
669A34.8Very low36.9Very low94 Ų94110 Ų11078%0.77775%0.754SS**  trans83.5149.1160.100000120.7
670T33.7Very low37.2Very low130 Ų130111.3 Ų111.380%0.79876%0.759SS**  cis-165.4156.4-37.5-50.60000108.6
671A34Very low37Very low97 Ų97111.5 Ų111.580%0.80275%0.754SS**  trans69.6152.5160.300000117.1
672A35.3Very low36.7Very low98 Ų98115 Ų11581%0.8177%0.765SS**  cis-147.7-1683.100000108.9
673A37.4Very low36.1Very low103 Ų103119.7 Ų119.785%0.85177%0.768SS**  cis-150.1-113.65.800000112.4
674A36.6Very low36.2Very low92 Ų92120.3 Ų120.376%0.7677%0.772SS**  trans-156.6-168.3-175.800000108.6
675V36.9Very low35.6Very low144 Ų144119.5 Ų119.587%0.87376%0.764SS**  cis-157.9151.126.91780000110.1
676A42.8Very low35.1Very low94 Ų94122.4 Ų122.478%0.77777%0.77SS**  trans133.3149.2149.500000115
677Y35.3Very low34.7Very low195 Ų195125.7 Ų125.777%0.76578%0.777SS**  trans-131.8161.6-165.4-102.1-68.9000109.7D679Y677-D679 VanDerWaalsContact CE1-OD2 3.28Å; Y677-D679 WeakPolarHBondContact CE1-OD2 2.96Å
678P46.9Very low34.2Very low126 Ų126125 Ų12582%0.81877%0.772SS**  -138.7162.454.939.2-21.1000118.2
679D35.2Very low33.8Very low110 Ų110125.1 Ų125.159%0.58877%0.767SS**  trans-77.5165172.8-73.7-36.5000112.7Y677Y677-D679 VanDerWaalsContact CE1-OD2 3.28Å; Y677-D679 WeakPolarHBondContact CE1-OD2 2.96Å
680P44.1Very low33.5Very low121 Ų121125.9 Ų125.979%0.78677%0.767SS**  -127.3111.486.635.8-27.9000116.1
681I33.6Very low33.3Very low134 Ų134127.9 Ų127.969%0.68777%0.767SS**  trans67.283131.1-52.8160.6000116
682L30.6Very low33.2Very low168 Ų168129.5 Ų129.588%0.8876%0.762SS**  -54.7140.7127.9-78.8161.3000109.3
683Y26.3Very low32.8Very low203 Ų203131.5 Ų131.580%0.79676%0.758SS**  trans-161.5128.6140.6-116.6-70.4000113P685Y683-P685 WeakPolarHBondContact O-CD 3.4Å
684S37.9Very low32.3Very low111 Ų111131.3 Ų131.378%0.77675%0.75SS**  trans-113.194.5162.857.20000109.8
685P25.1Very low31.7Very low87 Ų87132.3 Ų132.357%0.56575%0.752SS**  trans-91.7145.3161.135.2-28.2000109Y683Y683-P685 WeakPolarHBondContact O-CD 3.4Å
686I27.7Very low31.3Very low163 Ų163131 Ų13184%0.83675%0.749SS**  53.954.256.9-42.6179.6000112.1
687M26.1Very low30.5Very low163 Ų163132.3 Ų132.380%0.80375%0.753SS**  trans-135.8127142-65.7-160.276.700106.7
688S24.8Very low30Very low91 Ų91127.7 Ų127.764%0.63675%0.748SS**  cis81.9125.647.4-62.20000112.9
689S25.4Very low28.9Very low103 Ų103132.3 Ų132.372%0.7275%0.751SS**  trans64.4122.4175190000115
690S27.5Very low28.4Very low111 Ų111131.3 Ų131.378%0.77675%0.753SS**  62.1114.982.7-50.60000110.3
691E29.3Very low27.5Very low171 Ų171129 Ų12980%0.79974%0.739SS**  -174.9147.573.1-92.7-164.4177.900109.1
692L31.9Very low27.1Very low132 Ų132124.1 Ų124.169%0.69171%0.714SS**SBendcis-147.6152.7-9.4-66.2169.9000106
693L28Very low27Very low139 Ų139118.3 Ų118.373%0.72869%0.687SS**  cis-156.6131.2-13.6-105.8168.1000107.9
694S25.7Very low27.5Very low100 Ų100113.5 Ų113.570%0.69968%0.683SS**  trans39.4146.5143.3-51.90000123.3
695S25.9Very low27.6Very low112 Ų112113.1 Ų113.178%0.78368%0.678SS**  cis-171.9146.9-15.5-96.80000109.4
696S28.4Very low27.9Very low116 Ų116116 Ų11681%0.81169%0.689SS**  trans-73.9136.5159.6-45.90000110
697S25.7Very low28Very low123 Ų123112.6 Ų112.686%0.8668%0.68SS**  trans179134.8139.8-84.50000115.6
698S24.8Very low28.2Very low97 Ų97112.1 Ų112.168%0.67868%0.679SS**  trans-35.7153.2157.7-40.20000119
699Y23.8Very low28.7Very low223 Ų223113.5 Ų113.588%0.87568%0.683SS**  trans80146.9159.1-62.5-73.1000121.1
700S24.6Very low29Very low90 Ų90113.7 Ų113.763%0.62969%0.685SS**  trans82.266.8154-60.70000122.4
701C23.9Very low29.7Very low71 Ų71114 Ų11448%0.4868%0.684SS.*  trans24.1151.6132.911.80000124.4S967 Y968 N969C701-S967 VanDerWaalsContact CB-O 3.3Å; C701-S967 WeakPolarHBondContact CB-O 3.49Å; C701-S967 PolarHBondContact SG-O 3.44Å; C701-Y968 CarbonylContact O-C 3.56Å; C701-Y968 WeakPolarHBondContact O-CA 3.28Å; C701-Y968 PolarHBondContact O-N 3.07Å; C701-Y968 VanDerWaalsContact O-N 3.12Å; C701-N969 PolarHBondContact O-N 2.8Å
702N25.5Very low30.2Very low33 Ų33113.9 Ų113.918%0.17669%0.688CS.*  trans106.4144.7149.6-144.332.4000122.8N966 S967 Y968 N969N702-N966 VanDerWaalsContact OD1-CB 3.22Å; N702-N966 WeakPolarHBondContact OD1-CB 3.05Å; N702-N966 PolarHBondContact OD1-ND2 3.22Å; N702-N966 PolarHBondContact OD1-OD1 2.92Å; N702-S967 VanDerWaalsContact CB-CA 3.41Å; N702-S967 PolarHBondContact OD1-N 3.28Å; N702-Y968 HydrophobicContact CB-CG 4.5Å; N702-Y968 WeakPolarHBondContact ND2-CD2 3.22Å; N702-Y968 WeakPolarHBondContact ND2-CE2 3.3Å; N702-N969 HydrophobicContact CB-CB 4.43Å
703S29.5Very low30.4Very low45 Ų45112.8 Ų112.832%0.31569%0.691SS.*  trans6190.9149.3-75.20000120.9
704S35.3Very low31Very low102 Ų102109.1 Ų109.171%0.71369%0.687SS**  25.7145.395.4-51.80000118.4
705P41.3Very low31.4Very low103 Ų103111.8 Ų111.867%0.66969%0.694SS**  -154.1177.551.243.6-23.6000119.8
706N30.5Very low32Very low149 Ų149113.3 Ų113.380%0.79770%0.698SS**  trans75.5150.8159.9-57.6-29.2000117.3
707S30.5Very low32.1Very low91 Ų91116.1 Ų116.164%0.63670%0.696SS**  cis-156.6157.516.3-147.70000114.5
708I29.4Very low32.6Very low152 Ų152118.4 Ų118.478%0.77970%0.698SS**  trans65.1120.3146.6-78.7165.1000116.9
709V35Very low33Very low121 Ų121118.3 Ų118.373%0.73370%0.695SS**  cis-146.4116.99.91770000108.2
710S32.3Very low33.4Very low107 Ų107115.1 Ų115.175%0.74869%0.69SS**  90.5143.980.2-48.60000116.8
711P43.4Very low34Very low117 Ų117119.3 Ų119.376%0.7670%0.699SS**  trans-134.5-176.2-155.342.7-24.1000116.5
712L38.4Very low34.4Very low168 Ų168122.6 Ų122.688%0.8871%0.707SS**  trans-167149.8157.2-89.8125.7000109.9
713S37.5Very low34.7Very low109 Ų109126 Ų12676%0.76273%0.729SS**  cis-172.6155.5-28.2-93.10000110
714G39.3Very low34.9Very low63 Ų63131 Ų13165%0.64975%0.747SS**  trans9398169.100000114.7
715D33.3Very low34.7Very low155 Ų155132.4 Ų132.483%0.82975%0.747SS**  83.4116.952.2-63.5-53.3000115.2
716V38.9Very low34.4Very low144 Ų144135.5 Ų135.587%0.87375%0.754SS**  -176145105.1152.70000111
717F31.3Very low34.6Very low175 Ų175133.4 Ų133.477%0.76875%0.748SS**  trans-85163.9-171.8-112.7-129.3000115.5P719F717-P719 HydrophobicContact CD1-CG 4.34Å; F717-P719 HydrophobicContact CE1-CG 4.38Å
718L35.3Very low34.4Very low172 Ų172137 Ų13790%0.90176%0.761SS**  -178.4132113.6-96.3170.8000113.3
719P33.5Very low34.6Very low95 Ų95135.1 Ų135.162%0.61776%0.761SS**  trans-124.1162.7-171.843.4-33.1000118F717F717-P719 HydrophobicContact CD1-CG 4.34Å; F717-P719 HydrophobicContact CE1-CG 4.38Å
720M32.8Very low34.2Very low156 Ų156140.9 Ų140.977%0.76877%0.771SS**  trans29.4133.6142.5-129.7-174.683.700124.5Q722M720-Q722 HydrophobicContact CE-CB 4.1Å; M720-Q722 HydrophobicContact CE-CG 4.3Å
721Q36.2Very low34.2Very low177 Ų177144.6 Ų144.683%0.82778%0.777SS**  trans-157.8112.4132.8-152.5161.8-000107.2
722Q32.5Very low33.6Very low140 Ų140147.9 Ų147.965%0.65478%0.782SS**  66135.174.6-145.6-178.5-1400112.9M720M720-Q722 HydrophobicContact CE-CB 4.1Å; M720-Q722 HydrophobicContact CE-CG 4.3Å
723V32.6Very low33.3Very low104 Ų104148.7 Ų148.763%0.6378%0.781SS**  cis-108.2-140.911.2-1440000111.6
724E33.7Very low32.8Very low150 Ų150149.1 Ų149.170%0.70178%0.784SS**  cis-143.1-142.69.9-16053.7-89.600111.6
725L31.9Very low32.3Very low133 Ų133151.5 Ų151.570%0.69679%0.791SS**  trans-130.3141.7-158.7-74.7165.9000115
726M33.1Very low32.2Very low167 Ų167149.5 Ų149.582%0.82379%0.788SS**  -171.2153117.7-94.5-64.9101.100110.2
727P35.4Very low31.7Very low105 Ų105151.2 Ų151.268%0.68279%0.789SS**  trans-98.6167.5-162.938.6-36.8000115.5
728N26.4Very low31.8Very low167 Ų167149.9 Ų149.989%0.89379%0.789SS**  trans-74.2138.1165.7-68.7-38.9000111.3
729S33.1Very low31.9Very low113 Ų113148.5 Ų148.579%0.7978%0.781SS**  trans-135.2101.2160.357.60000110
730Y26.8Very low31.9Very low241 Ų241153.6 Ų153.695%0.94579%0.79SS**  trans-72.1120.6158.4-109.8-102.3000107.2
731E33.1Very low32Very low185 Ų185153.3 Ų153.386%0.86479%0.786SS**  trans-142147.3161.1-153.8160.1-145.900110.7
732Q30.9Very low32Very low186 Ų186154.4 Ų154.487%0.86979%0.789SS**  trans-114.8100.6-155.7177.2-178-700109.6
733Q32.1Very low32.1Very low186 Ų186153.7 Ų153.787%0.86979%0.789SS**  trans-143.1130.8173-115.4159.477.100113.2
734S27.4Very low32.3Very low118 Ų118157.5 Ų157.583%0.82580%0.8SS**  trans-83.9119-169.6480000113
735S28.9Very low32.4Very low113 Ų113158.7 Ų158.779%0.7981%0.806SS**  trans-161.2112.7147.753.80000112.2
736C29.6Very low32.5Very low112 Ų112159.8 Ų159.876%0.75781%0.813SS**  trans168.6131.4136.554.20000108.6
737M29.5Very low32.5Very low181 Ų181160.8 Ų160.889%0.89282%0.815SS**  trans-145.245.8169.5-127-68.5178.200107.3
738D32.8Very low32.5Very low146 Ų146162.8 Ų162.878%0.78182%0.819SS**  trans-81.5135.8-179.3-65-71.8000109.8
739I37.9Very low32.6Very low143 Ų143161.4 Ų161.473%0.73381%0.812SS**  trans-80.1147.6-164.7-65.7167.2000109.7Q741I739-Q741 VanDerWaalsContact C-N 3.27Å; I739-Q741 PolarHBondContact O-N 2.98Å
740Y33.6Very low32.6Very low203 Ų203163.7 Ų163.780%0.79681%0.812SS**  trans-6484.9172.2-82.5-89.1000111.3
741Q35.3Very low32.7Very low149 Ų149157.9 Ų157.970%0.69681%0.806SS**  trans-89127.2168.5-169.3156-41.300109.2I739 D743I739-Q741 VanDerWaalsContact C-N 3.27Å; I739-Q741 PolarHBondContact O-N 2.98Å; Q741-D743 PolarHBondContact O-N 3.05Å
742F34.6Very low32.8Very low200 Ų200156.2 Ų156.288%0.87780%0.801SS**  trans-84.995.7177.2-93.8-97.9000109.6E744F742-E744 PolarHBondContact O-N 3.05Å
743D35.9Very low32.9Very low125 Ų125156 Ų15667%0.66880%0.8SS**  trans-81.9112.5171.4-70.5-25.8000110.6Q741 Q745Q741-D743 PolarHBondContact O-N 3.05Å; D743-Q745 PolarHBondContact O-N 3.17Å
744E35.8Very low33.2Very low184 Ų184154.9 Ų154.986%0.8680%0.795SS**SBendtrans-74.355.8178.8-67.6-166.8106.900113.1F742F742-E744 PolarHBondContact O-N 3.05Å
745Q35.7Very low33.8Very low175 Ų175158.5 Ų158.582%0.81880%0.799SS**  trans-138.717.1-175.1-108.5110.397.700116.4D743D743-Q745 PolarHBondContact O-N 3.17Å
746N34.9Very low34.4Very low156 Ų156158.6 Ų158.683%0.83479%0.794SS**  trans-116.384.1172.4-114.7-16.8000112.1
747Q33.7Very low34.7Very low188 Ų188157.2 Ų157.288%0.87980%0.799SS**  trans-77118.5156.2-70.2-179.5-4.100108.3
748L35.5Very low34.9Very low147 Ų147151.9 Ų151.977%0.7779%0.79SS**  trans-168.3110.5158.5-108155.8000111.3
749D28.5Very low35.2Very low139 Ų139154.4 Ų154.474%0.74380%0.797SS**  trans30.9101155.1-54.4-17.7000120.1
750M32Very low35Very low161 Ų161151.3 Ų151.379%0.79380%0.801SS**  trans-115.6109.8134.8-78.7-161.1-6000109.1I752M750-I752 PolarHBondContact O-N 3.33Å
751C29.9Very low35.2Very low119 Ų119145.3 Ų145.380%0.80480%0.801SS**  trans-66.9114.7170.3-58.70000109.8
752I34.4Very low35.1Very low150 Ų150148 Ų14877%0.76981%0.813SS**  trans-95.4108.6155.9-61.4177.2000105.4M750 E754M750-I752 PolarHBondContact O-N 3.33Å; I752-E754 PolarHBondContact O-N 2.99Å; I752-E754 VanDerWaalsContact O-N 3.13Å
753E33.4Very low35.2Very low181 Ų181141.8 Ų141.885%0.84681%0.805SS**  trans-75.497.6169-70.6-174.9158.900108.2
754E37.8Very low35.1Very low163 Ų163144.5 Ų144.576%0.76281%0.814SS**  trans-91.893.8171.2-161.6173.3-143.200108.4I752 V756I752-E754 PolarHBondContact O-N 2.99Å; I752-E754 VanDerWaalsContact O-N 3.13Å; E754-V756 HydrophobicContact CG-CG2 4.02Å; E754-V756 PolarHBondContact O-N 3.18Å
755E39.7Very low35Very low193 Ų193145.6 Ų145.690%0.90281%0.812SS**  trans-68.877176.4-74-165.9135.400111.6G757E755-G757 PolarHBondContact O-N 2.83Å
756V41.5Very low34.8Very low116 Ų116145.5 Ų145.570%0.70381%0.814SS**  trans-87.285.7165.6-171.70000109E754 G758E754-V756 HydrophobicContact CG-CG2 4.02Å; E754-V756 PolarHBondContact O-N 3.18Å; V756-G758 VanDerWaalsContact C-N 3.27Å; V756-G758 PolarHBondContact O-N 3.44Å
757G35.4Very low34.9Very low82 Ų82144.8 Ų144.885%0.84581%0.808SS**  trans-68.178.1173.200000112.7E755E755-G757 PolarHBondContact O-N 2.83Å
758G34.5Very low35.1Very low69 Ų69140.5 Ų140.571%0.71179%0.792SS**  trans-93.798.4172.700000112V756V756-G758 VanDerWaalsContact C-N 3.27Å; V756-G758 PolarHBondContact O-N 3.44Å
759E38.4Very low35.1Very low199 Ų199142.3 Ų142.393%0.9380%0.796SS**  trans-69132.8168.2-67.7-166137.200110.6
760G35.5Very low35.7Very low79 Ų79146 Ų14681%0.81480%0.799SS**  trans-78.6136.6-169.600000114.5
761G35.9Very low36Very low77 Ų77147 Ų14779%0.79480%0.799SS**  trans-127.790166.400000110.2G763G761-G763 PolarHBondContact O-N 3.48Å
762E34.5Very low36.2Very low205 Ų205149.4 Ų149.496%0.95880%0.801SS**  trans-71.1116.6-175.5-67.9173.2-143.100111.5
763G35.8Very low36.3Very low69 Ų69147.8 Ų147.871%0.71180%0.798SS**  trans-130.984.6-178.900000111.5G761 Y765G761-G763 PolarHBondContact O-N 3.48Å; G763-Y765 PolarHBondContact O-N 3.04Å
764E34.4Very low36.2Very low183 Ų183147.4 Ų147.486%0.85580%0.796SS**  trans-65.2114.6-177.8-174178.8-157.400111.9
765Y32.8Very low36Very low206 Ų206147.1 Ų147.181%0.80880%0.798SS**  trans-131.586.4170.2-112.6-85000111.4G763 I767G763-Y765 PolarHBondContact O-N 3.04Å; Y765-I767 HydrophobicContact CD1-CD1 4.22Å; Y765-I767 HydrophobicContact CD1-CG1 4.33Å; Y765-I767 PolarHBondContact O-N 3.04Å
766M33.3Very low35.6Very low173 Ų173146.4 Ų146.485%0.85279%0.794SS**  trans-68.3110.4174178.6-172.565.500110.8
767I36.7Very low35.3Very low142 Ų142145 Ų14573%0.72880%0.795SS**  trans-126.390.1176.1-55.1-176.6000111.2Y765Y765-I767 HydrophobicContact CD1-CD1 4.22Å; Y765-I767 HydrophobicContact CD1-CG1 4.33Å; Y765-I767 PolarHBondContact O-N 3.04Å
768D37.6Very low35.3Very low98 Ų98149.9 Ų149.952%0.52479%0.793SS.*  trans28.598.8149.9-1689.9000118.4R770D768-R770 PolarHBondContact O-N 3.28Å; D768-R770 WeakPolarHBondContact OD1-CB 3.47Å; D768-R770 PolarHBondContact OD1-N 3.37Å
769E35.3Very low35.4Very low185 Ų185153.3 Ų153.386%0.86480%0.795SS**G310 helixtrans-57.7-15.6176.6-69.4-176.710600114.7K771 M772E769-K771 PolarHBondContact O-N 3.06Å; E769-M772 PolarHBondContact O-N 2.84Å
770R41.5Very low35.2Very low215 Ų215150.2 Ų150.281%0.81178%0.784SS**G310 helixtrans-77.413.7-171.7-65.4-176.5170.6169.8-0.2115.7D768D768-R770 PolarHBondContact O-N 3.28Å; D768-R770 WeakPolarHBondContact OD1-CB 3.47Å; D768-R770 PolarHBondContact OD1-N 3.37Å
771K37.7Very low35.1Very low182 Ų182153.4 Ų153.479%0.79178%0.783SS**G310 helixtrans-115.8-4.8173.4-76.7-178.5178.4172.10115.7E769 T773E769-K771 PolarHBondContact O-N 3.06Å; K771-T773 VanDerWaalsContact C-N 3.31Å; K771-T773 PolarHBondContact O-N 3.28Å
772M34.4Very low35.1Very low170 Ų170155 Ų15584%0.83778%0.777SS**SBendtrans-77.1-19.4177.6-150.363.2-178.900113.1E769 H774E769-M772 PolarHBondContact O-N 2.84Å; M772-H774 VanDerWaalsContact C-N 3.32Å; M772-H774 PolarHBondContact O-N 2.85Å; M772-H774 VanDerWaalsContact O-N 3.1Å
773T35.2Very low34.9Very low117 Ų117152.5 Ų152.572%0.71877%0.769SS**THydrogen-bonded Turntrans-86.246.3-174.557.20000114.2K771K771-T773 VanDerWaalsContact C-N 3.31Å; K771-T773 PolarHBondContact O-N 3.28Å
774H33Very low34.7Very low173 Ų173155 Ų15580%0.80177%0.77SS**THydrogen-bonded Turntrans-147.412.2174.7-134.9-58.2000118.3M772M772-H774 VanDerWaalsContact C-N 3.32Å; M772-H774 PolarHBondContact O-N 2.85Å; M772-H774 VanDerWaalsContact O-N 3.1Å
775I33.7Very low34.5Very low156 Ų156153.9 Ų153.980%0.877%0.77SS**SBendtrans-111.7-15172-65-179.7000112.5A777I775-A777 PolarHBondContact O-N 2.82Å
776H31.6Very low34.3Very low178 Ų178151.9 Ų151.982%0.82477%0.772SS**THydrogen-bonded Turntrans-80.225.8-173-145.2-74.9000115.6
777A34.2Very low34.3Very low86 Ų86151.3 Ų151.371%0.71177%0.77SS**THydrogen-bonded Turntrans-141.925.1-174.300000113.9I775I775-A777 PolarHBondContact O-N 2.82Å
778K36.4Very low33.9Very low186 Ų186149.5 Ų149.581%0.80977%0.77SS**SBendtrans-137.718178.2-78.3-161.5171.3-170.20115.3
779N34.9Very low33.6Very low141 Ų141153 Ų15375%0.75479%0.787SS**SBendtrans-141.724.4176.6-101.4-16.5000112.1
780L35.2Very low33.5Very low134 Ų134151.1 Ų151.170%0.70278%0.783SS**SBendtrans-100.7-8.9-179.4-143.271.8000113.5T782L780-T782 PolarHBondContact O-N 2.69Å
781D32.3Very low33.2Very low146 Ų146149.8 Ų149.878%0.78179%0.786SS**THydrogen-bonded Turntrans-82.64.1177.4-57.8-54.1000113.5
782T36.1Very low32.8Very low110 Ų110146.7 Ų146.768%0.67579%0.786SS**THydrogen-bonded Turntrans-98.3-4.3-174.2-32.80000113.6L780L780-T782 PolarHBondContact O-N 2.69Å
783I31.7Very low32.8Very low153 Ų153146.2 Ų146.279%0.78578%0.784SS**SBendtrans-134.646-178.2-39.3-178.3000112.1
784T31.4Very low32.4Very low122 Ų122147.3 Ų147.375%0.74879%0.785SS**  trans-150.863.1160.6-42.50000111.8
785N28.7Very low32.3Very low158 Ų158144.5 Ų144.585%0.84579%0.785SS**  trans-136.873.2167.8-93-40.8000110
786I30Very low32.3Very low165 Ų165143 Ų14385%0.84678%0.783SS**  trans-13293.2169.3-58177.3000107
787I32.6Very low32.3Very low161 Ų161142.3 Ų142.383%0.82679%0.785SS**SBendtrans-179136156.9-97.6150.7000108
788S29.3Very low32.2Very low104 Ų104145.1 Ų145.173%0.72779%0.788SS**  trans43.9100.6164.2-61.40000119.9
789I31.5Very low31.9Very low170 Ų170143.9 Ų143.987%0.87279%0.791SS**  trans-127.696.7134.5-57.8-179.5000107.6
790D31.4Very low31.7Very low147 Ų147143.2 Ų143.279%0.78680%0.797SS**  trans-104.6153.5156.4-92.7-52.3000108.2
791E35.8Very low31.4Very low187 Ų187139.5 Ų139.587%0.87479%0.791SS**  trans4386.9167.4-61.1-165.3135.200118.4
792C30.3Very low31.3Very low117 Ų117140 Ų14079%0.79179%0.792SS**  trans-158.3128.1133.5-109.70000115.6
793M33.3Very low30.9Very low159 Ų159141.7 Ų141.778%0.78380%0.796SS**  trans63.6118.1148.4-60.4-76.68100120.5
794D28.1Very low30.7Very low140 Ų140140.7 Ų140.775%0.74979%0.788SS**  trans-48.7171.8157.7-50.1-98.2000114.9
795S29.5Very low30.5Very low114 Ų114142.7 Ų142.780%0.79779%0.794SS**  trans94.948.1155.5-42.70000119.3
796V33.6Very low30.3Very low125 Ų125145.1 Ų145.176%0.75879%0.792SS**  trans-136.293.8139.3-167.40000110.8
797N32.3Very low30.2Very low163 Ų163142.1 Ų142.187%0.87279%0.786SS**PPolyproline II helixtrans-75.7125.4151.7-96.7-36.7000106.6D799N797-D799 PolarHBondContact O-N 2.89Å
798N31.9Very low30.1Very low146 Ų146138.6 Ų138.678%0.78178%0.775SS**PPolyproline II helixtrans-64.9130.1-179.1-81.1-46.8000111.3S800N798-S800 PolarHBondContact O-N 2.87Å
799D31.1Very low30.2Very low160 Ų160141.1 Ų141.186%0.85678%0.78SS**PPolyproline II helixtrans-62116.5164.6-85-57.7000110.3N797N797-D799 PolarHBondContact O-N 2.89Å
800S30.3Very low30.1Very low127 Ų127136.2 Ų136.289%0.88877%0.772SS**  trans-119.834.9156.970.10000110.8N798N798-S800 PolarHBondContact O-N 2.87Å
801G28.7Very low30Very low56 Ų56134.7 Ų134.758%0.57777%0.773SS**  trans-96.5109.8171.900000111.4
802I29.9Very low29.6Very low155 Ų155132.6 Ų132.680%0.79577%0.766SS**  trans-164.7132.3158.6-104.7155.9000107.4
803L26.9Very low29.6Very low146 Ų146133.3 Ų133.376%0.76476%0.761SS**SBendtrans63.2125.7-174-45179.2000115.1
804H28.4Very low29.3Very low132 Ų132132 Ų13261%0.61175%0.753SS**  cis-145.6124-10.9-117.3-75.2000107.7W806H804-W806 AromaticContact CE1-CE2 3.83Å; H804-W806 AromaticContact CE1-CZ2 3.99Å
805N26.2Very low29.4Very low165 Ų165132.5 Ų132.588%0.88275%0.748SS**  trans-135.4108.3159-159.29.6000107.4
806W25.5Very low29.3Very low208 Ų208132.1 Ų132.179%0.78875%0.745SS**  trans-90.1152.6-177.5-102.7-26000110.9H804H804-W806 AromaticContact CE1-CE2 3.83Å; H804-W806 AromaticContact CE1-CZ2 3.99Å
807S27.6Very low29.1Very low103 Ų103133.3 Ų133.372%0.7275%0.746SS**  trans19.3141.5144.5-76.40000120.8
808S30Very low28.9Very low86 Ų86130.9 Ų130.960%0.60174%0.737SS**  cis-175.9158.7-1.2-1050000108.3
809N32.4Very low28.8Very low158 Ų158129.1 Ų129.185%0.84574%0.736SS**  trans64.2127.9167.5-45.3-29.4000114.6
810G29.1Very low28.8Very low67 Ų67126.1 Ų126.169%0.69173%0.728SS**  cis97.4111.513.100000110.9
811S28.7Very low28.9Very low115 Ų115125.1 Ų125.180%0.80472%0.721SS**  trans67.9152.2172.8-71.30000117.8
812I28.7Very low29.1Very low142 Ų142127 Ų12773%0.72873%0.725SS**  cis-168.3167.5-26.8-149.8166.9000108.1
813I29.6Very low29.3Very low133 Ų133124.7 Ų124.768%0.68272%0.723SS**  trans70.2106.4160.1-76.8173.2000119
814E28Very low29.7Very low132 Ų132122.4 Ų122.462%0.61772%0.719SS**  76.3129.3124-63.7-164.4147.500126.2
815K29.1Very low30Very low150 Ų150123.9 Ų123.965%0.65273%0.73SS**  76.299.1129.4-70.9169.5-169.9153.20122.2
816S27.2Very low30.8Very low106 Ų106121.3 Ų121.374%0.74172%0.723SS**  78.9170.3112.9-55.70000120.5
817I29.1Very low31.3Very low149 Ų149119.7 Ų119.776%0.76473%0.729SS**  trans72.672.2168.5-50.4-179.9000113
818T27.9Very low31.5Very low113 Ų113120.6 Ų120.669%0.69373%0.73SS**  76.5144.986.759.20000116.1
819S29.7Very low31.6Very low109 Ų109121.3 Ų121.376%0.76274%0.741SS**  trans63.6146.3158.448.70000118.5
820S31Very low31.8Very low97 Ų97118.2 Ų118.268%0.67874%0.738SS**  cis-173.1172.3-1651.70000109
821S32.4Very low31.9Very low105 Ų105120.9 Ų120.973%0.73474%0.74SS**  trans62149.9150.345.80000119.4
822S33.7Very low32.2Very low96 Ų96121.3 Ų121.367%0.67174%0.738SS**  cis-176.7171-18.352.60000108.6
823S34Very low32.6Very low106 Ų106120.5 Ų120.574%0.74174%0.74SS**  trans62.8163.3153.940.40000117.3
824S35.4Very low32.7Very low99 Ų99119.9 Ų119.969%0.69274%0.743SS**  cis-174.1153.3-15.845.50000107.8
825L35.6Very low33Very low162 Ų162119.7 Ų119.785%0.84875%0.751SS**  cis-160.9161.7-11.8-99.7168.1000106.6
826P41.8Very low33.1Very low111 Ų111118.4 Ų118.472%0.72176%0.756SS**  trans-88.1164.7-176.437-36000113.4
827L35.7Very low33.4Very low174 Ų174120.9 Ų120.991%0.91176%0.759SS**  trans-157.9160161.1-109.3151.2000113.3
828T32.3Very low33.5Very low122 Ų122119.1 Ų119.175%0.74876%0.756SS**  trans-113.1147.7-15345.90000116.3
829A32.5Very low33.7Very low101 Ų101122.4 Ų122.484%0.83577%0.765SS**  trans51.3135.9137.500000123.2
830A35.6Very low33.9Very low94 Ų94120.9 Ų120.978%0.77777%0.767SS**  -179107.9126.700000115.5
831T33Very low34.1Very low122 Ų122124.5 Ų124.575%0.74877%0.773SS**  trans26.5132.7134.5-16.60000124.7
832T34.5Very low34.2Very low124 Ų124124.9 Ų124.976%0.76177%0.766SS**  trans64.7143.6148.238.50000119.8
833T35.8Very low34.4Very low125 Ų125125.9 Ų125.977%0.76776%0.764SS**  cis-160.2155.345.9-48.20000114.3
834T33.1Very low34.6Very low120 Ų120127.4 Ų127.474%0.73676%0.764SS**  trans-34.9149.5163-43.40000118.5
835T33.5Very low34.8Very low129 Ų129129.4 Ų129.479%0.79177%0.767SS**  176140.4115.2-65.80000113.3
836T32.1Very low35Very low123 Ų123127.4 Ų127.476%0.75576%0.757SS**  trans-105.7150.2174.648.50000112.5
837I32.1Very low34.9Very low158 Ų158126.5 Ų126.581%0.8174%0.743SS**  trans-162.5110.1143.6-103.1148.7000112.8
838T32.8Very low34.9Very low112 Ų112121.1 Ų121.169%0.68771%0.713SS**  36.4146.3123-12.80000124.8
839M31.2Very low35.3Very low181 Ų181121.1 Ų121.189%0.89271%0.705SS**  trans87.1128.8153.9-56-60.6-84.100119.8
840G34.1Very low35.5Very low78 Ų78118.8 Ų118.880%0.80469%0.69SS**  trans161.8104.2162.100000115.4
841H35.3Very low35.4Very low173 Ų173121.5 Ų121.580%0.80169%0.692SS**  trans-29.4165158.4-93.1-12.3000117.7
842N33.9Very low35.4Very low112 Ų112121 Ų12160%0.59969%0.692SS**  cis174169.4-21.8-11960.6000106.6
843D37.8Very low35.2Very low117 Ų117123.1 Ų123.163%0.62670%0.697SS**  trans63.196151.8-47.6-16.8000121
844D38.5Very low35.1Very low139 Ų139120.7 Ų120.774%0.74370%0.697SS**  82.6135.3114.8-52.7-17000125.6
845D40Very low35.2Very low141 Ų141119.4 Ų119.475%0.75470%0.699SS**  trans73.890.2143.4-60.3-5.3000125.8
846D40.5Very low35.4Very low119 Ų119118.7 Ų118.764%0.63670%0.699SS**  60.7135.9105.2-84.421000127.3
847H39.7Very low35.5Very low92 Ų92120.4 Ų120.443%0.42670%0.703SS.*  trans122.1117.3135.9-56.8-43.4000126K274 Q275 L276K274-H847 HydrophobicContact CB-CB 3.91Å; K274-H847 VanDerWaalsContact CB-CD2 3.43Å; K274-H847 WeakPolarHBondContact CB-CD2 3.19Å; K274-H847 HydrophobicContact CD-CB 3.55Å; K274-H847 HydrophobicContact CG-CB 4.17Å; K274-H847 VanDerWaalsContact NZ-C 3.28Å; K274-H847 VanDerWaalsContact NZ-CB 3.3Å; K274-H847 PolarHBondContact NZ-O 3.36Å; Q275-H847 HydrophobicContact CB-CB 3.87Å; Q275-H847 PolarHBondContact N-ND1 3.45Å; Q275-H847 VanDerWaalsContact N-ND1 3.14Å; Q275-H847 WeakPolarHBondContact O-CA 2.92Å; Q275-H847 PolarHBondContact O-ND1 2.86Å; L276-H847 WeakPolarHBondContact O-CA 3.5Å; L276-H847 PolarHBondContact O-N 3.08Å
848E35.5Very low35.7Very low61 Ų61121 Ų12129%0.28570%0.695SS.*  trans-26.4-177.9165.1-118.7-166.4-161.700124.4K274 Q275 L276K274-E848 PolarHBondContact NZ-O 3.36Å; Q275-E848 HydrophobicContact CB-CB 3.2Å; Q275-E848 HydrophobicContact CB-CG 4.45Å; Q275-E848 HydrophobicContact CG-CB 3.28Å; Q275-E848 HydrophobicContact CG-CG 4.31Å; Q275-E848 WeakPolarHBondContact CG-OE2 3.35Å; Q275-E848 PolarHBondContact OE1-O 2.75Å; L276-E848 HydrophobicContact CB-CB 3.56Å; L276-E848 HydrophobicContact CB-CG 3.42Å; L276-E848 VanDerWaalsContact CB-CG 3.42Å; L276-E848 VanDerWaalsContact CB-N 3.26Å; L276-E848 HydrophobicContact CD1-CG 3.43Å; L276-E848 VanDerWaalsContact CD1-CG 3.43Å; L276-E848 HydrophobicContact CD2-CB 4.43Å; L276-E848 HydrophobicContact CD2-CG 3.69Å; L276-E848 HydrophobicContact CG-CB 4.31Å; L276-E848 HydrophobicContact CG-CG 3.6Å
849H40.9Very low35.8Very low123 Ų123124.8 Ų124.857%0.56971%0.705SS**  cis-134.2158.344.7-71.2-79.6000115.3R273 Q275R273-H849 WeakPolarHBondContact CB-NE2 3.17Å; Q275-H849 WeakPolarHBondContact CG-CE1 3.47Å; Q275-H849 VanDerWaalsContact CG-CG 3.43Å; Q275-H849 WeakPolarHBondContact CG-ND1 3.17Å; Q275-H849 WeakPolarHBondContact CG-NE2 3.34Å; Q275-H849 VanDerWaalsContact NE2-CB 3.32Å; Q275-H849 PolarHBondContact NE2-CD2 3.26Å; Q275-H849 PolarHBondContact NE2-CE1 3.03Å; Q275-H849 PolarHBondContact NE2-ND1 3.02Å; Q275-H849 PolarHBondContact NE2-NE2 3.36Å; Q275-H849 PolarHBondContact OE1-CD2 3.15Å; Q275-H849 PolarHBondContact OE1-CE1 3.44Å; Q275-H849 PolarHBondContact OE1-ND1 3.43Å; Q275-H849 PolarHBondContact OE1-NE2 3.14Å
850G36.7Very low36.1Very low51 Ų51121.1 Ų121.153%0.52669%0.688SS.*  cis178.7-161.411.100000115
851D33.4Very low36.2Very low152 Ų152123.3 Ų123.381%0.81369%0.689SS**  trans-58.5157.9-176.5-53.6-96.4000117.3
852C32.7Very low36.1Very low112 Ų112122.1 Ų122.176%0.75769%0.687SS**  178.8127123.2-95.10000117.3
853I30.6Very low36Very low167 Ų167123.7 Ų123.786%0.85670%0.701SS**  trans50.9121.4131.2-51.4169.6000120.1
854G33.1Very low35.9Very low75 Ų75124.3 Ų124.377%0.77370%0.703SS**  trans-165.136.1179.400000122.2
855A35.5Very low35.4Very low93 Ų93125.4 Ų125.477%0.76971%0.709SS**  trans43135.6155.400000124.5
856S36.9Very low35.1Very low113 Ų113126.1 Ų126.179%0.7971%0.711SS**  trans71.6151.3156.2-55.60000118.2
857N35.8Very low34.6Very low159 Ų159127.8 Ų127.885%0.8572%0.717SS**  cis-141.2165.47.9-136.5-22.9000112.1
858R34.4Very low34Very low170 Ų170133 Ų13364%0.64274%0.738SS**  trans-108.2153-174-68177.8175.2169.3-1.9113.8L860R858-L860 HydrophobicContact CB-CD1 4.27Å; R858-L860 HydrophobicContact CG-CD1 4.48Å
859H36.2Very low33.9Very low193 Ų193135.6 Ų135.689%0.89476%0.763SS**  trans-146.1142.3134.8-122-88.7000110.4
860L36.1Very low33.5Very low103 Ų103135.7 Ų135.754%0.53977%0.773SS.*  trans-114.4153.4-179.4-82.573.7000110.5R858R858-L860 HydrophobicContact CB-CD1 4.27Å; R858-L860 HydrophobicContact CG-CD1 4.48Å
861P37.6Very low33.4Very low125 Ų125141 Ų14181%0.81279%0.789SS**  trans-73152.5158.933.5-33.8000110.7
862L33.3Very low33.6Very low147 Ų147141.3 Ų141.377%0.7779%0.786SS**  trans-125.7122.6172.7-81.3169.5000110I864L862-I864 HydrophobicContact CB-CG1 4.3Å
863T31.7Very low33.7Very low146 Ų146142.4 Ų142.490%0.89678%0.784SS**  trans-75.5136.7153.132.70000109
864I35.9Very low33.9Very low130 Ų130141.9 Ų141.967%0.66778%0.782SS**  trans-136.7109.4174.7-63.3-178.6000108.1L862 I866L862-I864 HydrophobicContact CB-CG1 4.3Å; I864-I866 HydrophobicContact CG2-CD1 4.35Å
865D26.2Very low33.9Very low161 Ų161145.4 Ų145.486%0.86178%0.782SS**  trans-65.9136.2153.4-77.1-58.7000109.1
866I34.5Very low33.9Very low156 Ų156146.3 Ų146.380%0.878%0.778SS**  trans-158.1146.4149-108.5149.6000111I864I864-I866 HydrophobicContact CG2-CD1 4.35Å
867M29.2Very low33.5Very low155 Ų155148.7 Ų148.776%0.76478%0.781SS**  trans-76.3165-174.8-53.3165-7700113
868K27.7Very low33.5Very low200 Ų200146.6 Ų146.687%0.8778%0.778SS**  trans43.2111.5144.5-72.3177.8174.8179.80117.8
869S33.9Very low33.5Very low116 Ų116143 Ų14381%0.81178%0.779SS**  -140.6135.3125.754.90000110.7
870T31.9Very low33.4Very low125 Ų125140.2 Ų140.277%0.76778%0.776SS**  trans-76.3140.5169.242.10000109.5
871N36.1Very low33.4Very low163 Ų163139.8 Ų139.887%0.87278%0.782SS**  trans-116.3114.2154.6-99.7-49.5000108.6
872E35.7Very low33.3Very low159 Ų159139.1 Ų139.174%0.74378%0.78SS**  trans-78.1158.9170.1-54.3179.8142.900109.4
873N36.5Very low33.6Very low135 Ų135137 Ų13772%0.72278%0.778SS**  170144.7119.1-96.4-70.2000111.6
874L33.3Very low33.8Very low156 Ų156135.3 Ų135.382%0.81777%0.767SS**  trans67.2134.3155.9-64.5162.3000115.7
875I34.7Very low33.7Very low148 Ų148136.5 Ų136.576%0.75977%0.774SS**  cis-140.2145.715.9-68.8-171.6000112.4
876T34.2Very low34.2Very low113 Ų113134.9 Ų134.969%0.69377%0.77SS**  trans2.6121.8169.161.60000123.6
877L29.7Very low34.1Very low163 Ų163133 Ų13385%0.85377%0.766SS**  34.6152.1107.6-69.5169.5000122.8
878S34.1Very low34.5Very low114 Ų114133.8 Ų133.880%0.79777%0.772SS**  trans91.314616279.60000117.8
879S34.7Very low35Very low95 Ų95131.1 Ų131.166%0.66477%0.767SS**  cis-173.7145-2848.80000110.9
880T34.6Very low35.4Very low134 Ų134130.6 Ų130.682%0.82276%0.761SS**  trans61.3158.8159.744.70000117.6
881S35.9Very low36Very low95 Ų95129.2 Ų129.266%0.66475%0.754SS**  cis-170.4147.8-13.545.30000110.8
882S35.6Very low35.9Very low110 Ų110128.9 Ų128.977%0.76975%0.752SS**  trans64.5164.6162.1-46.70000115.7
883S39Very low35.9Very low104 Ų104125.5 Ų125.573%0.72775%0.746SS**  cis-161.2162.99.6-12.70000109.3
884T36.1Very low35.9Very low110 Ų110126.2 Ų126.268%0.67574%0.744SS**  cis-177.6138.4-21.223.90000108.8
885I34.6Very low36.1Very low155 Ų155125.3 Ų125.380%0.79574%0.736SS**  trans71.9141.6155.5-55157.5000113.4
886T36.8Very low36.2Very low127 Ų127124.7 Ų124.778%0.77973%0.729SS**  cis-143.7151.834.9-32.30000113.7
887T32.8Very low36.3Very low117 Ų117126.1 Ų126.172%0.71873%0.728SS**  trans-67.8155.3166.851.20000113.9
888L37.8Very low36.6Very low170 Ų170124.6 Ų124.689%0.8972%0.716SS**  -159.5140.2115-106.2166.2000112.9
889N36.5Very low36.7Very low144 Ų144125.8 Ų125.877%0.7771%0.709SS**  trans-131.4178-169.3-122.4-3000105.6
890P43.8Very low36.8Very low106 Ų106127.4 Ų127.469%0.68871%0.709SS**  cis-126.2-102.6-36.426.7-4.8000115.4
891P44.1Very low36.8Very low96 Ų96127.6 Ų127.662%0.62370%0.701SS**  -134.4-151.1-116.340.6-17.7000115.4
892L32.9Very low36.7Very low156 Ų156130.6 Ų130.682%0.81770%0.704SS**  trans84.2148.7168.3-60.4143.8000114.4
893S36.4Very low36.7Very low88 Ų88129.8 Ų129.862%0.61570%0.698SS**  cis-158.5147.119.2640000115
894H36.2Very low36.3Very low150 Ų150131.7 Ų131.769%0.69470%0.7SS**  trans58.3164.5148.8-64-56000118.7
895H37.1Very low36.1Very low137 Ų137130.8 Ų130.863%0.63469%0.69SS**  cis-166.1156.7-19.8-107.5-33000106.9
896H37.1Very low36.1Very low134 Ų134127.6 Ų127.662%0.6268%0.682SS**  cis-169.2165-18.5-143.921.2000110.4
897Q36.2Very low36.1Very low143 Ų143125.6 Ų125.667%0.66867%0.666SS**  trans64.5157.4154.1-74.2166.4-23.700118.2
898H36.8Very low36Very low131 Ų131125.8 Ų125.861%0.60666%0.662SS**  cis-148.5132.3-3.1-126.7-57.5000112
899H36Very low35.9Very low140 Ų140124 Ų12465%0.64865%0.654SS**  trans65.6117.8135.7-88.8-152.3000125.6
900L35.9Very low35.6Very low128 Ų128123.3 Ų123.367%0.6765%0.65SS**  63.8153.4129-45-175.3000119.5
901H35.8Very low35.3Very low139 Ų139125.5 Ų125.564%0.64466%0.655SS**  cis-157147.1-2.9-132.8-143.4000110.7
902H34.3Very low35Very low157 Ų157126.1 Ų126.173%0.72766%0.657SS**  trans41.2144.9139.9-73.6-114.6000121.6
903S35Very low34.9Very low94 Ų94126 Ų12666%0.65766%0.657SS**  cis-160.5163.313.430.10000113.1
904N31Very low35.1Very low143 Ų143128 Ų12877%0.76567%0.666SS**  trans-92.6176.7179.2-55.9-35.1000113.6H375H375-N904 VanDerWaalsContact CD2-C 3.46Å
905I32.3Very low35Very low91 Ų91127.8 Ų127.847%0.46767%0.67SS.*  trans17890.9134.9-81.1144.3000108.7H375 H376H375-I905 WeakPolarHBondContact CA-O 3.44Å; H375-I905 HydrophobicContact CB-CB 3.89Å; H375-I905 HydrophobicContact CB-CG2 4.05Å; H375-I905 WeakPolarHBondContact CB-O 3.36Å; H375-I905 PolarHBondContact CD2-N 3.04Å; H375-I905 PolarHBondContact CE1-N 3.03Å; H375-I905 VanDerWaalsContact CE1-N 3.33Å; H375-I905 PolarHBondContact ND1-O 3.02Å; H375-I905 PolarHBondContact NE2-N 2.95Å; H376-I905 HydrophobicContact CB-CG2 4.23Å; H376-I905 WeakPolarHBondContact O-CG2 3.5Å
906S33.3Very low34.9Very low88 Ų88130.8 Ų130.862%0.61568%0.682SS**  trans-60.5155169.7-160.40000110.8H376H376-S906 WeakPolarHBondContact CB-O 3.07Å
907I36.6Very low34.7Very low86 Ų86129.2 Ų129.244%0.44169%0.686SS.*  -179.7148.792.3-34.6100.1000111.1H376H376-I907 HydrophobicContact CB-CD1 4.21Å; H376-I907 HydrophobicContact CB-CG2 4.47Å; H376-I907 VanDerWaalsContact CE1-CG2 3.43Å; H376-I907 WeakPolarHBondContact CE1-CG2 3.49Å; H376-I907 PolarHBondContact ND1-O 3.12Å
908D31.2Very low34.7Very low120 Ų120129.6 Ų129.664%0.64269%0.691SS**  trans27.5131.8141.6-32.6-29.6000121.7
909N34.7Very low34.9Very low133 Ų133129.2 Ų129.271%0.71170%0.698SS**  -173.5146.2110.8-111.742.9000113.8
910D31Very low34.8Very low130 Ų130127.3 Ų127.370%0.69569%0.692SS**  trans59.6168.9151.4-58.2-46.7000122.5
911L38.3Very low35.2Very low151 Ų151128.1 Ų128.179%0.79170%0.697SS**  trans70.2102.9165.9-61.9164000116.3
912T36.6Very low35.7Very low110 Ų110126 Ų12668%0.67569%0.691SS**  64125.983.863.50000115.7
913D31.9Very low36.4Very low152 Ų152123.5 Ų123.581%0.81368%0.683SS**  trans42.6103.5154-54.8-31000119.1
914T40.6Very low37Very low132 Ų132125.1 Ų125.181%0.8168%0.684SS**  trans-120.499155.758.10000109.8F916T914-F916 PolarHBondContact O-N 3.18Å
915D34.4Very low37.8Very low144 Ų144124.6 Ų124.677%0.7768%0.676SS**  trans-59.7126.3177.9-78.7-61000112.9S917D915-S917 VanDerWaalsContact C-N 3.29Å; D915-S917 PolarHBondContact O-N 2.92Å
916F34.6Very low38.9Very low200 Ų200123.6 Ų123.688%0.87767%0.671SS**  trans-73.989.3155.5-89.8-82.2000109T914 I918T914-F916 PolarHBondContact O-N 3.18Å; F916-I918 VanDerWaalsContact C-N 3.29Å; F916-I918 PolarHBondContact O-N 3.21Å
917S32.4Very low40.2Very low102 Ų102123.2 Ų123.271%0.71367%0.669SS**  trans-66.580.2177.6-69.80000112.2D915 T919D915-S917 VanDerWaalsContact C-N 3.29Å; D915-S917 PolarHBondContact O-N 2.92Å; S917-T919 PolarHBondContact O-N 3.09Å; S917-T919 VanDerWaalsContact O-N 3.12Å
918I36.8Very low41.6Very low151 Ų151122.7 Ų122.777%0.77467%0.672SS**  trans-70.9100161.5-61.9179.3000107.1F916F916-I918 VanDerWaalsContact C-N 3.29Å; F916-I918 PolarHBondContact O-N 3.21Å
919T40.4Very low42.7Very low123 Ų123119 Ų11976%0.75565%0.651SS**  trans-63.5135.5179.8500000111.5S917 D921S917-T919 PolarHBondContact O-N 3.09Å; S917-T919 VanDerWaalsContact O-N 3.12Å; T919-D921 PolarHBondContact O-N 3.4Å
920N34.9Very low43.6Very low99 Ų99115.7 Ų115.753%0.52963%0.633SS.*  trans-49.5125.2-169.5-90.48.3000116.4N922 D923N920-N922 PolarHBondContact OD1-ND2 2.87Å; N920-D923 PolarHBondContact ND2-OD2 3.29Å
921D44.2Very low45Very low145 Ų145112.6 Ų112.678%0.77563%0.626SS**  trans-1090.7141.1-93.1-47.2000111.8T919 D923 N924T919-D921 PolarHBondContact O-N 3.4Å; D921-D923 PolarHBondContact O-N 2.94Å; D921-N924 PolarHBondContact O-N 3.4Å
922N46.3Very low46.1Very low94 Ų94110.1 Ų110.150%0.50361%0.611SS.*Hα-helixtrans-61.5-35-167.7-67.8-46.4000114.5N920 N924 F925 D926N920-N922 PolarHBondContact OD1-ND2 2.87Å; N922-N924 PolarHBondContact O-N 2.94Å; N922-N924 VanDerWaalsContact O-N 3.1Å; N922-F925 WeakPolarHBondContact O-CA 3.24Å; N922-F925 WeakPolarHBondContact O-CB 3.28Å; N922-F925 PolarHBondContact O-N 2.69Å; N922-D926 PolarHBondContact O-N 3.49Å
923D48.1Very low47.1Very low105 Ų105105.1 Ų105.156%0.56158%0.58SS**Hα-helixtrans-61-26.4-173.3-53.7-63.7000113N920 D921 S927N920-D923 PolarHBondContact ND2-OD2 3.29Å; D921-D923 PolarHBondContact O-N 2.94Å; D923-S927 PolarHBondContact O-N 2.78Å; D923-S927 PolarHBondContact O-OG 2.86Å
924N47.9Very low48.1Very low128 Ų128102.2 Ų102.268%0.68456%0.564SS**Hα-helixtrans-83.6-24.7176.3-16833.1000112.7D921 N922 S928D921-N924 PolarHBondContact O-N 3.4Å; N922-N924 PolarHBondContact O-N 2.94Å; N922-N924 VanDerWaalsContact O-N 3.1Å; N924-S928 PolarHBondContact O-N 3.21Å
925F48.7Very low48.7Very low133 Ų13397.6 Ų97.658%0.58354%0.538SS*.Hα-helixtrans-70.3-52.4172.5-178.3-90.9000110.5N922 S927 S928 F929N922-F925 WeakPolarHBondContact O-CA 3.24Å; N922-F925 WeakPolarHBondContact O-CB 3.28Å; N922-F925 PolarHBondContact O-N 2.69Å; F925-S927 VanDerWaalsContact C-N 3.32Å; F925-S927 PolarHBondContact O-N 3.5Å; F925-S928 CarbonylContact O-C 3.53Å; F925-S928 WeakPolarHBondContact O-CA 3.23Å; F925-S928 WeakPolarHBondContact O-CB 3.49Å; F925-S928 PolarHBondContact O-N 3.09Å; F925-F929 HydrophobicContact CD1-CB 4.39Å; F925-F929 HydrophobicContact CE1-CB 4.2Å; F925-F929 AromaticContact CE1-CD2 3.9Å; F925-F929 HydrophobicContact CE1-CD2 3.9Å; F925-F929 HydrophobicContact CE1-CG 4.32Å; F925-F929 HydrophobicContact CZ-CD2 4.23Å; F925-F929 WeakPolarHBondContact O-CB 3.34Å; F925-F929 PolarHBondContact O-N 2.9Å
926D54.2Low49.8Very low69 Ų6992.9 Ų92.937%0.36951%0.512SS..Hα-helixtrans-61.3-40.2-177-78.4-17.1000111.9N922 S928 F929 D930N922-D926 PolarHBondContact O-N 3.49Å; D926-S928 VanDerWaalsContact C-N 3.27Å; D926-S928 PolarHBondContact O-N 3.34Å; D926-F929 WeakPolarHBondContact O-CB 3.22Å; D926-F929 PolarHBondContact O-N 3.19Å; D926-D930 PolarHBondContact O-N 2.94Å
927S60.2Low50.4Low81 Ų8187.4 Ų87.457%0.56649%0.492SS*.Hα-helixtrans-57.8-36.9173.3-63.90000113.3D923 F925 A931D923-S927 PolarHBondContact O-N 2.78Å; D923-S927 PolarHBondContact O-OG 2.86Å; F925-S927 VanDerWaalsContact C-N 3.32Å; F925-S927 PolarHBondContact O-N 3.5Å; S927-A931 WeakPolarHBondContact O-CB 3.33Å; S927-A931 PolarHBondContact O-N 3.32Å
928S66.2Low51.5Low74 Ų7483 Ų8352%0.51746%0.46SS..Hα-helixtrans-80-34178.1-165.70000112.1N924 F925 D926 M932N924-S928 PolarHBondContact O-N 3.21Å; F925-S928 CarbonylContact O-C 3.53Å; F925-S928 WeakPolarHBondContact O-CA 3.23Å; F925-S928 WeakPolarHBondContact O-CB 3.49Å; F925-S928 PolarHBondContact O-N 3.09Å; D926-S928 VanDerWaalsContact C-N 3.27Å; D926-S928 PolarHBondContact O-N 3.34Å; S928-M932 WeakPolarHBondContact O-CB 3.23Å; S928-M932 PolarHBondContact O-N 2.85Å
929F53.9Low52Low43 Ų4378.1 Ų78.119%0.18944%0.437CS..Hα-helixtrans-65.5-50.3175.8-177.4-92.4000111.1F73 F925 D926 A931 M932 M933F73-F929 HydrophobicContact CD1-CE2 4.3Å; F73-F929 HydrophobicContact CD1-CZ 4.08Å; F73-F929 HydrophobicContact CE1-CE1 4.46Å; F73-F929 HydrophobicContact CE1-CE2 4.13Å; F73-F929 AromaticContact CE1-CZ 3.52Å; F73-F929 HydrophobicContact CE1-CZ 3.52Å; F73-F929 HydrophobicContact CZ-CE1 4.48Å; F73-F929 AromaticContact CZ-CZ 3.77Å; F73-F929 HydrophobicContact CZ-CZ 3.77Å; F925-F929 HydrophobicContact CD1-CB 4.39Å; F925-F929 HydrophobicContact CE1-CB 4.2Å; F925-F929 AromaticContact CE1-CD2 3.9Å; F925-F929 HydrophobicContact CE1-CD2 3.9Å; F925-F929 HydrophobicContact CE1-CG 4.32Å; F925-F929 HydrophobicContact CZ-CD2 4.23Å; F925-F929 WeakPolarHBondContact O-CB 3.34Å; F925-F929 PolarHBondContact O-N 2.9Å; D926-F929 WeakPolarHBondContact O-CB 3.22Å; D926-F929 PolarHBondContact O-N 3.19Å; F929-A931 PolarHBondContact O-N 3.01Å; F929-M932 CarbonylContact O-C 3.06Å; F929-M932 WeakPolarHBondContact O-CA 3.42Å; F929-M932 VanDerWaalsContact O-CB 3.32Å; F929-M932 WeakPolarHBondContact O-CB 3.27Å; F929-M932 PolarHBondContact O-N 3.48Å; F929-M933 HydrophobicContact CD1-CG 4.16Å; F929-M933 HydrophobicContact CD2-CE 4.13Å; F929-M933 HydrophobicContact CE1-CE 4.35Å; F929-M933 HydrophobicContact CE1-CG 4Å; F929-M933 HydrophobicContact CE2-CE 3.67Å; F929-M933 HydrophobicContact CZ-CE 3.81Å; F929-M933 HydrophobicContact CZ-CG 4.36Å; F929-M933 WeakPolarHBondContact O-CG 3.49Å; F929-M933 PolarHBondContact O-N 3.01Å
930D53.6Low52.3Low63 Ų6375.9 Ų75.934%0.33742%0.424SS..Hα-helixtrans-60.2-44.7174.8-91.8-4.1000111.6D926 M932 M933 N934D926-D930 PolarHBondContact O-N 2.94Å; D930-M932 PolarHBondContact O-N 3.38Å; D930-M933 PolarHBondContact O-N 3.28Å; D930-N934 VanDerWaalsContact O-CB 3.23Å; D930-N934 WeakPolarHBondContact O-CB 3.36Å; D930-N934 VanDerWaalsContact O-CG 3.24Å; D930-N934 PolarHBondContact O-N 3.3Å; D930-N934 PolarHBondContact O-ND2 2.93Å
931A60.4Low52.7Low66 Ų6673.2 Ų73.255%0.54541%0.408SS..Hα-helixtrans-61.1-29.7174.600000112.8S927 F929S927-A931 WeakPolarHBondContact O-CB 3.33Å; S927-A931 PolarHBondContact O-N 3.32Å; F929-A931 PolarHBondContact O-N 3.01Å
932M61Low52.5Low99 Ų9968.6 Ų68.649%0.48838%0.383SS..Hα-helixtrans-73.7-51173.2-163.7-178.3-45.700111.5S928 F929 D930 N934 S935S928-M932 WeakPolarHBondContact O-CB 3.23Å; S928-M932 PolarHBondContact O-N 2.85Å; F929-M932 CarbonylContact O-C 3.06Å; F929-M932 WeakPolarHBondContact O-CA 3.42Å; F929-M932 VanDerWaalsContact O-CB 3.32Å; F929-M932 WeakPolarHBondContact O-CB 3.27Å; F929-M932 PolarHBondContact O-N 3.48Å; D930-M932 PolarHBondContact O-N 3.38Å; M932-N934 PolarHBondContact O-N 3.4Å; M932-S935 WeakPolarHBondContact O-CB 3.31Å; M932-S935 PolarHBondContact O-N 3.03Å; M932-S935 PolarHBondContact O-OG 2.9Å
933M58.9Low52.1Low5 Ų570.5 Ų70.53%0.02540%0.4CS..Hα-helixtrans-64-41-177.1-66.2-58.7152.700112.3F73 M74 F929 D930 S935 I936F73-M933 HydrophobicContact CD1-CE 4.09Å; F73-M933 HydrophobicContact CE1-CE 3.63Å; F73-M933 HydrophobicContact CE1-SD 4.04Å; M74-M933 HydrophobicContact SD-CE 3.86Å; M74-M933 HydrophobicContact SD-SD 4.21Å; F929-M933 HydrophobicContact CD1-CG 4.16Å; F929-M933 HydrophobicContact CD2-CE 4.13Å; F929-M933 HydrophobicContact CE1-CE 4.35Å; F929-M933 HydrophobicContact CE1-CG 4Å; F929-M933 HydrophobicContact CE2-CE 3.67Å; F929-M933 HydrophobicContact CZ-CE 3.81Å; F929-M933 HydrophobicContact CZ-CG 4.36Å; F929-M933 WeakPolarHBondContact O-CG 3.49Å; F929-M933 PolarHBondContact O-N 3.01Å; D930-M933 PolarHBondContact O-N 3.28Å; M933-S935 PolarHBondContact O-N 3.32Å; M933-I936 PolarHBondContact O-N 2.96Å; M933-I936 HydrophobicContact SD-CD1 4.29Å
934N53.4Low51.7Low90 Ų9068.6 Ų68.648%0.48141%0.405SS..THydrogen-bonded Turntrans-60.4-12.4172.5-73.4-45.6000113.8S94 D930 M932S94-N934 WeakPolarHBondContact CA-OD1 3.33Å; S94-N934 WeakPolarHBondContact CB-OD1 3.38Å; D930-N934 VanDerWaalsContact O-CB 3.23Å; D930-N934 WeakPolarHBondContact O-CB 3.36Å; D930-N934 VanDerWaalsContact O-CG 3.24Å; D930-N934 PolarHBondContact O-N 3.3Å; D930-N934 PolarHBondContact O-ND2 2.93Å; M932-N934 PolarHBondContact O-N 3.4Å
935S52.6Low51Low35 Ų3567.1 Ų67.125%0.24540%0.401CS..THydrogen-bonded Turntrans-96.9-0.9174.782.40000114.7K59 M932 M933K59-S935 PolarHBondContact NZ-O 3.15Å; M932-S935 WeakPolarHBondContact O-CB 3.31Å; M932-S935 PolarHBondContact O-N 3.03Å; M932-S935 PolarHBondContact O-OG 2.9Å; M933-S935 PolarHBondContact O-N 3.32Å
936I57.3Low50.1Low46 Ų4669.6 Ų69.624%0.23641%0.412CS..  trans-110.484-178.7-52.6176.9000109.4M74 M933 I938M74-I936 HydrophobicContact CE-CD1 3.85Å; M74-I936 HydrophobicContact SD-CD1 4.26Å; M933-I936 PolarHBondContact O-N 2.96Å; M933-I936 HydrophobicContact SD-CD1 4.29Å; I936-I938 HydrophobicContact CG2-CD1 4.11Å; I936-I938 HydrophobicContact CG2-CG1 3.99Å
937D46.5Very low49.1Very low85 Ų8574.4 Ų74.446%0.45543%0.432SS..  trans-77.9124.3172.1-162.2-23.5000110.4N93 T939N93-D937 VanDerWaalsContact ND2-CG 3.34Å; N93-D937 PolarHBondContact ND2-OD1 2.9Å; D937-T939 WeakPolarHBondContact OD1-CB 3.3Å; D937-T939 VanDerWaalsContact OD1-CG2 3.3Å; D937-T939 WeakPolarHBondContact OD1-CG2 3.28Å; D937-T939 PolarHBondContact OD1-N 3.11Å; D937-T939 PolarHBondContact OD1-OG1 3.4Å
938I55.1Low47.7Very low9 Ų975.5 Ų75.55%0.04644%0.436CS..  trans-108.22.6-179.6-57.8-160.8000111.7R82 L85 I936 T940 F941R82-I938 HydrophobicContact CG-CG2 3.78Å; L85-I938 HydrophobicContact CD1-CB 4.12Å; L85-I938 HydrophobicContact CD1-CG2 4.41Å; I936-I938 HydrophobicContact CG2-CD1 4.11Å; I936-I938 HydrophobicContact CG2-CG1 3.99Å; I938-T940 PolarHBondContact O-N 3.44Å; I938-F941 HydrophobicContact CB-CD2 4.33Å; I938-F941 HydrophobicContact CG2-CB 4.38Å; I938-F941 HydrophobicContact CG2-CD2 3.76Å; I938-F941 HydrophobicContact CG2-CE2 4.47Å; I938-F941 HydrophobicContact CG2-CG 4.36Å; I938-F941 WeakPolarHBondContact O-CD2 3.49Å; I938-F941 PolarHBondContact O-N 3.36Å; I938-F941 VanDerWaalsContact O-N 3.17Å
939T47.9Very low46.1Very low48 Ų4877 Ų7729%0.29444%0.438SS..G310 helixtrans-59.8-29177.356.30000113.6L85 D937 F941 L942L85-T939 HydrophobicContact CD1-CG2 4.26Å; L85-T939 HydrophobicContact CD2-CG2 4.29Å; D937-T939 WeakPolarHBondContact OD1-CB 3.3Å; D937-T939 VanDerWaalsContact OD1-CG2 3.3Å; D937-T939 WeakPolarHBondContact OD1-CG2 3.28Å; D937-T939 PolarHBondContact OD1-N 3.11Å; D937-T939 PolarHBondContact OD1-OG1 3.4Å; T939-F941 PolarHBondContact O-N 2.92Å; T939-L942 PolarHBondContact O-N 3.49Å
940T46.7Very low45.3Very low77 Ų7782.9 Ų82.947%0.47247%0.466SS..G310 helixtrans-67.92178.1-210000114.6K58 I938K58-T940 HydrophobicContact CD-CG2 4.47Å; K58-T940 WeakPolarHBondContact CD-O 3.35Å; K58-T940 PolarHBondContact NZ-O 3.02Å; I938-T940 PolarHBondContact O-N 3.44Å
941F42.9Very low44.4Very low43 Ų4388.9 Ų88.919%0.18949%0.492CS..G310 helixtrans-101.62.1177.6-67.9-87000114E56 K58 R82 I938 T939 P943E56-F941 HydrophobicContact CB-CE1 4.32Å; E56-F941 VanDerWaalsContact O-CE1 3.23Å; E56-F941 WeakPolarHBondContact O-CE1 3.38Å; E56-F941 VanDerWaalsContact O-CZ 3.28Å; E56-F941 WeakPolarHBondContact O-CZ 3.49Å; K58-F941 HydrophobicContact CD-CD1 4.36Å; K58-F941 HydrophobicContact CD-CE1 4.21Å; K58-F941 HydrophobicContact CG-CE1 4.09Å; K58-F941 HydrophobicContact CG-CZ 4.22Å; R82-F941 VanDerWaalsContact NH2-CD1 3.27Å; I938-F941 HydrophobicContact CB-CD2 4.33Å; I938-F941 HydrophobicContact CG2-CB 4.38Å; I938-F941 HydrophobicContact CG2-CD2 3.76Å; I938-F941 HydrophobicContact CG2-CE2 4.47Å; I938-F941 HydrophobicContact CG2-CG 4.36Å; I938-F941 WeakPolarHBondContact O-CD2 3.49Å; I938-F941 PolarHBondContact O-N 3.36Å; I938-F941 VanDerWaalsContact O-N 3.17Å; T939-F941 PolarHBondContact O-N 2.92Å; F941-P943 WeakPolarHBondContact O-CD 3.37Å
942L41.7Very low43.2Very low48 Ų4891.9 Ų91.925%0.25150%0.495SS..  trans-70.1124.2173.2-69.1173000111.2T939 G944 T945T939-L942 PolarHBondContact O-N 3.49Å; L942-G944 PolarHBondContact O-N 3.04Å; L942-T945 HydrophobicContact CB-CG2 4.24Å
943P36.4Very low41.8Very low134 Ų13494.8 Ų94.887%0.8751%0.512SS*.THydrogen-bonded Turntrans-66.5125.7169.7-17.231.6000110F941F941-P943 WeakPolarHBondContact O-CD 3.37Å
944G40.3Very low40.5Very low65 Ų65103.5 Ų103.567%0.6755%0.553SS**THydrogen-bonded Turntrans116.9-14.9176.100000115.6L942 F946L942-G944 PolarHBondContact O-N 3.04Å; G944-F946 PolarHBondContact O-N 3.49Å
945T33.3Very low39.3Very low97 Ų97103.6 Ų103.660%0.59556%0.561SS**  trans-81.659.8176.763.90000112.4L942 Q947L942-T945 HydrophobicContact CB-CG2 4.24Å; T945-Q947 PolarHBondContact O-N 3.21Å
946F30.5Very low38.3Very low184 Ų184109.1 Ų109.181%0.80759%0.586SS**  trans-81100.3167.1-80.1-84.3000109.6G944G944-F946 PolarHBondContact O-N 3.49Å
947Q33.5Very low37Very low170 Ų170115 Ų11579%0.79461%0.612SS**  trans-85.7107.8150.8-78.5-173.4-57.300107.5T945 N949T945-Q947 PolarHBondContact O-N 3.21Å; Q947-N949 PolarHBondContact O-N 2.85Å
948T29.9Very low36.1Very low105 Ų105117.6 Ų117.664%0.64463%0.626SS**  trans-72.278.2173.945.30000109.6E950T948-E950 PolarHBondContact O-N 3.32Å
949N32.5Very low34.9Very low104 Ų104124.3 Ų124.356%0.55666%0.662SS**  trans-76.558.2175-71.52.6000111.1Q947 E951Q947-N949 PolarHBondContact O-N 2.85Å; N949-E951 PolarHBondContact O-N 3.33Å
950E37.6Very low34.1Very low168 Ų168132 Ų13279%0.78569%0.687SS**THydrogen-bonded Turntrans-72.8-8.7178-65.2-177.511700112.6T948T948-E950 PolarHBondContact O-N 3.32Å
951E34.9Very low33.3Very low189 Ų189136.6 Ų136.688%0.88371%0.709SS**THydrogen-bonded Turntrans-9815.3-177.8-61.1-170.2122.900115.1N949N949-E951 PolarHBondContact O-N 3.33Å
952Q33.9Very low32.8Very low128 Ų128141.1 Ų141.160%0.59874%0.735SS**SBendtrans-122.6-8.6-175.1-144.2164.34500117.9
953D31.6Very low32.3Very low161 Ų161144.6 Ų144.686%0.86176%0.758SS**THydrogen-bonded Turntrans-88.55.6174.3-81.8-33.9000114.3
954Q31.7Very low32.1Very low187 Ų187145.6 Ų145.687%0.87475%0.751SS**THydrogen-bonded Turntrans-94.17.4175.7-66.1-173.1200114.7
955S29.1Very low31.6Very low93 Ų93149.2 Ų149.265%0.6575%0.754SS**SBendtrans-139.422.2-174.761.50000116.1
956I31.3Very low31.4Very low151 Ų151148.7 Ų148.777%0.77475%0.748SS**  trans-131.555.4169-40.3-179.8000110.9
957H29.6Very low31.5Very low169 Ų169143.4 Ų143.478%0.78273%0.733SS**  trans-120.1149.8156.1-152.4-77.2000107.9
958N27.7Very low31.3Very low140 Ų140143.1 Ų143.175%0.74973%0.726SS**  trans72.689.4-175.5-43.2-26.1000114.4
959D30.6Very low31.4Very low150 Ų150140.6 Ų140.680%0.80271%0.709SS**  -157152.1126.2-122.1-22.7000110.6
960Y30Very low31.4Very low208 Ų208142.6 Ų142.682%0.81672%0.715SS**  trans5969.1-179.9-66.5-76.6000118
961N30Very low31.1Very low174 Ų174141.4 Ų141.493%0.9371%0.709SS**  trans-129.2105.7132.8-98.8-37.6000107.5
962D32.2Very low31Very low138 Ų138138.5 Ų138.574%0.73870%0.704SS**  trans-144.3114.7177.7-157.1-8.7000110.7
963V31.9Very low30.8Very low121 Ų121138.3 Ų138.373%0.73371%0.707SS**  trans171.6103.8130.5157.90000108.3
964Q32.3Very low30.9Very low156 Ų156137 Ų13773%0.72970%0.7SS**  trans32.9145.8133.3-47.4-179.3-0.600120.1
965L29.4Very low30.9Very low141 Ų141134.2 Ų134.274%0.73869%0.691SS**  cis-144.9146.429.1-91.797.3000110.6
966N29.5Very low31.2Very low86 Ų86137.7 Ų137.746%0.4670%0.697SS.*  87.516866-97.7-5.3000116.5N702N702-N966 VanDerWaalsContact OD1-CB 3.22Å; N702-N966 WeakPolarHBondContact OD1-CB 3.05Å; N702-N966 PolarHBondContact OD1-ND2 3.22Å; N702-N966 PolarHBondContact OD1-OD1 2.92Å
967S31.8Very low31.3Very low72 Ų72138.4 Ų138.450%0.50370%0.697SS.*  trans71.5118.5-178-62.90000120.6C701 N702C701-S967 VanDerWaalsContact CB-O 3.3Å; C701-S967 WeakPolarHBondContact CB-O 3.49Å; C701-S967 PolarHBondContact SG-O 3.44Å; N702-S967 VanDerWaalsContact CB-CA 3.41Å; N702-S967 PolarHBondContact OD1-N 3.28Å
968Y29.9Very low31.4Very low164 Ų164138.1 Ų138.164%0.64370%0.696SS**  cis-166.279.16.2-140.2-62.5000119.5C701 N702C701-Y968 CarbonylContact O-C 3.56Å; C701-Y968 WeakPolarHBondContact O-CA 3.28Å; C701-Y968 PolarHBondContact O-N 3.07Å; C701-Y968 VanDerWaalsContact O-N 3.12Å; N702-Y968 HydrophobicContact CB-CG 4.5Å; N702-Y968 WeakPolarHBondContact ND2-CD2 3.22Å; N702-Y968 WeakPolarHBondContact ND2-CE2 3.3Å
969N32.7Very low31.6Very low52 Ų52138.3 Ų138.328%0.27869%0.692SS.*  trans60.6133132.5-145.7-7.3000125.3C701 N702C701-N969 PolarHBondContact O-N 2.8Å; N702-N969 HydrophobicContact CB-CB 4.43Å
970H32Very low31.5Very low147 Ų147138.4 Ų138.468%0.68169%0.685SS**  159.7129.8126.9-86.3-44.2000114.2
971Q31.9Very low31.6Very low143 Ų143135.3 Ų135.367%0.66868%0.68SS**  68.9138.781-117.8101.731.700114.2
972T31.1Very low31.8Very low128 Ų128133.8 Ų133.879%0.78567%0.665SS**  cis-154.3170.615.739.20000109.2
973N31.1Very low32Very low123 Ų123134.4 Ų134.466%0.65867%0.666SS**  cis161.1164.3-18.2-147.973.3000106.2
974N32.5Very low32.2Very low133 Ų133132.9 Ų132.971%0.71165%0.653SS**  trans78.4155.3168.3-44.8-10.1000119.1
975D32Very low32.3Very low129 Ų129133 Ų13369%0.6965%0.654SS**  cis-178.6167.7-47.2-102.5-44.3000111.5
976H35.5Very low32.6Very low167 Ų167135.7 Ų135.777%0.77366%0.66SS**  trans104.598.6159.6-57.588.7000122.1
977H33.8Very low32.8Very low165 Ų165138.9 Ų138.976%0.76468%0.677SS**  22.8126.1122.1-72.4-90.3000123.6
978H32.5Very low33.1Very low164 Ų164139 Ų13976%0.75969%0.69SS**  -177.9133.3112.9-95.3-69.8000106.9
979E30.6Very low33.3Very low143 Ų143135.7 Ų135.767%0.66869%0.691SS**  cis69.2108.843.2-160-161-169.600114.7
980F28.3Very low33.4Very low152 Ų152138.9 Ų138.967%0.66772%0.716SS**  -173.5150122.5-118.1-119.3000114.9
981M33.5Very low33.5Very low144 Ų144138.9 Ų138.971%0.70972%0.716SS**  trans11.2136.9162.4-63.2179.5179.200121.7
982K33.1Very low33.5Very low141 Ų141138.8 Ų138.861%0.61372%0.715SS**  cis84.512438.3-162.5-140.8-176-137.80114.5D984K982-D984 WeakPolarHBondContact CE-OD1 3.33Å; K982-D984 IonicContact NZ-OD1 2.91Å; K982-D984 PolarHBondContact NZ-OD1 2.69Å; K982-D984 IonicContact NZ-OD2 2.69Å; K982-D984 PolarHBondContact NZ-OD2 2.91Å
983M36.1Very low33.4Very low152 Ų152139.2 Ų139.275%0.74971%0.711SS**  trans174.2157.5143.6-87.3-6.2-150.400108.8
984D36.1Very low33.4Very low89 Ų89139.4 Ų139.448%0.47671%0.711SS.*  cis161.3142.5-29.2-91.712000105.6K982K982-D984 WeakPolarHBondContact CE-OD1 3.33Å; K982-D984 IonicContact NZ-OD1 2.91Å; K982-D984 PolarHBondContact NZ-OD1 2.69Å; K982-D984 IonicContact NZ-OD2 2.69Å; K982-D984 PolarHBondContact NZ-OD2 2.91Å
985E34.1Very low33.3Very low159 Ų159139.2 Ų139.274%0.74371%0.71SS**  cis-159.2-144.6-1.4-162.1154-113.300108.4
986F36.5Very low33.2Very low196 Ų196139.5 Ų139.586%0.8671%0.711SS**  trans79143.1170.8-74.6-90.9000121.4
987D34.6Very low32.9Very low154 Ų154136.7 Ų136.782%0.82471%0.706SS**  171.5160.8-58.6178.736.8000109.2
988G37.5Very low32.7Very low75 Ų75136.3 Ų136.377%0.77371%0.706SS**  trans153.474.5170.300000116.7
989S33.3Very low32.6Very low94 Ų94134.2 Ų134.266%0.65771%0.705SS**  trans-105.4148.5178.4-179.80000114
990C34.5Very low32.6Very low119 Ų119133 Ų13380%0.80471%0.707SS**  trans-174.1130142.1-94.90000110.3
991H34.9Very low32.8Very low147 Ų147131.1 Ų131.168%0.68171%0.709SS**  73.2138.264.3-86.5-91.4000114.1
992H31.3Very low32.7Very low140 Ų140130.5 Ų130.565%0.64871%0.713SS**  cis-168.4-178.8-2.2-153.329.8000111
993I30.1Very low32.7Very low138 Ų138127.8 Ų127.871%0.70872%0.717SS**  trans69151.3156.1-72156.1000118
994I31Very low32.6Very low126 Ų126124.5 Ų124.565%0.64671%0.705SS**  cis-173.2145.3-46.2-113.5165000108
995N30.4Very low32.5Very low130 Ų130124.5 Ų124.570%0.69571%0.709SS**  trans61.8137.2157.9-8337.3000124.8
996D29.1Very low32.4Very low135 Ų135120.4 Ų120.472%0.72269%0.694SS**  109.6139.9120.9-92.2-42000124.4
997V29.5Very low32.2Very low108 Ų108116.4 Ų116.466%0.65569%0.686SS**  trans75100.2147.3170.50000121.1
998M28.9Very low32.5Very low156 Ų156114 Ų11477%0.76868%0.679SS**  72.9138.3129.5-69.1-172.2-176.500123.9
999T30.2Very low32.2Very low120 Ų120116.7 Ų116.774%0.73668%0.68SS**  trans67.9143143.354.40000118.8
1000T30.8Very low32.2Very low117 Ų117115.7 Ų115.772%0.71868%0.678SS**  cis-161.5156.14.7-00000112.8
1001T32.3Very low32.1Very low114 Ų114116.6 Ų116.670%0.69968%0.68SS**  trans68.6105.8138.8-55.40000122.5
1002T32.1Very low31.9Very low131 Ų131114.2 Ų114.280%0.80468%0.68SS**  18.3162.4127.667.40000122.1
1003A33.7Very low31.9Very low83 Ų83112.2 Ų112.269%0.68668%0.682SS**  cis-171.9-177.217.900000111
1004V33.3Very low31.9Very low84 Ų84111 Ų11151%0.50969%0.686SS.*  cis-173119.7-321380000113S428 Y429S428-V1004 CarbonylContact C-O 3.44Å; S428-V1004 WeakPolarHBondContact CA-O 3.37Å; S428-V1004 PolarHBondContact N-O 2.8Å; Y429-V1004 PolarHBondContact N-O 3.4Å; Y429-V1004 VanDerWaalsContact N-O 3.16Å; Y429-V1004 CarbonylContact O-C 3.58Å
1005T33.3Very low31.7Very low89 Ų89109.3 Ų109.355%0.54669%0.685SS.*  trans51160.8136.2-31.20000125S428 Y429S428-T1005 CarbonylContact C-O 2.94Å; S428-T1005 WeakPolarHBondContact CA-O 3.28Å; Y429-T1005 PolarHBondContact N-O 2.9Å; Y429-T1005 PolarHBondContact O-N 3.12Å
1006T32.8Very low31.7Very low72 Ų72112.6 Ų112.644%0.44269%0.693SS.*  trans82126.6163.567.40000118.8Y429Y429-T1006 WeakPolarHBondContact CD1-O 3.19Å; Y429-T1006 VanDerWaalsContact CE1-O 3.24Å; Y429-T1006 WeakPolarHBondContact CE1-O 3.05Å
1007T33.5Very low31.7Very low112 Ų112113.9 Ų113.969%0.68770%0.697SS**  cis61.6157.344.267.10000115.7
1008P39.5Very low31.7Very low103 Ų103114.9 Ų114.967%0.66970%0.699SS**  cis-138.9-165.9-2.935.9-12.8000116.6
1009T32.7Very low31.8Very low132 Ų132115.9 Ų115.981%0.8170%0.699SS**  trans68.3152.6150.839.30000121.1
1010A32.2Very low31.8Very low74 Ų74114.6 Ų114.661%0.61269%0.694SS**  cis-163.2-178.6-8.300000112
1011T31.7Very low31.8Very low138 Ų138114.7 Ų114.785%0.84770%0.695SS**  trans65.8147.6162.549.60000119.6
1012S32.4Very low31.7Very low96 Ų96116.2 Ų116.267%0.67170%0.699SS**  cis-166.9161.4-16.852.50000113.5
1013S30.2Very low31.6Very low98 Ų98114.6 Ų114.669%0.68569%0.693SS**  trans64.4126.914357.90000123.6
1014S30.2Very low31.5Very low114 Ų114119.3 Ų119.380%0.79770%0.701SS**  trans77.2152.614889.30000118
1015S28Very low31.2Very low89 Ų89120.7 Ų120.762%0.62271%0.709SS**  cis-169.2-176.7-19.346.90000111.3
1016F29.3Very low31.1Very low199 Ų199126.7 Ų126.787%0.87372%0.723SS**  trans79.5159.7170.8-75-80.1000119.3
1017M28.9Very low30.9Very low163 Ų163130.4 Ų130.480%0.80374%0.741SS**  trans-135.1162.2-151.8-55.8157.261.600112.4
1018N29.5Very low30.9Very low128 Ų128131.9 Ų131.968%0.68475%0.749SS**  trans89.3145.1136.2-136.5-17.3000119.4
1019K30.4Very low30.4Very low178 Ų178132.8 Ų132.877%0.77475%0.752SS**  trans70.2146.5165.8-57.8175.1-176.3175.70116.9
1020S30.7Very low30.3Very low92 Ų92135.1 Ų135.164%0.64375%0.751SS**  cis-171.8164.9-16.9-1030000111.8
1021T30.8Very low30.3Very low120 Ų120135.7 Ų135.774%0.73675%0.751SS**  trans70.5148.5146.744.70000122.6
1022N29.9Very low30.5Very low146 Ų146135.2 Ų135.278%0.78174%0.743SS**  trans69.6128.1167.5-61.1-34.7000117.3
1023S30.6Very low30.6Very low97 Ų97138 Ų13868%0.67875%0.749SS**  cis83.296.126.4-168.70000115.7
1024Q31.8Very low30.5Very low181 Ų181140 Ų14085%0.84675%0.752SS**  trans-165.1122.3134.1-102.8160.548.100107.9
1025V27.6Very low30.6Very low113 Ų113145.5 Ų145.569%0.68576%0.757SS**  63.2112.295.7176.10000113.4
1026Y31Very low30.6Very low216 Ų216147.2 Ų147.285%0.84776%0.759SS**  -166.2127.3119.4-111-72.1000112
1027N28Very low30.7Very low150 Ų150142.2 Ų142.280%0.80275%0.749SS**  trans-89144.9162.6-80.5-19.5000109.3
1028V33.4Very low30.8Very low142 Ų142141.6 Ų141.686%0.86174%0.744SS**  trans-134.3136.7160-179.70000108.4
1029V28.4Very low30.9Very low122 Ų122142.8 Ų142.874%0.73975%0.745SS**  trans-126.8137.1-173.4173.80000109.9
1030K31.8Very low30.7Very low182 Ų182141.4 Ų141.479%0.79174%0.741SS**  trans-176.6121.5151.8-99.7176.1174-159.10106.2
1031S32.3Very low30.6Very low86 Ų86143.7 Ų143.760%0.60174%0.741SS**  cis81.3157.942.888.70000114.5
1032D35.9Very low30.4Very low127 Ų127144.3 Ų144.368%0.67974%0.736SS**  trans89.5132.3174-494.5000113.5
1033I34.1Very low30.3Very low154 Ų154146 Ų14679%0.7973%0.732SS**  cis-152.8149.1-0.8-111.7159.7000110.2
1034D27Very low30.1Very low142 Ų142148.7 Ų148.776%0.75974%0.738SS**  trans-77159.7173.8-61.8-81.6000114.2
1035Y33.8Very low29.9Very low229 Ų229143.4 Ų143.490%0.89873%0.732SS**  trans-148.9141.5138.1-135.1-94.2000114.5
1036N28.5Very low29.9Very low124 Ų124144.8 Ų144.866%0.66374%0.736SS**  trans-75.2169178.6-84.4-77.3000111.4
1037S30.8Very low29.8Very low95 Ų95139.3 Ų139.366%0.66473%0.725SS**  -175.3133.858.7-1140000116.8
1038H30.7Very low29.9Very low150 Ų150140.5 Ų140.569%0.69473%0.728SS**  71146.7126.7-76.779.3000124.7
1039H31.1Very low29.7Very low152 Ų152138.5 Ų138.570%0.70471%0.712SS**  trans66.6112.7163-85.7-80.3000119.3
1040H27.3Very low29.9Very low150 Ų150140.4 Ų140.469%0.69472%0.715SS**  cis83.512523-162.812.3000115.2
1041Q28.2Very low30Very low140 Ų140136.6 Ų136.665%0.65470%0.703SS**  trans84.8149.7175.3-53.9-169.27.100115.5
1042H26.9Very low30Very low133 Ų133140 Ų14062%0.61671%0.709SS**  cis-161.7156.2-14.2-125.1-151000111.3
1043Y26.9Very low30Very low182 Ų182141 Ų14171%0.71471%0.71SS**  trans66.9141.6143.3-87.9-144000123.2
1044L27.2Very low29.8Very low153 Ų153139.4 Ų139.480%0.80170%0.703SS**  trans43.6120.1144.7-53.5175.6000118.1
1045G27.3Very low30.2Very low70 Ų70143.3 Ų143.372%0.72271%0.707SS**  106.316468.900000109.4
1046N27.2Very low30Very low141 Ų141138.1 Ų138.175%0.75470%0.7SS**  cis-159.5146.1-0.1-155.441.2000109.5
1047T29.8Very low29.9Very low101 Ų101137.7 Ų137.762%0.6270%0.701SS**  trans39.9137.715057.80000122.8
1048M29.2Very low29.9Very low175 Ų175143.5 Ų143.586%0.86271%0.708SS**  144152.6126-74.7-134.8-169.400112.4
1049N29.7Very low29.7Very low100 Ų100144 Ų14454%0.53571%0.714SS.*  cis-167.7151.1-29.6-17831.5000107.5N1051N1049-N1051 PolarHBondContact ND2-OD1 2.97Å
1050M33.2Very low29.7Very low163 Ų163144.6 Ų144.680%0.80372%0.721SS**  trans162.1138.4145.9-82.6-32.1169.700109.1
1051N32.2Very low29.8Very low102 Ų102142 Ų14255%0.54572%0.72SS.*  cis-168.7158.7-38.7-122-5.8000107.8N1049N1049-N1051 PolarHBondContact ND2-OD1 2.97Å
1052H33.9Very low30.2Very low157 Ų157141.3 Ų141.373%0.72773%0.728SS**  trans86.2129.7178.3-61.1-83.1000117.8
1053E34.8Very low30.2Very low149 Ų149141.7 Ų141.770%0.69673%0.733SS**  cis165.8153.6-13-111.1-160.1125.700104.8
1054N31.4Very low30.4Very low120 Ų120140.2 Ų140.264%0.64273%0.733SS**  cis-165.2172.4-18.5-143.2-29000109.1
1055R34.1Very low30.6Very low224 Ų224141 Ų14185%0.84573%0.73SS**  trans71126.1175.4-63.7179.2173.5173-2.2116.7
1056T29.1Very low30.7Very low120 Ų120143.9 Ų143.974%0.73673%0.734SS**  cis74.5140.86.3100.80000115.7
1057V27.9Very low30.9Very low115 Ų115140.8 Ų140.870%0.69773%0.727SS**  cis-167.7172.10.298.70000112.6
1058R31Very low31Very low216 Ų216144.4 Ų144.482%0.81574%0.735SS**  trans79.2133.5176.8-41-172.4-172.3162.25.1115
1059I25.7Very low31.1Very low160 Ų160143.3 Ų143.382%0.82173%0.727SS**  cis75.6110.325.9-50.2174.6000115.2
1060I31.6Very low31.2Very low165 Ų165143.1 Ų143.185%0.84673%0.734SS**  trans-169.2145.8140.8-97.1150000107.8
1061S28Very low31.2Very low95 Ų95140.5 Ų140.566%0.66473%0.731SS**  trans-97.8174.6178.954.60000112.6
1062P37.5Very low31.2Very low127 Ų127140.5 Ų140.583%0.82574%0.739SS**  -143.3162.311637.9-24.9000115.7
1063L26.5Very low31.2Very low140 Ų140140.3 Ų140.373%0.73374%0.743SS**  trans-94.3167165-88.188.5000111.2
1064Q31.9Very low31Very low152 Ų152139.1 Ų139.171%0.7175%0.746SS**  trans71.4158.5157.3-75.7173.225.500115
1065K30.4Very low31.1Very low168 Ų168144 Ų14473%0.7376%0.757SS**  cis-164.8165.914.8-138.1168-176.7156.70111.9
1066V30.5Very low31Very low132 Ų132137.1 Ų137.180%0.874%0.743SS**  trans70.3145.4156.1172.30000117
1067A30.1Very low31.2Very low75 Ų75140.2 Ų140.262%0.6275%0.749SS**  cis-178.1178.7-31.300000109.1
1068K33.2Very low31.7Very low178 Ų178139.4 Ų139.477%0.77475%0.746SS**  trans76.8148.9158.5-63.2175.6169.5-173.10117.4
1069Q31.6Very low31.7Very low152 Ų152135 Ų13571%0.7174%0.744SS**  cis-161.4136-14.6-121.5169.3-52.100114.1
1070S31.1Very low32Very low95 Ų95132.5 Ų132.566%0.66474%0.74SS**  trans61.1149.1138.759.10000125.5
1071S32.8Very low32Very low108 Ų108129.3 Ų129.376%0.75573%0.732SS**  trans74.5142.3151.233.60000120.1
1072S33Very low32.2Very low102 Ų102130.1 Ų130.171%0.71374%0.738SS**  cis-171163.6-6.347.50000114.8
1073L33.2Very low32Very low154 Ų154130.2 Ų130.281%0.80674%0.741SS**  trans83.7126.6173.6-53.4174.2000115.9
1074T30.3Very low32.3Very low123 Ų123129.2 Ų129.276%0.75575%0.746SS**  cis91.297.3-7.283.20000122.4
1075Y32.7Very low32.4Very low222 Ų222127.4 Ų127.487%0.87175%0.75SS**  trans-161.6113.9146.3-132.2-107.2000109.2
1076S33Very low32.5Very low80 Ų80124.6 Ų124.656%0.55975%0.752SS**  67.910988.1-49.20000114.8
1077H34Very low32.8Very low186 Ų186126.5 Ų126.586%0.86176%0.757SS**  73.2158.177.5-85.9-51.2000115.5
1078P38.1Very low32.9Very low97 Ų97131.8 Ų131.863%0.6377%0.769SS**  cis-144.4170.2-28.241.5-23.4000117.1
1079T30.4Very low33Very low125 Ų125126.6 Ų126.677%0.76777%0.766SS**  trans31.8138.7144620000125.2
1080S31.2Very low33.2Very low107 Ų107125.8 Ų125.875%0.74877%0.771SS**  133.2146.8114.7690000121
1081S32.9Very low33.2Very low98 Ų98129.8 Ų129.869%0.68578%0.78SS**  trans63.9104.6148.359.30000124.4
1082S31Very low33.1Very low111 Ų111129.9 Ų129.978%0.77678%0.779SS**  34.8136.1121.564.70000123.7
1083S34.7Very low33.3Very low129 Ų129129.3 Ų129.390%0.90278%0.775SS**  trans-170.4170.5132.639.50000112.2
1084S31.7Very low33.3Very low119 Ų119128.3 Ų128.383%0.83278%0.775SS**  trans-139.4148.2-16855.50000114.7
1085S35.3Very low33.5Very low114 Ų114127.2 Ų127.280%0.79777%0.772SS**  trans-171.5132.5160.843.30000108.4
1086S32.1Very low33.5Very low109 Ų109123.6 Ų123.676%0.76277%0.768SS**  cis78.7105.242.1-172.40000114.2
1087L36.1Very low33.4Very low172 Ų172127.2 Ų127.290%0.90178%0.78SS**  trans-159.5160.2149-109.9166.1000110.1
1088Q33.2Very low33.4Very low187 Ų187122.6 Ų122.687%0.87477%0.769SS**  trans-127.1159.9-160.9-60.7164.5-49.700112.6
1089G34.6Very low33.1Very low69 Ų69123.1 Ų123.171%0.71177%0.774SS**  trans-170.6100.9171.500000115.8
1090T35.5Very low33.2Very low134 Ų134121.9 Ų121.982%0.82277%0.771SS**  trans20.8120.3152.453.30000120.3
1091Q31.9Very low33.2Very low180 Ų180121.3 Ų121.384%0.84177%0.767SS**  91.4151.650-78.9-145.839.600116.8
1092C30.6Very low33.2Very low110 Ų110121.8 Ų121.874%0.74377%0.77SS**  trans76.5140.8171.9-63.70000117.9
1093S36.1Very low33.2Very low90 Ų90121 Ų12163%0.62977%0.765SS**  cis-169.9145.7-11.3-97.10000111.5
1094T33.6Very low32.9Very low132 Ų132119.2 Ų119.281%0.8175%0.752SS**  trans56.3152.414855.70000119.4
1095S33.9Very low32.8Very low100 Ų100119 Ų11970%0.69975%0.75SS**  cis-178.9162.37.534.20000108
1096L32.7Very low32.5Very low147 Ų147118.3 Ų118.377%0.7775%0.746SS**  cis-172161.6-10.7-106.8170.4000108.8
1097L32.9Very low32.4Very low155 Ų155118 Ų11881%0.81274%0.744SS**  trans67.2146.6159.8-63.2160.7000118
1098S32.5Very low32Very low90 Ų90115.6 Ų115.663%0.62974%0.736SS**  cis-170.9143.1-1248.40000114.1
1099S31.7Very low31.8Very low107 Ų107113.6 Ų113.675%0.74873%0.73SS**  trans56.7145.6142.358.70000122.4
1100S32.1Very low31.6Very low99 Ų99121 Ų12169%0.69274%0.737SS**  cis-175.6171.5-14.353.30000111.7
1101S32Very low31.3Very low95 Ų95122.9 Ų122.966%0.66474%0.738SS**  trans60.7108.8141.559.10000119.5
1102S32.1Very low31.4Very low108 Ų108122 Ų12276%0.75574%0.739SS**  94.5150.771.970.60000113.7
1103S30.9Very low31.5Very low96 Ų96121.1 Ų121.167%0.67174%0.735SS**  cis-175.4168.2-16.452.80000110.5
1104S30Very low31.3Very low90 Ų90124.1 Ų124.163%0.62974%0.743SS**  trans55.7122.8140.663.80000122.6
1105S29Very low31.1Very low114 Ų114124.8 Ų124.880%0.79774%0.736SS**  59151.3113.7-49.80000121.6
1106S29.7Very low31.1Very low100 Ų100126.7 Ų126.770%0.69973%0.734SS**  cis-174.8-171.4-16.156.70000109.2
1107S28.3Very low31.1Very low103 Ų103126 Ų12672%0.7273%0.73SS**  trans86.5138145.3-61.20000122.9
1108V29Very low30.9Very low121 Ų121124.8 Ų124.873%0.73372%0.724SS**  trans91.3103.2132.5157.70000121.7
1109L28.2Very low30.9Very low145 Ų145126.1 Ų126.176%0.75972%0.724SS**  trans62.4161138.2-52.7179.1000118.5
1110R30.1Very low31Very low225 Ų225128.6 Ų128.685%0.84973%0.729SS**  cis-156.9160.322.8-153175.1-159.7125.6-0.9111.5
1111M31.1Very low31.2Very low173 Ų173129.1 Ų129.185%0.85273%0.733SS**  trans-73.7151.2171.6-66.8173.717100113.2
1112N33.8Very low31.4Very low161 Ų161130 Ų13086%0.86174%0.737SS**  trans174.9155146.4-90.8-24.8000109.1
1113S32.8Very low31.5Very low92 Ų92132.5 Ų132.564%0.64374%0.736SS**  cis-174166.6-29.3-162.90000108.2
1114L30.5Very low31.3Very low154 Ų154134.1 Ų134.181%0.80674%0.736SS**  trans67.5148.5164.8-61.8-177.8000117.3
1115H30.6Very low31.3Very low145 Ų145135.9 Ų135.967%0.67175%0.747SS**  cis-162.3-169.8-16.8-167.2-116.3000109.3
1116E32.4Very low31.2Very low141 Ų141135.5 Ų135.566%0.65974%0.744SS**  trans95.290.6148.1-136.591.5-77.400119.8
1117L33.2Very low31.4Very low131 Ų131135.9 Ų135.969%0.68675%0.747SS**  41.5148.5128.2-45.7-179.8000121.3
1118L29.5Very low31.7Very low130 Ų130136.2 Ų136.268%0.68175%0.749SS**  cis-171.4174.5-12.4-110.7176.9000108.7
1119N31.9Very low32.1Very low118 Ų118136.6 Ų136.663%0.63175%0.752SS**  trans57.399.1150.5-65.8-9.9000120.1
1120N34.4Very low32.1Very low159 Ų159138.1 Ų138.185%0.8576%0.76SS**  168135.992.3-85.5-31.3000114.4
1121S34.6Very low32.2Very low111 Ų111131.5 Ų131.578%0.77675%0.753SS**  trans-127.4156.3159.7-161.30000106.3
1122P36.8Very low32.4Very low114 Ų114130.4 Ų130.474%0.7475%0.751SS**  -146.6-157.679.443.6-23.8000111.2
1123Q35.4Very low32.3Very low160 Ų160129.2 Ų129.275%0.74874%0.744SS**  cis-152.8171.76.1-136.4-43.151.100109.6
1124I25.6Very low32.2Very low130 Ų130132.2 Ų132.267%0.66775%0.753SS**  trans-123.8145.4169.2-62.5170000110.1
1125C29.6Very low32.2Very low126 Ų126130 Ų13085%0.85175%0.75SS**  trans-135.7149.6161.8-83.20000110.3
1126S28.6Very low32.4Very low106 Ų106130.8 Ų130.874%0.74176%0.758SS**  trans-145.8168.8-169.7-54.10000112.4
1127S32.1Very low32.5Very low109 Ų109130.9 Ų130.976%0.76276%0.764SS**  trans77.7121.3164.5-176.20000119.6
1128S36.1Very low32.4Very low109 Ų109134.7 Ų134.776%0.76277%0.774SS**  trans-161.2101.9131.3-80.90000111.7
1129T36.8Very low32.4Very low130 Ų130133 Ų13380%0.79877%0.774SS**  trans50.6136.8138.355.40000123.6
1130L28.1Very low32.2Very low176 Ų176132.9 Ų132.992%0.92178%0.782SS**  trans-77.1151.1164.6-64.283.3000112.6
1131A32.9Very low31.9Very low86 Ų86131.8 Ų131.871%0.71178%0.775SS**  trans-165.9161.4137.400000110.2
1132D35.1Very low31.7Very low150 Ų150134.8 Ų134.880%0.80278%0.775SS**  trans58149.4168.3-59.1-13.1000120.5
1133L31.6Very low31.5Very low136 Ų136136.3 Ų136.371%0.71278%0.775SS**  -172.1148.3-55.2-109.1170.5000108.1S1135L1133-S1135 PolarHBondContact O-N 3.14Å
1134D29.6Very low31.3Very low155 Ų155136.4 Ų136.483%0.82978%0.779SS**  trans11.788.9160-61.5-25.5000119.7
1135S31.5Very low31.8Very low107 Ų107138.1 Ų138.175%0.74878%0.782SS**  trans-158.5163.7148.7-151.90000112.5L1133L1133-S1135 PolarHBondContact O-N 3.14Å
1136L35.2Very low32Very low162 Ų162137.9 Ų137.985%0.84878%0.779SS**  trans67.969.9168.6-59.8169.3000117.7
1137D34.3Very low32.2Very low144 Ų144138.7 Ų138.777%0.7777%0.771SS**  56.8138.4118.8-152.76.2000121.5S1139D1137-S1139 PolarHBondContact O-N 2.8Å
1138K30.5Very low32.2Very low210 Ų210144.9 Ų144.991%0.91378%0.778SS**SBendtrans-89.264.3-163.8-65.9179.2179.7174.60113.6
1139S28.9Very low32.1Very low95 Ų95145.3 Ų145.366%0.66478%0.781SS**  trans-135.1140.616966.40000113.1D1137D1137-S1139 PolarHBondContact O-N 2.8Å
1140S28.1Very low31.8Very low116 Ų116145.4 Ų145.481%0.81178%0.781SS**  trans83.257.9172.4-43.40000119.4
1141L28.8Very low31.8Very low135 Ų135145 Ų14571%0.70778%0.779SS**  trans-155.7141.1158.4-95.2132.4000107.5I1143L1141-I1143 HydrophobicContact CD2-CD1 4.11Å
1142F30.7Very low31.9Very low175 Ų175148.5 Ų148.577%0.76881%0.807SS**  cis-124.4140.410-77.5-100.1000109.5
1143I32.3Very low31.8Very low145 Ų145148.4 Ų148.474%0.74481%0.808SS**  73.5141.775.7-61.2173.3000114.1L1141L1141-I1143 HydrophobicContact CD2-CD1 4.11Å
1144I30.2Very low31.8Very low162 Ų162149.1 Ų149.183%0.83181%0.813SS**  trans-97.5153.7-159.1-62169.2000112.7
1145K36.9Very low31.9Very low166 Ų166148.7 Ų148.772%0.72281%0.812SS**  trans-59.5160.4174.5-65.5-175.4171.2-170.30114.4
1146P33Very low31.9Very low122 Ų122151.2 Ų151.279%0.79282%0.816SS**  -120.4146.894.50.620.5000111.5
1147E32.6Very low31.7Very low123 Ų123150.5 Ų150.558%0.57581%0.814SS**  75.2127.957-73.3-65.9122.300114.8
1148W32.4Very low31.6Very low238 Ų238150.9 Ų150.990%0.90282%0.816SS**  trans74.9150172.7-46.8-15.5000115.6
1149S34.3Very low31.6Very low119 Ų119146.7 Ų146.783%0.83281%0.81SS**  cis-140.3164.520.851.80000114.9
1150V31.5Very low31.8Very low131 Ų131150.7 Ų150.779%0.79482%0.821SS**  trans-91.5157.5173.2163.50000109.8
1151L27.5Very low32.2Very low168 Ų168153.6 Ų153.688%0.8882%0.822SS**  trans75.295.6175.2-77157000117.7
1152A35.7Very low32.5Very low159 Ų159155.3 Ų155.3100%1.31483%0.832SS**  trans-136.70131.300000108.1

Retrieved 1,152 of 1,152 residues in 1314.8 ms (Link to these results)

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