A0A075BJR0_DROME Loading...

Stonewall

AlphaFold DB , UniProt , Accession A0A075BJR0, Species DROME (Drosophila melanogaster, Fruit fly), Gene stwl, Length 987 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
1E76.4Confident86.3Confident134 Ų134102.3 Ų102.363%0.62644%0.443SS*.  0-24.20-12.860.5-103.200115.7C3 K4 R5E1-C3 PolarHBondContact O-N 3.09Å; E1-C3 VanDerWaalsContact O-N 3.15Å; E1-K4 WeakPolarHBondContact O-CA 3.42Å; E1-K4 WeakPolarHBondContact O-CB 3.31Å; E1-K4 PolarHBondContact O-N 3.07Å; E1-R5 PolarHBondContact O-N 3.49Å; E1-R5 VanDerWaalsContact O-N 3.08Å
2K81.8Confident86.7Confident178 Ų178100.7 Ų100.777%0.77444%0.443SS*.Hα-helixtrans-43.8-51.2-169.9-66.2179.4-177.6173.80116.1K4 R5 R6K2-K4 PolarHBondContact O-N 3.17Å; K2-R5 WeakPolarHBondContact O-CB 3.37Å; K2-R5 PolarHBondContact O-N 2.67Å; K2-R6 PolarHBondContact O-N 2.81Å
3C74.4Confident87.1Confident82 Ų8296.8 Ų96.855%0.55443%0.43SS*.Hα-helixtrans-57.7-46.6175.8168.30000112.5E1 R5 R6 W7E1-C3 PolarHBondContact O-N 3.09Å; E1-C3 VanDerWaalsContact O-N 3.15Å; C3-R5 VanDerWaalsContact C-N 3.28Å; C3-R5 PolarHBondContact O-N 3.11Å; C3-R6 WeakPolarHBondContact O-CB 3.33Å; C3-R6 PolarHBondContact O-N 3.01Å; C3-W7 PolarHBondContact O-N 2.93Å
4K86.1Confident87.4Confident49 Ų4990.1 Ų90.121%0.21340%0.4CS..Hα-helixtrans-59.8-37.6176.8-60.5174.6177.7171.70111.6E1 K2 R8 A584 L585 T588E1-K4 WeakPolarHBondContact O-CA 3.42Å; E1-K4 WeakPolarHBondContact O-CB 3.31Å; E1-K4 PolarHBondContact O-N 3.07Å; K2-K4 PolarHBondContact O-N 3.17Å; K4-R8 WeakPolarHBondContact O-CB 3.41Å; K4-R8 WeakPolarHBondContact O-CD 3.46Å; K4-R8 WeakPolarHBondContact O-CG 3.36Å; K4-R8 PolarHBondContact O-N 3.14Å; K4-A584 WeakPolarHBondContact CE-O 3.42Å; K4-A584 PolarHBondContact NZ-O 3Å; K4-L585 HydrophobicContact CG-CD2 4.38Å; K4-T588 VanDerWaalsContact CD-OG1 3.27Å; K4-T588 WeakPolarHBondContact CD-OG1 3.3Å; K4-T588 WeakPolarHBondContact CE-OG1 3.38Å; K4-T588 PolarHBondContact NZ-OG1 3.46Å
5R88.8Confident87.6Confident154 Ų15486.3 Ų86.358%0.58139%0.387SS*.Hα-helixtrans-66.2-40.3173.5-169.3175.5-69.7133.44.2112.2E1 K2 C3 Q9E1-R5 PolarHBondContact O-N 3.49Å; E1-R5 VanDerWaalsContact O-N 3.08Å; K2-R5 WeakPolarHBondContact O-CB 3.37Å; K2-R5 PolarHBondContact O-N 2.67Å; C3-R5 VanDerWaalsContact C-N 3.28Å; C3-R5 PolarHBondContact O-N 3.11Å; R5-Q9 PolarHBondContact O-N 2.72Å; R5-Q9 VanDerWaalsContact O-N 3.11Å
6R89.3Confident87.8Confident131 Ų13189.6 Ų89.649%0.49440%0.396SS..Hα-helixtrans-66-45.6175.6-176.957.6170.3177.7-1.1112.2K2 C3 Q9 L10K2-R6 PolarHBondContact O-N 2.81Å; C3-R6 WeakPolarHBondContact O-CB 3.33Å; C3-R6 PolarHBondContact O-N 3.01Å; R6-Q9 WeakPolarHBondContact O-CB 3.41Å; R6-Q9 PolarHBondContact O-N 3.37Å; R6-Q9 VanDerWaalsContact O-N 3.13Å; R6-L10 WeakPolarHBondContact O-CB 3.29Å; R6-L10 PolarHBondContact O-N 3.35Å
7W89.9Confident88Confident82 Ų8286.5 Ų86.531%0.31138%0.381SS..Hα-helixtrans-61.7-43.5175.8-178-117.8000112.4C3 Q9 L10 R11 L40 F42 L43C3-W7 PolarHBondContact O-N 2.93Å; W7-Q9 VanDerWaalsContact C-N 3.29Å; W7-Q9 PolarHBondContact O-N 2.59Å; W7-L10 HydrophobicContact CE3-CD2 3.93Å; W7-L10 HydrophobicContact CZ3-CD2 3.64Å; W7-L10 PolarHBondContact O-N 3.26Å; W7-R11 WeakPolarHBondContact O-CB 3.44Å; W7-R11 PolarHBondContact O-N 2.95Å; W7-L40 HydrophobicContact CH2-CD2 4.08Å; W7-L40 HydrophobicContact CZ3-CD2 4.15Å; W7-F42 AromaticContact CH2-CZ 3.9Å; W7-F42 HydrophobicContact CH2-CZ 3.9Å; W7-F42 HydrophobicContact CZ2-CZ 4.35Å; W7-L43 HydrophobicContact CH2-CD1 4.23Å; W7-L43 HydrophobicContact CZ2-CD1 4.39Å; W7-L43 HydrophobicContact CZ2-CD2 4.21Å
8R88.4Confident87.9Confident88 Ų8882.3 Ų82.333%0.33236%0.363SS..Hα-helixtrans-56.2-41.7171.6-73.6164.7-173.1176.71.6111.6K4 N12 T588 F589K4-R8 WeakPolarHBondContact O-CB 3.41Å; K4-R8 WeakPolarHBondContact O-CD 3.46Å; K4-R8 WeakPolarHBondContact O-CG 3.36Å; K4-R8 PolarHBondContact O-N 3.14Å; R8-N12 VanDerWaalsContact O-CB 3.3Å; R8-N12 WeakPolarHBondContact O-CB 3.46Å; R8-N12 PolarHBondContact O-N 3.1Å; R8-N12 PolarHBondContact O-ND2 2.77Å; R8-T588 PolarHBondContact NH2-O 2.78Å; R8-F589 HydrophobicContact CG-CE1 4.24Å; R8-F589 HydrophobicContact CG-CZ 4.12Å; R8-F589 VanDerWaalsContact CZ-CE1 3.49Å; R8-F589 VanDerWaalsContact NH2-CD1 3.29Å; R8-F589 VanDerWaalsContact NH2-CZ 3.34Å
9Q91.9Very high87.8Confident98 Ų9882.6 Ų82.646%0.45837%0.369SS..Hα-helixtrans-66.1-50.7176.1-178.917612.200111.8R5 R6 W7 R11 N12 D13R5-Q9 PolarHBondContact O-N 2.72Å; R5-Q9 VanDerWaalsContact O-N 3.11Å; R6-Q9 WeakPolarHBondContact O-CB 3.41Å; R6-Q9 PolarHBondContact O-N 3.37Å; R6-Q9 VanDerWaalsContact O-N 3.13Å; W7-Q9 VanDerWaalsContact C-N 3.29Å; W7-Q9 PolarHBondContact O-N 2.59Å; Q9-R11 PolarHBondContact O-N 3.48Å; Q9-N12 WeakPolarHBondContact O-CB 3.39Å; Q9-N12 PolarHBondContact O-N 3.03Å; Q9-N12 VanDerWaalsContact O-N 3.09Å; Q9-D13 WeakPolarHBondContact CG-OD2 3.19Å; Q9-D13 PolarHBondContact O-N 2.93Å
10L92Very high87.7Confident32 Ų3280.6 Ų80.617%0.16837%0.368CS..Hα-helixtrans-62-44.6-175.3-172.3141.1000112.2R6 W7 D13 Y14 L36 L40R6-L10 WeakPolarHBondContact O-CB 3.29Å; R6-L10 PolarHBondContact O-N 3.35Å; W7-L10 HydrophobicContact CE3-CD2 3.93Å; W7-L10 HydrophobicContact CZ3-CD2 3.64Å; W7-L10 PolarHBondContact O-N 3.26Å; L10-D13 PolarHBondContact O-N 3.02Å; L10-Y14 PolarHBondContact O-N 3.27Å; L10-L36 HydrophobicContact CD1-CD1 3.75Å; L10-L36 HydrophobicContact CG-CD1 4.25Å; L10-L40 HydrophobicContact CD2-CD1 3.53Å; L10-L40 HydrophobicContact CD2-CD2 3.72Å; L10-L40 HydrophobicContact CD2-CG 4.25Å; L10-L40 HydrophobicContact CG-CD1 4.33Å
11R89.9Confident87.6Confident97 Ų9776.9 Ų76.937%0.36635%0.351SS..Hα-helixtrans-57.1-49.5169.4-179.5-174.9-68.7176.5-7.6111.6W7 Q9 D13 Y14 T15 L43W7-R11 WeakPolarHBondContact O-CB 3.44Å; W7-R11 PolarHBondContact O-N 2.95Å; Q9-R11 PolarHBondContact O-N 3.48Å; R11-D13 VanDerWaalsContact C-N 3.31Å; R11-D13 PolarHBondContact O-N 3.35Å; R11-Y14 PolarHBondContact O-N 2.99Å; R11-T15 PolarHBondContact O-N 3.16Å; R11-T15 PolarHBondContact O-OG1 3.45Å; R11-L43 HydrophobicContact CG-CD1 4.34Å
12N91.6Very high87.9Confident83 Ų8371.3 Ų71.344%0.44433%0.328SS..Hα-helixtrans-64.2-33.8-178.1-79.1-37.5000113.2R8 Q9 R16R8-N12 VanDerWaalsContact O-CB 3.3Å; R8-N12 WeakPolarHBondContact O-CB 3.46Å; R8-N12 PolarHBondContact O-N 3.1Å; R8-N12 PolarHBondContact O-ND2 2.77Å; Q9-N12 WeakPolarHBondContact O-CB 3.39Å; Q9-N12 PolarHBondContact O-N 3.03Å; Q9-N12 VanDerWaalsContact O-N 3.09Å; N12-R16 WeakPolarHBondContact O-CB 3.33Å; N12-R16 WeakPolarHBondContact O-CG 3.35Å; N12-R16 PolarHBondContact O-N 2.86Å; N12-R16 PolarHBondContact O-NE 3.08Å
13D91.6Very high87.8Confident51 Ų5166.5 Ų66.527%0.27331%0.311SS..Hα-helixtrans-72.9-37.8175.1-72.2-33.1000111.8Q9 L10 R11 R16 W17Q9-D13 WeakPolarHBondContact CG-OD2 3.19Å; Q9-D13 PolarHBondContact O-N 2.93Å; L10-D13 PolarHBondContact O-N 3.02Å; R11-D13 VanDerWaalsContact C-N 3.31Å; R11-D13 PolarHBondContact O-N 3.35Å; D13-R16 WeakPolarHBondContact O-CB 3.21Å; D13-R16 PolarHBondContact O-N 3.12Å; D13-R16 IonicContact OD1-CZ 2.95Å; D13-R16 VanDerWaalsContact OD1-CZ 3.23Å; D13-R16 IonicContact OD1-NE 4Å; D13-R16 PolarHBondContact OD1-NE 3.31Å; D13-R16 IonicContact OD1-NH2 3.23Å; D13-R16 PolarHBondContact OD1-NH2 3.05Å; D13-W17 PolarHBondContact O-N 3.43Å
14Y92.3Very high88.2Confident2 Ų266.1 Ų66.11%0.00830%0.298CS..Hα-helixtrans-62.7-49.5170.4-175.5-107.7000112L10 R11 R16 W17 C18 Y34 L40 L43 D44 L47L10-Y14 PolarHBondContact O-N 3.27Å; R11-Y14 PolarHBondContact O-N 2.99Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 2.85Å; Y14-W17 AromaticContact CD2-CE3 3.93Å; Y14-W17 HydrophobicContact CD2-CE3 3.93Å; Y14-W17 HydrophobicContact CD2-CZ3 4.34Å; Y14-W17 AromaticContact CE2-CE3 3.67Å; Y14-W17 HydrophobicContact CE2-CE3 3.67Å; Y14-W17 AromaticContact CE2-CZ3 3.62Å; Y14-W17 HydrophobicContact CE2-CZ3 3.62Å; Y14-W17 CarbonylContact O-C 3.58Å; Y14-W17 WeakPolarHBondContact O-CA 3.47Å; Y14-W17 WeakPolarHBondContact O-CB 3.35Å; Y14-W17 PolarHBondContact O-N 2.86Å; Y14-C18 VanDerWaalsContact CE1-SG 3.5Å; Y14-C18 PolarHBondContact O-N 3.11Å; Y14-C18 PolarHBondContact O-SG 3.46Å; Y14-Y34 AromaticContact CD2-CD1 3.89Å; Y14-Y34 HydrophobicContact CD2-CD1 3.89Å; Y14-Y34 AromaticContact CD2-CE1 3.84Å; Y14-Y34 HydrophobicContact CD2-CE1 3.84Å; Y14-L40 HydrophobicContact CD1-CB 4.04Å; Y14-L40 HydrophobicContact CD2-CB 3.67Å; Y14-L40 HydrophobicContact CD2-CD1 3.83Å; Y14-L40 HydrophobicContact CD2-CG 4.41Å; Y14-L40 HydrophobicContact CE1-CB 4.08Å; Y14-L40 WeakPolarHBondContact CE1-O 3.31Å; Y14-L40 HydrophobicContact CE2-CB 3.69Å; Y14-L40 HydrophobicContact CG-CB 3.85Å; Y14-L40 HydrophobicContact CG-CD1 3.82Å; Y14-L43 HydrophobicContact CD1-CB 4.23Å; Y14-L43 HydrophobicContact CD1-CD1 4.23Å; Y14-L43 HydrophobicContact CE1-CB 4.11Å; Y14-D44 VanDerWaalsContact CE1-OD1 3.26Å; Y14-D44 WeakPolarHBondContact CE1-OD1 3.25Å; Y14-D44 VanDerWaalsContact OH-CG 3.25Å; Y14-D44 PolarHBondContact OH-OD1 3Å; Y14-D44 PolarHBondContact OH-OD2 2.99Å; Y14-D44 VanDerWaalsContact OH-OD2 3.06Å; Y14-L47 HydrophobicContact CD1-CD1 3.84Å; Y14-L47 HydrophobicContact CE1-CD1 4.12Å
15T89.9Confident87.9Confident33 Ų3369.1 Ų69.120%0.20231%0.308CS..Hα-helixtrans-59.4-37.4175.9-49.50000112.2R11 N19 L47R11-T15 PolarHBondContact O-N 3.16Å; R11-T15 PolarHBondContact O-OG1 3.45Å; T15-N19 WeakPolarHBondContact O-CB 3.48Å; T15-N19 PolarHBondContact O-N 3.26Å; T15-N19 VanDerWaalsContact O-N 3.1Å; T15-N19 PolarHBondContact O-ND2 3.46Å; T15-L47 HydrophobicContact CG2-CD1 4.44Å; T15-L47 HydrophobicContact CG2-CD2 4.08Å; T15-L47 VanDerWaalsContact OG1-CD1 3.32Å; T15-L47 WeakPolarHBondContact OG1-CD1 3.4Å; T15-L47 VanDerWaalsContact OG1-CD2 3.25Å; T15-L47 WeakPolarHBondContact OG1-CD2 3.42Å
16R90.1Very high87.4Confident139 Ų13969.3 Ų69.353%0.52531%0.308SS..Hα-helixtrans-62.3-43.6171.4-84.9-176.9-81.7-85.68.9111.8N12 D13 Y14 A20N12-R16 WeakPolarHBondContact O-CB 3.33Å; N12-R16 WeakPolarHBondContact O-CG 3.35Å; N12-R16 PolarHBondContact O-N 2.86Å; N12-R16 PolarHBondContact O-NE 3.08Å; D13-R16 WeakPolarHBondContact O-CB 3.21Å; D13-R16 PolarHBondContact O-N 3.12Å; D13-R16 IonicContact OD1-CZ 2.95Å; D13-R16 VanDerWaalsContact OD1-CZ 3.23Å; D13-R16 IonicContact OD1-NE 4Å; D13-R16 PolarHBondContact OD1-NE 3.31Å; D13-R16 IonicContact OD1-NH2 3.23Å; D13-R16 PolarHBondContact OD1-NH2 3.05Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 2.85Å; R16-A20 WeakPolarHBondContact O-CB 3.44Å; R16-A20 PolarHBondContact O-N 3.38Å
17W91.4Very high87Confident38 Ų3868.8 Ų68.814%0.14432%0.315CS..Hα-helixtrans-64.5-49176.6173.276.8000112.1D13 Y14 N19 A20 D21 L32 Y34 A37D13-W17 PolarHBondContact O-N 3.43Å; Y14-W17 AromaticContact CD2-CE3 3.93Å; Y14-W17 HydrophobicContact CD2-CE3 3.93Å; Y14-W17 HydrophobicContact CD2-CZ3 4.34Å; Y14-W17 AromaticContact CE2-CE3 3.67Å; Y14-W17 HydrophobicContact CE2-CE3 3.67Å; Y14-W17 AromaticContact CE2-CZ3 3.62Å; Y14-W17 HydrophobicContact CE2-CZ3 3.62Å; Y14-W17 CarbonylContact O-C 3.58Å; Y14-W17 WeakPolarHBondContact O-CA 3.47Å; Y14-W17 WeakPolarHBondContact O-CB 3.35Å; Y14-W17 PolarHBondContact O-N 2.86Å; W17-N19 VanDerWaalsContact C-N 3.31Å; W17-N19 PolarHBondContact O-N 3.36Å; W17-A20 CarbonylContact O-C 3.48Å; W17-A20 WeakPolarHBondContact O-CA 3.39Å; W17-A20 WeakPolarHBondContact O-CB 3.43Å; W17-A20 PolarHBondContact O-N 3.4Å; W17-D21 WeakPolarHBondContact O-CB 3.42Å; W17-D21 PolarHBondContact O-N 3.06Å; W17-L32 WeakPolarHBondContact CZ2-O 3.37Å; W17-L32 PolarHBondContact NE1-O 2.66Å; W17-Y34 HydrophobicContact CB-CD2 4.22Å; W17-Y34 HydrophobicContact CB-CG 4.36Å; W17-Y34 HydrophobicContact CD2-CG 4.13Å; W17-Y34 HydrophobicContact CG-CD2 4.2Å; W17-Y34 HydrophobicContact CG-CG 4.03Å; W17-A37 HydrophobicContact CH2-CB 3.88Å; W17-A37 HydrophobicContact CZ2-CB 4.42Å; W17-A37 HydrophobicContact CZ3-CB 4.17Å
18C87.3Confident86.4Confident10 Ų1068.4 Ų68.47%0.06834%0.337CS..Hα-helixtrans-60-40.2178.7-60.60000112.3Y14 A20 D21 A22 I49Y14-C18 VanDerWaalsContact CE1-SG 3.5Å; Y14-C18 PolarHBondContact O-N 3.11Å; Y14-C18 PolarHBondContact O-SG 3.46Å; C18-A20 VanDerWaalsContact C-N 3.34Å; C18-A20 PolarHBondContact O-N 3.28Å; C18-D21 PolarHBondContact O-N 3.09Å; C18-A22 WeakPolarHBondContact O-CB 3.45Å; C18-A22 PolarHBondContact O-N 3.47Å; C18-I49 HydrophobicContact CB-CD1 3.51Å; C18-I49 HydrophobicContact CB-CG1 4.45Å
19N86.1Confident86Confident89 Ų8969.1 Ų69.148%0.47634%0.344SS..Hα-helixtrans-66.1-35173.9-84.1-85000112.6T15 W17 N23T15-N19 WeakPolarHBondContact O-CB 3.48Å; T15-N19 PolarHBondContact O-N 3.26Å; T15-N19 VanDerWaalsContact O-N 3.1Å; T15-N19 PolarHBondContact O-ND2 3.46Å; W17-N19 VanDerWaalsContact C-N 3.31Å; W17-N19 PolarHBondContact O-N 3.36Å; N19-N23 WeakPolarHBondContact O-CB 3.42Å; N19-N23 PolarHBondContact O-N 3.08Å; N19-N23 PolarHBondContact O-ND2 3.1Å
20A85.8Confident85.2Confident42 Ų4273.6 Ų73.635%0.34736%0.357SS..Hα-helixtrans-70.3-37.8173.100000111.8R16 W17 C18 N23 R24R16-A20 WeakPolarHBondContact O-CB 3.44Å; R16-A20 PolarHBondContact O-N 3.38Å; W17-A20 CarbonylContact O-C 3.48Å; W17-A20 WeakPolarHBondContact O-CA 3.39Å; W17-A20 WeakPolarHBondContact O-CB 3.43Å; W17-A20 PolarHBondContact O-N 3.4Å; C18-A20 VanDerWaalsContact C-N 3.34Å; C18-A20 PolarHBondContact O-N 3.28Å; A20-N23 PolarHBondContact O-N 2.95Å; A20-R24 VanDerWaalsContact O-CG 3.31Å; A20-R24 WeakPolarHBondContact O-CG 3.43Å; A20-R24 PolarHBondContact O-N 3.22Å
21D85Confident84.5Confident3 Ų378.5 Ų78.52%0.01637%0.373CS..Hα-helixtrans-70.8-43.6178.7-17172.5000112.4W17 C18 N23 R24 R25 R31W17-D21 WeakPolarHBondContact O-CB 3.42Å; W17-D21 PolarHBondContact O-N 3.06Å; C18-D21 PolarHBondContact O-N 3.09Å; D21-N23 VanDerWaalsContact C-N 3.28Å; D21-N23 PolarHBondContact O-N 3.24Å; D21-R24 CarbonylContact O-C 3.45Å; D21-R24 WeakPolarHBondContact O-CA 3.44Å; D21-R24 WeakPolarHBondContact O-CB 3.44Å; D21-R24 PolarHBondContact O-N 2.94Å; D21-R25 WeakPolarHBondContact O-CG 3.27Å; D21-R25 PolarHBondContact O-N 3.32Å; D21-R25 IonicContact OD2-NE 3.48Å; D21-R25 PolarHBondContact OD2-NE 2.77Å; D21-R31 WeakPolarHBondContact OD1-CA 3.39Å; D21-R31 WeakPolarHBondContact OD1-CB 3.35Å; D21-R31 WeakPolarHBondContact OD1-CG 3.26Å; D21-R31 IonicContact OD1-NE 2.63Å; D21-R31 PolarHBondContact OD1-NE 3.37Å; D21-R31 IonicContact OD2-CZ 2.67Å; D21-R31 IonicContact OD2-NE 3.1Å; D21-R31 PolarHBondContact OD2-NE 3.24Å; D21-R31 IonicContact OD2-NH2 2.66Å; D21-R31 PolarHBondContact OD2-NH2 3.39Å
22A81.9Confident83.9Confident17 Ų1778.3 Ų78.314%0.1438%0.379CS..Hα-helixtrans-57.9-41.7171.800000111.6C18 R24 R25 R26C18-A22 WeakPolarHBondContact O-CB 3.45Å; C18-A22 PolarHBondContact O-N 3.47Å; A22-R24 VanDerWaalsContact C-N 3.34Å; A22-R24 PolarHBondContact O-N 3.48Å; A22-R25 PolarHBondContact O-N 3.35Å; A22-R26 VanDerWaalsContact O-CG 3.29Å; A22-R26 WeakPolarHBondContact O-CG 3.25Å; A22-R26 PolarHBondContact O-N 2.9Å
23N80.3Confident83.1Confident76 Ų7679.3 Ų79.341%0.40640%0.399SS..Hα-helixtrans-71-24.7173.2-72.5-48.6000113.2N19 A20 D21 R26 N27N19-N23 WeakPolarHBondContact O-CB 3.42Å; N19-N23 PolarHBondContact O-N 3.08Å; N19-N23 PolarHBondContact O-ND2 3.1Å; A20-N23 PolarHBondContact O-N 2.95Å; D21-N23 VanDerWaalsContact C-N 3.28Å; D21-N23 PolarHBondContact O-N 3.24Å; N23-R26 PolarHBondContact OD1-NH1 2.98Å; N23-N27 WeakPolarHBondContact O-CB 3.26Å; N23-N27 VanDerWaalsContact O-CG 3.25Å; N23-N27 PolarHBondContact O-N 3.02Å; N23-N27 PolarHBondContact O-ND2 3.31Å
24R82.1Confident82.8Confident75 Ų7579.2 Ų79.228%0.28340%0.395SS..Hα-helixtrans-73.1-45170.6-77.4176.1-163.3-70.40.5111.8A20 D21 A22 R26 N27 G28 Q29A20-R24 VanDerWaalsContact O-CG 3.31Å; A20-R24 WeakPolarHBondContact O-CG 3.43Å; A20-R24 PolarHBondContact O-N 3.22Å; D21-R24 CarbonylContact O-C 3.45Å; D21-R24 WeakPolarHBondContact O-CA 3.44Å; D21-R24 WeakPolarHBondContact O-CB 3.44Å; D21-R24 PolarHBondContact O-N 2.94Å; A22-R24 VanDerWaalsContact C-N 3.34Å; A22-R24 PolarHBondContact O-N 3.48Å; R24-R26 PolarHBondContact O-N 2.83Å; R24-N27 CarbonylContact O-C 3.57Å; R24-N27 VanDerWaalsContact O-C 3.29Å; R24-N27 WeakPolarHBondContact O-CA 3.32Å; R24-N27 PolarHBondContact O-N 3.16Å; R24-G28 PolarHBondContact O-N 3.48Å; R24-Q29 HydrophobicContact CB-CB 3.97Å; R24-Q29 HydrophobicContact CG-CB 4.15Å; R24-Q29 PolarHBondContact O-N 3.04Å
25R80.6Confident82.5Confident112 Ų11284.9 Ų84.942%0.42343%0.432SS..Hα-helixtrans-52.1-53.6172.4-73.4171.9163-125.5-4.6111D21 A22 N27 G28 M53D21-R25 WeakPolarHBondContact O-CG 3.27Å; D21-R25 PolarHBondContact O-N 3.32Å; D21-R25 IonicContact OD2-NE 3.48Å; D21-R25 PolarHBondContact OD2-NE 2.77Å; A22-R25 PolarHBondContact O-N 3.35Å; R25-N27 PolarHBondContact O-N 3Å; R25-N27 VanDerWaalsContact O-N 3.16Å; R25-G28 PolarHBondContact O-N 2.95Å; R25-M53 PolarHBondContact NH1-SD 3.23Å; R25-M53 VanDerWaalsContact NH1-SD 3.37Å
26R78.2Confident82.2Confident157 Ų15785.8 Ų85.859%0.59244%0.435SS*.Hα-helixtrans-60.5-23.1176.3-66.9170.5-169.9159.5-4.1114.1A22 N23 R24 D52A22-R26 VanDerWaalsContact O-CG 3.29Å; A22-R26 WeakPolarHBondContact O-CG 3.25Å; A22-R26 PolarHBondContact O-N 2.9Å; N23-R26 PolarHBondContact OD1-NH1 2.98Å; R24-R26 PolarHBondContact O-N 2.83Å; R26-D52 IonicContact CZ-OD2 2.76Å; R26-D52 VanDerWaalsContact CZ-OD2 3.27Å; R26-D52 IonicContact NE-OD2 3.46Å; R26-D52 PolarHBondContact NE-OD2 2.91Å; R26-D52 VanDerWaalsContact NE-OD2 3.1Å; R26-D52 IonicContact NH2-OD2 3.31Å; R26-D52 PolarHBondContact NH2-OD2 3.36Å
27N80.3Confident81.9Confident120 Ų12079.9 Ų79.964%0.64242%0.416SS*.THydrogen-bonded Turntrans-100.110176.1-72-42.4000113.5N23 R24 R25 Q29N23-N27 WeakPolarHBondContact O-CB 3.26Å; N23-N27 VanDerWaalsContact O-CG 3.25Å; N23-N27 PolarHBondContact O-N 3.02Å; N23-N27 PolarHBondContact O-ND2 3.31Å; R24-N27 CarbonylContact O-C 3.57Å; R24-N27 VanDerWaalsContact O-C 3.29Å; R24-N27 WeakPolarHBondContact O-CA 3.32Å; R24-N27 PolarHBondContact O-N 3.16Å; R25-N27 PolarHBondContact O-N 3Å; R25-N27 VanDerWaalsContact O-N 3.16Å; N27-Q29 HydrophobicContact CB-CG 4.41Å; N27-Q29 PolarHBondContact O-N 3.47Å
28G78.9Confident81.6Confident74 Ų7483.8 Ų83.876%0.76344%0.44SS*.THydrogen-bonded Turntrans65.417.4-179.900000115.5R24 R25R24-G28 PolarHBondContact O-N 3.48Å; R25-G28 PolarHBondContact O-N 2.95Å
29Q79.5Confident81.6Confident103 Ų10389.8 Ų89.848%0.48147%0.467SS..PPolyproline II helixtrans-89.7141.2-179.1-65.5-173.1-3.100111.7R24 N27R24-Q29 HydrophobicContact CB-CB 3.97Å; R24-Q29 HydrophobicContact CG-CB 4.15Å; R24-Q29 PolarHBondContact O-N 3.04Å; N27-Q29 HydrophobicContact CB-CG 4.41Å; N27-Q29 PolarHBondContact O-N 3.47Å
30R74.9Confident81.7Confident192 Ų19285.9 Ų85.973%0.72545%0.446SS*.PPolyproline II helixtrans-52.6140.5171.6-77-178170-117.34.2110.5D64R30-D64 IonicContact CZ-OD2 3.36Å; R30-D64 IonicContact NH1-OD1 3.16Å; R30-D64 IonicContact NH1-OD2 2.95Å; R30-D64 PolarHBondContact NH1-OD2 2.78Å; R30-D64 IonicContact NH2-OD1 3.27Å; R30-D64 PolarHBondContact NH2-OD1 2.8Å; R30-D64 IonicContact NH2-OD2 3.12Å; R30-D64 PolarHBondContact NH2-OD2 3.49Å
31R76.7Confident81.6Confident135 Ų13591.1 Ų91.151%0.50946%0.457SS..PPolyproline II helixtrans-58.2141.3175.4-53.7-170.384.8-176.54.4109.7D21D21-R31 WeakPolarHBondContact OD1-CA 3.39Å; D21-R31 WeakPolarHBondContact OD1-CB 3.35Å; D21-R31 WeakPolarHBondContact OD1-CG 3.26Å; D21-R31 IonicContact OD1-NE 2.63Å; D21-R31 PolarHBondContact OD1-NE 3.37Å; D21-R31 IonicContact OD2-CZ 2.67Å; D21-R31 IonicContact OD2-NE 3.1Å; D21-R31 PolarHBondContact OD2-NE 3.24Å; D21-R31 IonicContact OD2-NH2 2.66Å; D21-R31 PolarHBondContact OD2-NH2 3.39Å
32L76.8Confident81.6Confident93 Ų9396.8 Ų96.849%0.48748%0.482SS..PPolyproline II helixtrans-90.1131.4168.4-69.2-176.1000108.8W17 Y34W17-L32 WeakPolarHBondContact CZ2-O 3.37Å; W17-L32 PolarHBondContact NE1-O 2.66Å; L32-Y34 PolarHBondContact O-N 3.1Å
33A76.1Confident81.7Confident105 Ų10596.2 Ų96.287%0.86848%0.476SS*.PPolyproline II helixtrans-63.8129.8173.800000110.8
34Y84.9Confident81.9Confident49 Ų4994.3 Ų94.319%0.19247%0.466CS..  trans-106.5129.2165.2-178.3-108000107.8Y14 W17 L32 L36 A37 L40Y14-Y34 AromaticContact CD2-CD1 3.89Å; Y14-Y34 HydrophobicContact CD2-CD1 3.89Å; Y14-Y34 AromaticContact CD2-CE1 3.84Å; Y14-Y34 HydrophobicContact CD2-CE1 3.84Å; W17-Y34 HydrophobicContact CB-CD2 4.22Å; W17-Y34 HydrophobicContact CB-CG 4.36Å; W17-Y34 HydrophobicContact CD2-CG 4.13Å; W17-Y34 HydrophobicContact CG-CD2 4.2Å; W17-Y34 HydrophobicContact CG-CG 4.03Å; L32-Y34 PolarHBondContact O-N 3.1Å; Y34-L36 HydrophobicContact CD1-CB 4.23Å; Y34-L36 HydrophobicContact CE1-CB 3.82Å; Y34-L36 PolarHBondContact O-N 2.95Å; Y34-L36 VanDerWaalsContact O-N 3.12Å; Y34-A37 WeakPolarHBondContact O-CB 3.21Å; Y34-A37 PolarHBondContact O-N 3.07Å; Y34-L40 HydrophobicContact CE1-CD1 4.07Å
35P84.9Confident81.6Confident121 Ų121101.1 Ų101.179%0.78649%0.492SS*.THydrogen-bonded Turntrans-60.1-28.7-169.8-28.136000115.1
36L85.1Confident81Confident51 Ų51102.5 Ų102.527%0.26750%0.503SS..THydrogen-bonded Turntrans-10728.4179-50.3172.9000111L10 Y34 E39 L40L10-L36 HydrophobicContact CD1-CD1 3.75Å; L10-L36 HydrophobicContact CG-CD1 4.25Å; Y34-L36 HydrophobicContact CD1-CB 4.23Å; Y34-L36 HydrophobicContact CE1-CB 3.82Å; Y34-L36 PolarHBondContact O-N 2.95Å; Y34-L36 VanDerWaalsContact O-N 3.12Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.33Å; L36-L40 HydrophobicContact CB-CD1 4.01Å; L36-L40 HydrophobicContact CB-CG 4.26Å; L36-L40 WeakPolarHBondContact O-CB 3.46Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.3Å
37A83.2Confident80.6Confident15 Ų1597.3 Ų97.312%0.12449%0.486CS..Hα-helixtrans-59.3-62.5-175.900000110.6W17 Y34 E39 L40 R41W17-A37 HydrophobicContact CH2-CB 3.88Å; W17-A37 HydrophobicContact CZ2-CB 4.42Å; W17-A37 HydrophobicContact CZ3-CB 4.17Å; Y34-A37 WeakPolarHBondContact O-CB 3.21Å; Y34-A37 PolarHBondContact O-N 3.07Å; A37-E39 PolarHBondContact O-N 3.38Å; A37-L40 PolarHBondContact O-N 3.14Å; A37-L40 VanDerWaalsContact O-N 3.09Å; A37-R41 WeakPolarHBondContact O-CG 3.4Å; A37-R41 PolarHBondContact O-N 3.34Å; A37-R41 VanDerWaalsContact O-N 3.16Å
38D83.9Confident79.6Confident120 Ų12097.6 Ų97.664%0.64249%0.488SS*.Hα-helixtrans-66.4-35.4-175.4-62.1-67.2000113L40 R41D38-L40 PolarHBondContact O-N 3.3Å; D38-R41 PolarHBondContact O-N 3.49Å; D38-R41 VanDerWaalsContact OD1-CD 3.27Å; D38-R41 WeakPolarHBondContact OD1-CD 3.48Å; D38-R41 IonicContact OD1-NH1 3.47Å; D38-R41 PolarHBondContact OD1-NH1 3.16Å
39E88.1Confident78.7Confident136 Ų13695.5 Ų95.564%0.63646%0.459SS*.Hα-helixtrans-59.8-25.2173.4-67-178.8-150.200113.5L36 A37 F42L36-E39 WeakPolarHBondContact CD2-OE2 3.33Å; A37-E39 PolarHBondContact O-N 3.38Å; E39-F42 VanDerWaalsContact O-CD1 3.32Å; E39-F42 WeakPolarHBondContact O-CD1 3.3Å; E39-F42 VanDerWaalsContact O-CE1 3.29Å; E39-F42 WeakPolarHBondContact O-CE1 3.37Å
40L87.8Confident77.2Confident7 Ų793.1 Ų93.14%0.03746%0.457CS..Hα-helixtrans-111.72.1-176.1-62.1179.1000114.3W7 L10 Y14 Y34 L36 A37 D38 F42 L43W7-L40 HydrophobicContact CH2-CD2 4.08Å; W7-L40 HydrophobicContact CZ3-CD2 4.15Å; L10-L40 HydrophobicContact CD2-CD1 3.53Å; L10-L40 HydrophobicContact CD2-CD2 3.72Å; L10-L40 HydrophobicContact CD2-CG 4.25Å; L10-L40 HydrophobicContact CG-CD1 4.33Å; Y14-L40 HydrophobicContact CD1-CB 4.04Å; Y14-L40 HydrophobicContact CD2-CB 3.67Å; Y14-L40 HydrophobicContact CD2-CD1 3.83Å; Y14-L40 HydrophobicContact CD2-CG 4.41Å; Y14-L40 HydrophobicContact CE1-CB 4.08Å; Y14-L40 WeakPolarHBondContact CE1-O 3.31Å; Y14-L40 HydrophobicContact CE2-CB 3.69Å; Y14-L40 HydrophobicContact CG-CB 3.85Å; Y14-L40 HydrophobicContact CG-CD1 3.82Å; Y34-L40 HydrophobicContact CE1-CD1 4.07Å; L36-L40 HydrophobicContact CB-CD1 4.01Å; L36-L40 HydrophobicContact CB-CG 4.26Å; L36-L40 WeakPolarHBondContact O-CB 3.46Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.3Å; A37-L40 PolarHBondContact O-N 3.14Å; A37-L40 VanDerWaalsContact O-N 3.09Å; D38-L40 PolarHBondContact O-N 3.3Å; L40-F42 HydrophobicContact CD2-CE1 4.23Å; L40-F42 PolarHBondContact O-N 3.47Å; L40-F42 VanDerWaalsContact O-N 3.09Å; L40-L43 HydrophobicContact CB-CD1 4.27Å; L40-L43 HydrophobicContact CD2-CD1 4.06Å; L40-L43 VanDerWaalsContact O-CB 3.25Å; L40-L43 WeakPolarHBondContact O-CB 3.48Å; L40-L43 PolarHBondContact O-N 3.1Å
41R84.2Confident75.9Confident153 Ų15391 Ų9158%0.57746%0.46SS*.G310 helixtrans-56.8-26.2177.1-76.4176.971.1177.1-3.2113.9A37 D38 L43 D44A37-R41 WeakPolarHBondContact O-CG 3.4Å; A37-R41 PolarHBondContact O-N 3.34Å; A37-R41 VanDerWaalsContact O-N 3.16Å; D38-R41 PolarHBondContact O-N 3.49Å; D38-R41 VanDerWaalsContact OD1-CD 3.27Å; D38-R41 WeakPolarHBondContact OD1-CD 3.48Å; D38-R41 IonicContact OD1-NH1 3.47Å; D38-R41 PolarHBondContact OD1-NH1 3.16Å; R41-L43 PolarHBondContact O-N 3.31Å; R41-L43 VanDerWaalsContact O-N 3.17Å; R41-D44 WeakPolarHBondContact O-CB 3.3Å; R41-D44 PolarHBondContact O-N 3.12Å
42F84.8Confident74.3Confident122 Ų12289.1 Ų89.154%0.53546%0.46SS..G310 helixtrans-61.6-21.6172.878.6-91.7000113.1W7 E39 L40 D44 H46W7-F42 AromaticContact CH2-CZ 3.9Å; W7-F42 HydrophobicContact CH2-CZ 3.9Å; W7-F42 HydrophobicContact CZ2-CZ 4.35Å; E39-F42 VanDerWaalsContact O-CD1 3.32Å; E39-F42 WeakPolarHBondContact O-CD1 3.3Å; E39-F42 VanDerWaalsContact O-CE1 3.29Å; E39-F42 WeakPolarHBondContact O-CE1 3.37Å; L40-F42 HydrophobicContact CD2-CE1 4.23Å; L40-F42 PolarHBondContact O-N 3.47Å; L40-F42 VanDerWaalsContact O-N 3.09Å; F42-D44 VanDerWaalsContact C-N 3.35Å; F42-H46 PolarHBondContact O-CD2 3.48Å
43L84.9Confident73Confident5 Ų588.5 Ų88.53%0.02646%0.456CS..G310 helixtrans-76.2-17.6173-61.4177.8000113.1W7 R11 Y14 L40 R41 R45 H46 L47W7-L43 HydrophobicContact CH2-CD1 4.23Å; W7-L43 HydrophobicContact CZ2-CD1 4.39Å; W7-L43 HydrophobicContact CZ2-CD2 4.21Å; R11-L43 HydrophobicContact CG-CD1 4.34Å; Y14-L43 HydrophobicContact CD1-CB 4.23Å; Y14-L43 HydrophobicContact CD1-CD1 4.23Å; Y14-L43 HydrophobicContact CE1-CB 4.11Å; L40-L43 HydrophobicContact CB-CD1 4.27Å; L40-L43 HydrophobicContact CD2-CD1 4.06Å; L40-L43 VanDerWaalsContact O-CB 3.25Å; L40-L43 WeakPolarHBondContact O-CB 3.48Å; L40-L43 PolarHBondContact O-N 3.1Å; R41-L43 PolarHBondContact O-N 3.31Å; R41-L43 VanDerWaalsContact O-N 3.17Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.04Å; L43-H46 CarbonylContact O-C 3.55Å; L43-H46 WeakPolarHBondContact O-CA 3.29Å; L43-H46 PolarHBondContact O-N 2.63Å; L43-L47 HydrophobicContact CB-CD1 3.96Å; L43-L47 HydrophobicContact CB-CG 4.36Å; L43-L47 WeakPolarHBondContact O-CB 3.32Å; L43-L47 VanDerWaalsContact O-CG 3.26Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 3.47Å
44D82.9Confident71.2Confident36 Ų3688.4 Ų88.419%0.19346%0.455CS..G310 helixtrans-62.1-37.7-177.1-67.2-31000111.9Y14 R41 F42 H46 L47 N48 I49Y14-D44 VanDerWaalsContact CE1-OD1 3.26Å; Y14-D44 WeakPolarHBondContact CE1-OD1 3.25Å; Y14-D44 VanDerWaalsContact OH-CG 3.25Å; Y14-D44 PolarHBondContact OH-OD1 3Å; Y14-D44 PolarHBondContact OH-OD2 2.99Å; Y14-D44 VanDerWaalsContact OH-OD2 3.06Å; R41-D44 WeakPolarHBondContact O-CB 3.3Å; R41-D44 PolarHBondContact O-N 3.12Å; F42-D44 VanDerWaalsContact C-N 3.35Å; D44-H46 VanDerWaalsContact C-N 3.27Å; D44-H46 PolarHBondContact O-N 3.39Å; D44-L47 PolarHBondContact O-N 2.98Å; D44-N48 PolarHBondContact O-N 2.97Å; D44-I49 PolarHBondContact O-N 2.68Å
45R76.3Confident69.1Low217 Ų21790 Ų9082%0.81948%0.478SS*.G310 helixtrans-66.3-24.6172.8-170.7174.8-176.9173.13.4113.1L43L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.04Å
46H68.6Low67Low142 Ų14291.9 Ų91.966%0.65748%0.482SS*.G310 helixtrans-100.1-6.3179.8-62.5-61.2000113.9F42 L43 D44F42-H46 PolarHBondContact O-CD2 3.48Å; L43-H46 CarbonylContact O-C 3.55Å; L43-H46 WeakPolarHBondContact O-CA 3.29Å; L43-H46 PolarHBondContact O-N 2.63Å; D44-H46 VanDerWaalsContact C-N 3.27Å; D44-H46 PolarHBondContact O-N 3.39Å
47L70.2Confident65Low47 Ų4796.8 Ų96.825%0.24651%0.508CS..THydrogen-bonded Turntrans-105.73.2177.8-71.7173.5000112.3Y14 T15 L43 D44 I49Y14-L47 HydrophobicContact CD1-CD1 3.84Å; Y14-L47 HydrophobicContact CE1-CD1 4.12Å; T15-L47 HydrophobicContact CG2-CD1 4.44Å; T15-L47 HydrophobicContact CG2-CD2 4.08Å; T15-L47 VanDerWaalsContact OG1-CD1 3.32Å; T15-L47 WeakPolarHBondContact OG1-CD1 3.4Å; T15-L47 VanDerWaalsContact OG1-CD2 3.25Å; T15-L47 WeakPolarHBondContact OG1-CD2 3.42Å; L43-L47 HydrophobicContact CB-CD1 3.96Å; L43-L47 HydrophobicContact CB-CG 4.36Å; L43-L47 WeakPolarHBondContact O-CB 3.32Å; L43-L47 VanDerWaalsContact O-CG 3.26Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 3.47Å; D44-L47 PolarHBondContact O-N 2.98Å; L47-I49 HydrophobicContact CB-CD1 3.52Å; L47-I49 HydrophobicContact CB-CG1 3.88Å; L47-I49 HydrophobicContact CD1-CD1 3.86Å; L47-I49 HydrophobicContact CG-CD1 4.36Å; L47-I49 PolarHBondContact O-N 3.04Å
48N59.7Low62.9Low127 Ų127103.2 Ų103.268%0.67954%0.541SS*.THydrogen-bonded Turntrans5142.6-177.1-590.2000112.6D44 A50D44-N48 PolarHBondContact O-N 2.97Å; N48-A50 VanDerWaalsContact C-N 3.33Å
49I59.4Low60.6Low29 Ų29108.1 Ų108.115%0.14955%0.55CS..  trans-86.8-11.6174.3-61159.5000110.7C18 D44 L47 D51 M53C18-I49 HydrophobicContact CB-CD1 3.51Å; C18-I49 HydrophobicContact CB-CG1 4.45Å; D44-I49 PolarHBondContact O-N 2.68Å; L47-I49 HydrophobicContact CB-CD1 3.52Å; L47-I49 HydrophobicContact CB-CG1 3.88Å; L47-I49 HydrophobicContact CD1-CD1 3.86Å; L47-I49 HydrophobicContact CG-CD1 4.36Å; L47-I49 PolarHBondContact O-N 3.04Å; I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 2.94Å; I49-M53 HydrophobicContact CG2-CE 4.37Å
50A48Very low57.9Low54 Ų54107 Ų10745%0.44656%0.557SS.*G310 helixtrans-63.3-28.1-172.800000115N48 D52 M53N48-A50 VanDerWaalsContact C-N 3.33Å; A50-D52 PolarHBondContact O-N 2.96Å; A50-M53 WeakPolarHBondContact O-CB 3.32Å; A50-M53 PolarHBondContact O-N 3.47Å
51D46.6Very low55.5Low148 Ų148112.4 Ų112.479%0.79159%0.59SS**G310 helixtrans-65.1-15.2-173.7-61.7-12.3000114.3I49I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 2.94Å
52D44.7Very low53.2Low94 Ų94111.2 Ų111.250%0.50361%0.606SS.*G310 helixtrans-10713.8176.3-121.613.5000112R26 A50R26-D52 IonicContact CZ-OD2 2.76Å; R26-D52 VanDerWaalsContact CZ-OD2 3.27Å; R26-D52 IonicContact NE-OD2 3.46Å; R26-D52 PolarHBondContact NE-OD2 2.91Å; R26-D52 VanDerWaalsContact NE-OD2 3.1Å; R26-D52 IonicContact NH2-OD2 3.31Å; R26-D52 PolarHBondContact NH2-OD2 3.36Å; A50-D52 PolarHBondContact O-N 2.96Å
53M47.8Very low51Low80 Ų80108.3 Ų108.339%0.39460%0.6SS.*  trans-115.1-1-178-64-70173.400114.4R25 I49 A50 A55R25-M53 PolarHBondContact NH1-SD 3.23Å; R25-M53 VanDerWaalsContact NH1-SD 3.37Å; I49-M53 HydrophobicContact CG2-CE 4.37Å; A50-M53 WeakPolarHBondContact O-CB 3.32Å; A50-M53 PolarHBondContact O-N 3.47Å; M53-A55 PolarHBondContact O-N 3.26Å
54A39.8Very low48.6Very low103 Ų103114 Ų11485%0.85163%0.631SS**SBendtrans-72.527.6178.200000114.4
55A41.2Very low46.7Very low83 Ų83121.3 Ų121.369%0.68666%0.661SS**SBendtrans-157.465-178.200000110.4M53M53-A55 PolarHBondContact O-N 3.26Å
56D38.9Very low44.8Very low160 Ų160117.4 Ų117.486%0.85666%0.656SS**  trans170.982.8144.4-86.4-16.3000108.2
57D44.5Very low43.4Very low155 Ų155121.9 Ų121.983%0.82967%0.667SS**  trans-100.2103.5151.1-176.730.9000107.3
58D37.5Very low41.9Very low150 Ų150127.3 Ų127.380%0.80270%0.696SS**  trans-152.1145.2159.3-138-27000109.3
59R35.7Very low40.7Very low222 Ų222128.4 Ų128.484%0.83870%0.703SS**  trans-84.1155.4-174.1-67.6172.8175.4169.3-3.2110.6
60S32.2Very low39.7Very low112 Ų112135 Ų13578%0.78374%0.738SS**  trans80.9156.5-178.2-31.40000113.6
61V36.6Very low39Very low121 Ų121143.2 Ų143.273%0.73376%0.758SS**  cis-132.213614.6-176.30000111.3S63V61-S63 VanDerWaalsContact C-N 3.26Å; V61-S63 PolarHBondContact O-N 2.85Å
62S37.8Very low38.3Very low129 Ų129142.8 Ų142.890%0.90276%0.755SS**  trans-77.667.316555.90000111.9
63S38.7Very low37.7Very low61 Ų61143.7 Ų143.743%0.42777%0.769SS.*  trans-157.6108.4165.9-174.70000112.1V61 D66V61-S63 VanDerWaalsContact C-N 3.26Å; V61-S63 PolarHBondContact O-N 2.85Å; S63-D66 PolarHBondContact OG-OD2 3.29Å
64D34.4Very low37Very low125 Ų125149.4 Ų149.467%0.66879%0.794SS**SBendtrans-129.252.2157.7-166.929.9000107R30R30-D64 IonicContact CZ-OD2 3.36Å; R30-D64 IonicContact NH1-OD1 3.16Å; R30-D64 IonicContact NH1-OD2 2.95Å; R30-D64 PolarHBondContact NH1-OD2 2.78Å; R30-D64 IonicContact NH2-OD1 3.27Å; R30-D64 PolarHBondContact NH2-OD1 2.8Å; R30-D64 IonicContact NH2-OD2 3.12Å; R30-D64 PolarHBondContact NH2-OD2 3.49Å
65K42.5Very low36.5Very low189 Ų189147.8 Ų147.882%0.82279%0.788SS**SBendtrans-137.2-24.8-171.5-137.6-180-175.6-175.50115.1
66D36.6Very low36Very low134 Ų134150.5 Ų150.572%0.71780%0.796SS**SBendtrans-116.338.8-166.1-48.8-65.2000113.3S63S63-D66 PolarHBondContact OG-OD2 3.29Å
67R39.1Very low35.5Very low237 Ų237149.5 Ų149.589%0.89479%0.79SS**SBendtrans-121.7-1.2-174.3-130175.7-171.61615.7117.7
68D38.1Very low35Very low160 Ų160150.9 Ų150.986%0.85679%0.792SS**SBendtrans-113.414.8-177-72.5-31.5000114.5
69N35.5Very low34.6Very low151 Ų151151.8 Ų151.881%0.80779%0.79SS**SBendtrans-141.273.5178.5-83.9-50.4000113.8
70N37.2Very low34.3Very low167 Ų167145.5 Ų145.589%0.89379%0.786SS**  174.7110.8126.4-99.3-25000111.9
71R34.3Very low34.2Very low227 Ų227148.6 Ų148.686%0.85779%0.788SS**  trans-153.7142.9149.8-146179.6-178.4145.43.3107.6
72D31.3Very low33.8Very low139 Ų139146.9 Ų146.974%0.74379%0.786SS**  trans69.2123.7178.5-42.1-22000113.4
73S32.6Very low33.4Very low112 Ų112145.6 Ų145.678%0.78378%0.777SS**  cis-154.8168.6-2.3-850000112.9
74E33Very low33Very low200 Ų200149.7 Ų149.794%0.93579%0.794SS**  trans-28.8150.7172.5-53.2172.9156.400119.4
75G29.1Very low32.9Very low70 Ų70151 Ų15172%0.72279%0.794SS**  trans165.2122.9155.900000117.8
76V30.4Very low32.2Very low139 Ų139148.5 Ų148.584%0.84279%0.785SS**  trans79.2126.4159.6-169.30000118.6
77D28.6Very low31.7Very low139 Ų139152 Ų15274%0.74379%0.788SS**  trans-82.2168.4179.9-48.2-99.3000114.9
78H33.5Very low31.2Very low185 Ų185145 Ų14586%0.85678%0.781SS**  -17989.8123.3-88-48.5000114.7
79H28.8Very low30.8Very low168 Ų168142 Ų14278%0.77877%0.773SS**  trans39.2108.4131.7-147.7-45.9000123.7
80A30.2Very low30.4Very low90 Ų90139.4 Ų139.474%0.74477%0.766SS**  trans17312814300000108.2
81Q29.3Very low30Very low178 Ų178137.6 Ų137.683%0.83276%0.762SS**  cis64128.739.1-66.4-141.11.500114.6
82A28.7Very low29.8Very low84 Ų84131.3 Ų131.369%0.69475%0.752SS**  cis-150.9176.49.600000115.5
83S30.6Very low30Very low102 Ų102134 Ų13471%0.71376%0.757SS**  trans-33.8165.2158.255.70000117.8
84L30.1Very low29.8Very low148 Ų148136 Ų13678%0.77576%0.758SS**  cis-144.1170.932.2-74166.8000110.3
85K31.6Very low29.5Very low153 Ų153132 Ų13267%0.66575%0.748SS**  cis101.5115.412.7-176.6-177.5176.1-70.40117.2
86E28.1Very low29.8Very low136 Ų136136.6 Ų136.664%0.63675%0.748SS**  trans66161.5168.4-77-169.5107.300118.4
87R26.3Very low30Very low206 Ų206136.8 Ų136.878%0.77774%0.739SS**  cis-179.7132.3-28.2168.4-179.5176.4-179.60.3110.2
88A27.5Very low30.2Very low90 Ų90134.9 Ų134.974%0.74473%0.733SS**  trans61165.2162.700000116.7
89S29.7Very low30.2Very low99 Ų99134.5 Ų134.569%0.69273%0.728SS**  cis-163.8147.6-25.645.80000110.7
90S27.1Very low30.3Very low96 Ų96133.3 Ų133.367%0.67173%0.727SS**  trans57.5136.3142.766.60000122.8
91T28.3Very low30.3Very low129 Ų129133.3 Ų133.379%0.79173%0.727SS**  trans126.6125.2136.6630000119.3
92S30.5Very low30.3Very low95 Ų95128.8 Ų128.866%0.66472%0.715SS**  trans66.2110.8142.658.60000123.5
93K35.2Very low30.5Very low195 Ų195133.1 Ų133.185%0.84872%0.721SS**  56124.9119.7-60.3-179.6178.2-1770117.3
94L29.9Very low30.4Very low153 Ų153134 Ų13480%0.80172%0.721SS**  160169.769.9-159.868.2000107.9
95V26.8Very low30.4Very low118 Ų118137.3 Ų137.372%0.71572%0.724SS**  trans65.393.9168.1-166.60000114
96K35.5Very low30.1Very low165 Ų165136.5 Ų136.572%0.71773%0.727SS**  69.3122.375.6-83.8-169.4143.5-141.60115.2
97E33.2Very low30.1Very low143 Ų143137 Ų13767%0.66873%0.729SS**  trans76150.5132.1-69.7-167.796.100121.4
98V33.4Very low30.5Very low99 Ų99135.1 Ų135.160%0.673%0.727SS**  cis-168.9153.3-30.681.50000109.6
99K33.8Very low30.6Very low177 Ų177136 Ų13677%0.7773%0.728SS**  trans62.4162.1161.6-71.3178174.1175.20115.5
100L29.9Very low30.6Very low144 Ų144136.1 Ų136.175%0.75473%0.728SS**  cis-158.6176.6-25.1-119170.2000108.2
101A30Very low30.8Very low89 Ų89139.7 Ų139.774%0.73673%0.734SS**  trans70.9156.8145.300000118
102S29.3Very low31.1Very low83 Ų83139.1 Ų139.158%0.5873%0.726SS**  cis-171.1148.6-23.61770000108.4
103Q33.4Very low31.1Very low175 Ų175143.3 Ų143.382%0.81873%0.733SS**  trans63.6167.5155.1-78.8157.8-32.800118.2
104V28.2Very low30.9Very low120 Ų120143 Ų14373%0.72773%0.726SS**  cis-171.3164.4-49121.40000108.9
105R30.6Very low31.1Very low219 Ų219141.7 Ų141.783%0.82672%0.716SS**  trans74.8106164.9-91166.8178.5170-0.4119.9
106N26.3Very low31Very low136 Ų136142.7 Ų142.773%0.72772%0.717SS**  56.1142103.5-69.316000124
107E27.8Very low30.5Very low147 Ų147144.2 Ų144.269%0.68772%0.719SS**  trans75146.6143.7-80.1-172134.700119.5
108K34.2Very low30.2Very low166 Ų166146.7 Ų146.772%0.72273%0.73SS**  cis-167.4174.4-18.4-141.3176.6-156.5152.60110.4
109S29.6Very low29.9Very low109 Ų109148.5 Ų148.576%0.76274%0.736SS**  trans72.4159.2166.274.70000116.8
110S29Very low30.4Very low100 Ų100145.5 Ų145.570%0.69974%0.735SS**  cis-152.915310.1-25.70000113.8
111Q32.5Very low30.2Very low171 Ų171141.6 Ų141.680%0.79973%0.73SS**  26.3153.8127.5-95.4174.9-79.900122.7
112D34.1Very low30.3Very low118 Ų118143.3 Ų143.363%0.63173%0.726SS**  cis-165.5-176.78.5-147.4-23000113.4
113K29.8Very low30.8Very low183 Ų183147.3 Ų147.380%0.79673%0.733SS**  trans101.4109168.3-62.9-175.5177.4177.80115.2
114R32.3Very low30.7Very low187 Ų187147.7 Ų147.771%0.70674%0.735SS**  86.6135.763-78.6178.6178.2-95.91.1112.7
115E32.7Very low31.1Very low127 Ų127153.5 Ų153.559%0.59374%0.744SS**  cis-124.9-146.4-3.5-142.185.6-135.700108.3
116N24.5Very low31.3Very low138 Ų138147.4 Ų147.474%0.73874%0.735SS**  cis-148-148.78.5-162.850.2000111.5
117W26.8Very low31.7Very low198 Ų198151.2 Ų151.275%0.7574%0.739SS**  trans-128.6162.6-167.5-71.770.3000110.3
118E26.7Very low32.1Very low195 Ų195153.4 Ų153.491%0.91175%0.746SS**  -139.6171.854.9-65.4-174.3127.200116.8
119N27Very low32.2Very low136 Ų136154.1 Ų154.173%0.72775%0.749SS**  trans-149-165.3-174-136.9-13.8000108
120P43.6Very low32.3Very low115 Ų115153.2 Ų153.275%0.74774%0.743SS**  cis-106.9-146.6-0.546-34.7000111.4
121G26Very low32.7Very low62 Ų62152.7 Ų152.764%0.63975%0.745SS**  cis-176.6173.210.700000111
122D31.8Very low32.5Very low124 Ų124152.9 Ų152.966%0.66375%0.746SS**  cis96.9132.427.5-82.3-13000115.1
123K39.5Very low32.4Very low167 Ų167154.8 Ų154.873%0.72675%0.751SS**  cis-169.5150-3.2-128.7161.4-163.8130.90113
124Q31.7Very low32.5Very low183 Ų183153 Ų15386%0.85574%0.744SS**  trans160114.3142.4-90.6177.210.600109.8
125R37.3Very low32.5Very low242 Ų242150.9 Ų150.991%0.91375%0.745SS**  66.4132.371-83.8-167.6165.5-172.6-3114.9
126S34.7Very low32.3Very low92 Ų92150.5 Ų150.564%0.64375%0.747SS**  cis-158-152.23.3460000110.2
127R33.3Very low32.4Very low215 Ų215150.5 Ų150.581%0.81175%0.747SS**  cis-176.4145.720.3-142.2171.2-175.3176.31.5111.3
128K36Very low32.6Very low194 Ų194147.6 Ų147.684%0.84375%0.746SS**  trans67.3149.7161-75.5-178175.9-1740119.4
129K38Very low32.7Very low180 Ų180146.5 Ų146.578%0.78374%0.741SS**  cis-169.2148.9-17.6-164.4-159177.6-151.50112
130S30.8Very low32.8Very low90 Ų90148.8 Ų148.863%0.62975%0.747SS**  trans63.6135.3160.133.10000119.3
131A36.9Very low32.1Very low90 Ų90147.8 Ų147.874%0.74474%0.742SS**  cis84.8147.925.800000114.1
132E29.9Very low32.2Very low175 Ų175151.9 Ų151.982%0.81875%0.75SS**  cis-131.816921.7-84.7129.5137.500112.7
133E31.5Very low32.1Very low157 Ų157154.6 Ų154.673%0.73476%0.759SS**  56136.969.2-149.3177.7145.500115
134K31.9Very low32.5Very low147 Ų147152.1 Ų152.164%0.63976%0.76SS**  cis-137.5173.617.2-147172.7-171.377.20110.1
135L31.3Very low32.5Very low142 Ų142150.4 Ų150.474%0.74375%0.751SS**  cis88.6140.517.9-104.2-180000119.4
136D28.4Very low32.1Very low118 Ų118147.1 Ų147.163%0.63174%0.744SS**  trans79.9133.9169.3-56.2-47.7000124.1
137D26.7Very low32.3Very low138 Ų138149 Ų14974%0.73875%0.751SS**  trans65.7134.8145.6-76.3-22.1000128.5
138L31Very low32.7Very low138 Ų138143.7 Ų143.772%0.72375%0.745SS**  trans60.4149.3136.6-71.4165.8000121.3
139E30Very low32.6Very low172 Ų172142.4 Ų142.480%0.80474%0.742SS**  cis-157.7-166.5-4.8-157.9161.5-157.200109.4
140E28.7Very low32.4Very low183 Ų183140.6 Ų140.686%0.85574%0.74SS**  trans72.3133.7162.5-159.7173.5-132.400116.5
141S28.9Very low32.3Very low94 Ų94142.8 Ų142.866%0.65774%0.744SS**  cis-178.4157.8-20.5-104.60000106.4
142D27.7Very low32Very low149 Ų149142.7 Ų142.780%0.79774%0.738SS**  cis-147.4169.6-2.1-82.9-37.6000109.9
143E30.2Very low32.1Very low181 Ų181142.7 Ų142.785%0.84674%0.736SS**  trans-76.4178.6159.4-88-163.5143.400112.1
144P48.3Very low32.1Very low115 Ų115140.9 Ų140.975%0.74773%0.73SS**  cis-129.4-165.3-38.836.2-18.6000110.6
145E30.3Very low32.2Very low146 Ų146142.1 Ų142.168%0.68274%0.739SS**  171.4130.8125.3-178.4155.2-143.900114.1
146K29.4Very low32.3Very low174 Ų174139.5 Ų139.576%0.75773%0.732SS**  trans43.2121.2157.7-73.3166-171.5148.20122.8
147V38.5Very low32.7Very low132 Ų132141 Ų14180%0.874%0.74SS**  trans-61.6157.8144-138.70000110.7
148P42.5Very low32.8Very low103 Ų103139.8 Ų139.867%0.66973%0.734SS**  -149.9149.191.337.8-20.4000117.1
149E34Very low33Very low167 Ų167142.3 Ų142.378%0.7874%0.742SS**  trans63157.4138.2-64.5175.2168.300119.5
150L33.2Very low33.2Very low141 Ų141141 Ų14174%0.73874%0.74SS**  cis-158.8177.4-12.8-106.8167.1000105.8
151D28.5Very low33.8Very low137 Ų137139.4 Ų139.473%0.73374%0.738SS**  cis-153.2-175.612.8-163.79.2000111.5
152S31.3Very low34Very low88 Ų88144.1 Ų144.162%0.61575%0.749SS**  trans-33146.2160.1-166.50000116.5
153F30.9Very low34.3Very low174 Ų174142 Ų14276%0.76375%0.745SS**  cis87.9126.434.3-139.9-121.1000114.9
154L33.1Very low34.5Very low119 Ų119141.6 Ų141.662%0.62375%0.745SS**  trans71.5142.5168.8-54.7-174.6000117.8
155Q32.5Very low33.7Very low173 Ų173144 Ų14481%0.80875%0.752SS**  cis69.7136.547.5-67.4-178.1-4.800112.8
156S34.2Very low34.3Very low88 Ų88146.7 Ų146.762%0.61576%0.764SS**  cis-169.9159.10.643.80000111.6
157D36Very low34.8Very low148 Ų148146.7 Ų146.779%0.79177%0.767SS**  trans60.5169.5160-51.4-30.2000116.5
158N30.3Very low34.7Very low113 Ų113148.4 Ų148.460%0.60477%0.766SS**  cis-149.1142.79.4-165.870000110.6D160N158-D160 PolarHBondContact ND2-OD2 2.72Å
159E33.8Very low34.4Very low191 Ų191151.7 Ų151.789%0.89378%0.777SS**  trans-137.4122.2171.6-63.8-85.4174.500107.9
160D34.6Very low34.6Very low144 Ų144151.1 Ų151.177%0.7778%0.78SS**  trans-96.7168.2-179.1-84.2-70.6000112.5N158N158-D160 PolarHBondContact ND2-OD2 2.72Å
161D40.4Very low34.9Very low150 Ų150151.9 Ų151.980%0.80278%0.784SS**  trans-59.5137.6-177.3-87.9-51.6000114.6
162E34.8Very low35.4Very low193 Ų193153.4 Ų153.490%0.90279%0.792SS**  trans-148.2138.9131.7-125.4176.2-137.800111.1
163C33.3Very low35.9Very low105 Ų105158.8 Ų158.871%0.70981%0.807SS**  trans-92.7144.6-166.1-47.70000113.3
164M34Very low36.2Very low173 Ų173153.4 Ų153.485%0.85280%0.801SS**  trans-136151.3162.5-76.5-67.5149.800110.4
165D32.8Very low36.1Very low166 Ų166158.2 Ų158.289%0.88882%0.817SS**  trans-74.3154.9-156-63-73.2000116.8
166E41.1Very low36Very low201 Ų201157.7 Ų157.794%0.93982%0.82SS**  trans-103.586.6-173.1-173.9173.4-147.900111.4
167E40.2Very low35.7Very low174 Ų174162 Ų16281%0.81383%0.828SS**  trans-146.1153.1168-126.9174.4-142.800110.8
168H37.7Very low35.4Very low168 Ų168162.2 Ų162.278%0.77883%0.829SS**  trans74.176.6-176.2-56.7-64.7000119.2
169L35.7Very low35.6Very low172 Ų172164.3 Ų164.390%0.90184%0.84SS**  trans-150.748.5147.1-92.7-163.7000113.7
170D37.9Very low35.6Very low156 Ų156162.3 Ų162.383%0.83483%0.83SS**  trans-88.2-14.6172.6-74.1-55.5000114.1L172D170-L172 PolarHBondContact O-N 2.76Å
171D39.4Very low35.7Very low157 Ų157163 Ų16384%0.8483%0.829SS**THydrogen-bonded Turntrans-97.352.9-170.4-77.6-54000114.6
172L39Very low35.1Very low169 Ų169161.4 Ų161.489%0.88583%0.829SS**THydrogen-bonded Turntrans-152.134.5163.6-145.470.4000116.4D170 G174D170-L172 PolarHBondContact O-N 2.76Å; L172-G174 PolarHBondContact O-N 3.31Å
173E43.2Very low34.8Very low200 Ų200159.7 Ų159.794%0.93583%0.826SS**  trans-81.2110.4160.6-175.4169.8-125.400109.9
174G36Very low34.6Very low62 Ų62163.8 Ų163.864%0.63984%0.835SS**  trans149.171.4172.700000116.4L172L172-G174 PolarHBondContact O-N 3.31Å
175F31.6Very low34.4Very low219 Ų219163.1 Ų163.196%0.96183%0.83SS**  trans-144.4124.3149.4-112.2-77.4000110.3
176D29.2Very low34.2Very low162 Ų162163.7 Ų163.787%0.86682%0.824SS**  trans-83.9167.1-176.1-154.4-6000111.7
177F29.2Very low33.7Very low179 Ų179161.8 Ų161.879%0.78582%0.815SS**  trans-110.5115-160.8-172.8-82.6000112.4
178D29.6Very low33.2Very low153 Ų153160.7 Ų160.782%0.81882%0.815SS**  trans-157.2121.8159.3-133.4-15.6000113.7
179L33.2Very low32.6Very low157 Ų157159 Ų15982%0.82282%0.816SS**  154.5141.8123-161.662.6000112.1
180E35.5Very low32.9Very low149 Ų149156.1 Ų156.170%0.69681%0.808SS**  trans-99.4162.7-174.4-79.1-161.483.100115
181Q36.3Very low32.3Very low158 Ų158155.3 Ų155.374%0.73880%0.799SS**  trans59.1127.4152.2-66.8162.24700117.7
182S27.9Very low31.8Very low116 Ų116155.2 Ų155.281%0.81179%0.791SS**  -171.9173.261.645.40000112.1
183N28.5Very low31.3Very low158 Ų158152 Ų15285%0.84578%0.782SS**  trans-108.3146.4174.9-57.1-82.7000110.8
184Q28.6Very low30.6Very low190 Ų190150 Ų15089%0.88878%0.777SS**  trans-167.8174.9134.8-112.7169.26.600113.5
185E29.9Very low30.3Very low159 Ų159153.6 Ų153.674%0.74378%0.778SS**  trans-108.8151.5-159.3-47.9137117.700113.3
186K29.5Very low30.3Very low178 Ų178149.9 Ų149.977%0.77476%0.761SS**  157.2118.2119.8-87.6177.3178.9-176.50115.4
187E29.4Very low30.4Very low161 Ų161148.1 Ų148.175%0.75275%0.752SS**  46.8143114.8-132.5-176.7157.500123.4
188L29.5Very low30.4Very low152 Ų152146 Ų14680%0.79675%0.748SS**  trans91.8142161.1-54179000120.5
189T26.1Very low30.6Very low132 Ų132144.9 Ų144.981%0.8175%0.747SS**  trans-128-173.8-179.460.20000108.3
190P40.6Very low30.6Very low111 Ų111144.5 Ų144.572%0.72175%0.746SS**  cis-137.7-155.10.333.4-7.6000114.6
191E26.1Very low30.3Very low139 Ų139142.6 Ų142.665%0.6575%0.749SS**  trans94.1109156.1-68.6-79.892.400123.5
192K30Very low30.3Very low156 Ų156140.6 Ų140.668%0.67875%0.748SS**  trans57.8108.2134.4-68.5-172.1-179.3750125.6
193S27.4Very low30.8Very low100 Ų100142.3 Ų142.370%0.69975%0.753SS**  90.7136.5113.176.10000124.6
194L29.1Very low31.1Very low159 Ų159139 Ų13983%0.83274%0.743SS**  trans60.1148159-91.675.7000119.6
195E29.8Very low31.6Very low138 Ų138137.8 Ų137.865%0.64574%0.737SS**  cis-157.1162-16-148.8-155.9163.800111
196K31.6Very low32.3Very low141 Ų141133.1 Ų133.161%0.61372%0.72SS**  trans67.5118.6157.6-81.3-177.2-179.970.50122.4
197N30.6Very low33.4Very low125 Ų125130.4 Ų130.467%0.66871%0.71SS**  100.6102.6127.3-67.40.3000122.2
198N30.2Very low34.9Very low134 Ų134128.5 Ų128.572%0.71770%0.7SS**  trans96.1124.1130.5-62.6-15.5000121.3
199T32.7Very low36.5Very low130 Ų130125.6 Ų125.680%0.79868%0.681SS**  trans52.5107.7147.255.40000116.8
200D32.6Very low38.2Very low148 Ų148123.2 Ų123.279%0.79167%0.666SS**  -141.8169.166.6-138.1-31.2000115.1
201S30.9Very low39Very low110 Ų110124.6 Ų124.677%0.76966%0.661SS**PPolyproline II helixtrans-99.6122.7-167.7-560000114.7
202T36.2Very low40.4Very low116 Ų116125 Ų12571%0.71266%0.663SS**PPolyproline II helixtrans-77.7144.2161.845.50000111.1
203V36.8Very low41.5Very low151 Ų151120.2 Ų120.292%0.91565%0.647SS**PPolyproline II helixtrans-69.7132.5178.4173.10000110.3
204S35.1Very low42.7Very low89 Ų89127.9 Ų127.962%0.62266%0.66SS**PPolyproline II helixtrans-68.4133-168.5-162.10000114.2
205Q39.9Very low43.9Very low165 Ų165122.8 Ų122.877%0.77163%0.634SS**PPolyproline II helixtrans-65.1152.4151.4-72.9-75.2-17.900109.6E207Q205-E207 PolarHBondContact O-N 3.46Å; Q205-E207 VanDerWaalsContact O-N 3.14Å
206P43.9Very low45.2Very low60 Ų60121.1 Ų121.139%0.3964%0.635SS.*  trans-74.1102.5174.829.9-32.6000110.5
207E52.6Low46.2Very low121 Ų121123.6 Ų123.657%0.56564%0.64SS**  trans-78.2126.3179.4-167.9-170.9-120.700111.7Q205 K224Q205-E207 PolarHBondContact O-N 3.46Å; Q205-E207 VanDerWaalsContact O-N 3.14Å; E207-K224 PolarHBondContact O-N 3.39Å; E207-K224 IonicContact OE2-NZ 3.57Å; E207-K224 PolarHBondContact OE2-NZ 3.33Å
208F61.4Low47.2Very low122 Ų122122.8 Ų122.854%0.53564%0.635SS.*EExtended strand (participates in β ladder)trans-91.6148.6168.1-66.5-101.2000110I221 G222 R223F208-I221 HydrophobicContact CB-CG2 4.35Å; F208-I221 HydrophobicContact CD1-CG2 4.17Å; F208-G222 WeakPolarHBondContact CA-O 3.47Å; F208-R223 HydrophobicContact CD1-CB 3.86Å; F208-R223 HydrophobicContact CD1-CG 4.36Å; F208-R223 HydrophobicContact CE1-CB 3.65Å; F208-R223 HydrophobicContact CE1-CG 3.95Å; F208-R223 HydrophobicContact CZ-CB 4.31Å; F208-R223 HydrophobicContact CZ-CG 4.09Å
209F63.6Low48.5Very low90 Ų90121.1 Ų121.140%0.39563%0.626SS.*EExtended strand (participates in β ladder)trans-124.3137.4170.169.5-78.4000110.9K211 I221 G222 K224F209-K211 HydrophobicContact CD2-CB 4.22Å; F209-K211 HydrophobicContact CE2-CB 4.14Å; F209-I221 WeakPolarHBondContact O-CA 3.26Å; F209-G222 WeakPolarHBondContact CD1-O 3.22Å; F209-G222 PolarHBondContact N-O 3.5Å; F209-G222 PolarHBondContact O-N 3.4Å; F209-K224 HydrophobicContact CD1-CD 4.31Å; F209-K224 VanDerWaalsContact CD1-CE 3.44Å; F209-K224 HydrophobicContact CD1-CG 3.92Å; F209-K224 HydrophobicContact CE1-CG 4.09Å
210V60.4Low49.7Very low83 Ų83120 Ų12050%0.50361%0.614SS.*EExtended strand (participates in β ladder)trans-96.9112.5170.6-172.60000107.6Q212 L219 I221V210-Q212 PolarHBondContact O-N 3.35Å; V210-L219 HydrophobicContact CG1-CB 3.89Å; V210-L219 HydrophobicContact CG1-CD1 4.34Å; V210-L219 HydrophobicContact CG1-CD2 3.99Å; V210-L219 HydrophobicContact CG1-CG 4.29Å; V210-I221 HydrophobicContact CG1-CG1 4.4Å; V210-I221 HydrophobicContact CG2-CD1 4.33Å; V210-I221 HydrophobicContact CG2-CG1 4.13Å
211K58.5Low51.3Low140 Ų140118.2 Ų118.261%0.60960%0.603SS**EExtended strand (participates in β ladder)trans-9192.1175.1-160.4175.6-174.8-177.60108.7F209 T213 I220F209-K211 HydrophobicContact CD2-CB 4.22Å; F209-K211 HydrophobicContact CE2-CB 4.14Å; K211-T213 PolarHBondContact O-N 2.81Å; K211-I220 PolarHBondContact N-O 3.19Å
212Q55.8Low52.5Low147 Ų147113.8 Ų113.869%0.68758%0.575SS**EExtended strand (participates in β ladder)trans-62.5123.3173.9-167.5173.526.500109.3V210 L219V210-Q212 PolarHBondContact O-N 3.35Å; Q212-L219 HydrophobicContact CB-CD2 4.25Å; Q212-L219 HydrophobicContact CG-CD2 4.03Å
213T53.6Low53.4Low56 Ų56116 Ų11634%0.34457%0.57SS.*  trans-90.2-179.8173.3700000110.2K211 D215 L218 I220K211-T213 PolarHBondContact O-N 2.81Å; T213-D215 VanDerWaalsContact C-N 3.27Å; T213-D215 PolarHBondContact O-N 3.3Å; T213-D215 PolarHBondContact OG1-O 3.49Å; T213-L218 PolarHBondContact OG1-O 3.36Å; T213-L218 VanDerWaalsContact OG1-O 3.08Å; T213-I220 HydrophobicContact CG2-CD1 4.36Å
214R52.5Low54Low261 Ų261112.9 Ų112.999%0.98554%0.544SS*.SBendtrans-74.4-10.2177.3-87.1-177.3172.2160.2-3.7114.3
215D54.1Low54.1Low51 Ų51114.9 Ų114.927%0.27355%0.548SS..SBendtrans-97.9122.6165.8-169.5-43.5000108.8T213 R217 L218T213-D215 VanDerWaalsContact C-N 3.27Å; T213-D215 PolarHBondContact O-N 3.3Å; T213-D215 PolarHBondContact OG1-O 3.49Å; D215-R217 PolarHBondContact O-N 3.41Å; D215-R217 VanDerWaalsContact O-N 3.1Å; D215-R217 VanDerWaalsContact OD1-CB 3.3Å; D215-R217 WeakPolarHBondContact OD1-CB 3.47Å; D215-R217 IonicContact OD1-CZ 2.59Å; D215-R217 PolarHBondContact OD1-N 3.46Å; D215-R217 IonicContact OD1-NE 3.79Å; D215-R217 PolarHBondContact OD1-NE 3.41Å; D215-R217 VanDerWaalsContact OD1-NE 3.12Å; D215-R217 IonicContact OD1-NH2 3.93Å; D215-R217 IonicContact OD2-CZ 2.67Å; D215-R217 IonicContact OD2-NE 2.86Å; D215-R217 IonicContact OD2-NH2 3.66Å; D215-R217 PolarHBondContact OD2-NH2 3.33Å; D215-L218 PolarHBondContact O-N 3.04Å
216P56.9Low53.8Low103 Ų103111.7 Ų111.767%0.66954%0.544SS*.THydrogen-bonded Turntrans-64.5-11.6-179.427.4-35.7000114.2
217R51.9Low53.2Low193 Ų193115.2 Ų115.273%0.72857%0.565SS**THydrogen-bonded Turntrans-88.1-4.2178.3-62.5169.9-67.6-177.33.6114D215D215-R217 PolarHBondContact O-N 3.41Å; D215-R217 VanDerWaalsContact O-N 3.1Å; D215-R217 VanDerWaalsContact OD1-CB 3.3Å; D215-R217 WeakPolarHBondContact OD1-CB 3.47Å; D215-R217 IonicContact OD1-CZ 2.59Å; D215-R217 PolarHBondContact OD1-N 3.46Å; D215-R217 IonicContact OD1-NE 3.79Å; D215-R217 PolarHBondContact OD1-NE 3.41Å; D215-R217 VanDerWaalsContact OD1-NE 3.12Å; D215-R217 IonicContact OD1-NH2 3.93Å; D215-R217 IonicContact OD2-CZ 2.67Å; D215-R217 IonicContact OD2-NE 2.86Å; D215-R217 IonicContact OD2-NH2 3.66Å; D215-R217 PolarHBondContact OD2-NH2 3.33Å
218L51.5Low52Low108 Ų108115 Ų11557%0.56558%0.577SS**  trans-12295.9-178.8-66.9177.3000112T213 D215T213-L218 PolarHBondContact OG1-O 3.36Å; T213-L218 VanDerWaalsContact OG1-O 3.08Å; D215-L218 PolarHBondContact O-N 3.04Å
219L57.8Low50.4Low100 Ų100114.4 Ų114.452%0.52459%0.588SS.*EExtended strand (participates in β ladder)trans-103.6110.4173.6-62.2-177000110.3V210 Q212V210-L219 HydrophobicContact CG1-CB 3.89Å; V210-L219 HydrophobicContact CG1-CD1 4.34Å; V210-L219 HydrophobicContact CG1-CD2 3.99Å; V210-L219 HydrophobicContact CG1-CG 4.29Å; Q212-L219 HydrophobicContact CB-CD2 4.25Å; Q212-L219 HydrophobicContact CG-CD2 4.03Å
220I58.4Low48.6Very low106 Ų106118.5 Ų118.554%0.54461%0.605SS.*EExtended strand (participates in β ladder)trans-91.5116.1177-58.5175.4000108.8K211 T213K211-I220 PolarHBondContact N-O 3.19Å; T213-I220 HydrophobicContact CG2-CD1 4.36Å
221I64.4Low47.2Very low110 Ų110119.2 Ų119.256%0.56462%0.62SS**EExtended strand (participates in β ladder)trans-102.7116.8-179.9-48.3-172.1000109.9F208 F209 V210F208-I221 HydrophobicContact CB-CG2 4.35Å; F208-I221 HydrophobicContact CD1-CG2 4.17Å; F209-I221 WeakPolarHBondContact O-CA 3.26Å; V210-I221 HydrophobicContact CG1-CG1 4.4Å; V210-I221 HydrophobicContact CG2-CD1 4.33Å; V210-I221 HydrophobicContact CG2-CG1 4.13Å
222G57.3Low45.8Very low17 Ų17119.9 Ų119.918%0.17563%0.626CS.*EExtended strand (participates in β ladder)trans-112.8133.918000000112.9F208 F209F208-G222 WeakPolarHBondContact CA-O 3.47Å; F209-G222 WeakPolarHBondContact CD1-O 3.22Å; F209-G222 PolarHBondContact N-O 3.5Å; F209-G222 PolarHBondContact O-N 3.4Å
223R54.4Low44.5Very low162 Ų162117.1 Ų117.161%0.61162%0.623SS**EExtended strand (participates in β ladder)trans-91.2126.6170.4-175.9176171.3166.5-0.1110F208F208-R223 HydrophobicContact CD1-CB 3.86Å; F208-R223 HydrophobicContact CD1-CG 4.36Å; F208-R223 HydrophobicContact CE1-CB 3.65Å; F208-R223 HydrophobicContact CE1-CG 3.95Å; F208-R223 HydrophobicContact CZ-CB 4.31Å; F208-R223 HydrophobicContact CZ-CG 4.09Å
224K50.7Low43.4Very low86 Ų86124 Ų12437%0.37465%0.648SS.*  trans-89.8127.8176-54.2173.1-166.7171.20110E207 F209E207-K224 PolarHBondContact O-N 3.39Å; E207-K224 IonicContact OE2-NZ 3.57Å; E207-K224 PolarHBondContact OE2-NZ 3.33Å; F209-K224 HydrophobicContact CD1-CD 4.31Å; F209-K224 VanDerWaalsContact CD1-CE 3.44Å; F209-K224 HydrophobicContact CD1-CG 3.92Å; F209-K224 HydrophobicContact CE1-CG 4.09Å
225N35.3Very low42.4Very low131 Ų131116.2 Ų116.270%0.70164%0.639SS**  trans-100.6109.1164.9-78.2-5.5000108.8T227N225-T227 PolarHBondContact O-N 3.14Å
226S34Very low41.2Very low99 Ų99118.6 Ų118.669%0.69266%0.66SS**  trans-82.677.3-173.3-60.30000112.9
227T31.1Very low39.9Very low133 Ų133123 Ų12382%0.81667%0.668SS**  trans-97.699.116051.10000110.4N225N225-T227 PolarHBondContact O-N 3.14Å
228S28.3Very low38.8Very low117 Ų117117.9 Ų117.982%0.81866%0.662SS**  trans-69.6149.6148.748.50000108.8
229S28.4Very low37.7Very low109 Ų109120 Ų12076%0.76267%0.672SS**  cis-150.7144.80.350.20000111.1
230F25.8Very low36.3Very low176 Ų176120.9 Ų120.977%0.77269%0.687SS**  trans-142.1134.7139.7-154.3-108.9000109.3E232F230-E232 HydrophobicContact CD1-CB 4.22Å; F230-E232 HydrophobicContact CE1-CB 4Å
231A30.3Very low34.9Very low99 Ų99119.3 Ų119.382%0.81870%0.698SS**  trans-126.4107.6-178.900000108.3
232E28.3Very low33.6Very low153 Ų153120.9 Ų120.972%0.71571%0.707SS**  trans-123.7119.8179.3-168.6132.7-116.600111.9F230F230-E232 HydrophobicContact CD1-CB 4.22Å; F230-E232 HydrophobicContact CE1-CB 4Å
233S29.9Very low32.9Very low90 Ų90125.4 Ų125.463%0.62973%0.733SS**  trans30.1113.6158.565.60000122.2
234K30.5Very low32.2Very low201 Ų201124.4 Ų124.487%0.87474%0.739SS**  63.4142.4120.5-64.1178.1177.6176.90121.2
235A30.4Very low31.3Very low97 Ų97128.3 Ų128.380%0.80276%0.759SS**  trans71.1151.115700000117
236S29.8Very low31.1Very low100 Ų100127.4 Ų127.470%0.69976%0.758SS**  cis-172.3156.3-2653.60000109.5
237K30.2Very low31.2Very low195 Ų195127.3 Ų127.385%0.84876%0.764SS**  trans55.4109.8157.5-78.6-174.5174.8-176.20117.4
238S27.7Very low31.3Very low87 Ų87128.1 Ų128.161%0.60876%0.76SS**  86125.669.474.60000116.1
239I28.7Very low31.6Very low151 Ų151130.6 Ų130.677%0.77476%0.758SS**  trans79127.9146.3-62.4157.8000119.3
240S29Very low31.7Very low119 Ų119132.7 Ų132.783%0.83276%0.761SS**  trans62.7153.6154.770.40000120.9
241G28.8Very low32Very low74 Ų74129.1 Ų129.176%0.76376%0.758SS**  trans14669.1159.700000116.1
242D36.6Very low32.1Very low143 Ų143127.4 Ų127.477%0.76575%0.75SS**  trans-92.3135.1148.1176.233.6000106.7
243P42.8Very low32.2Very low111 Ų111128.2 Ų128.272%0.72176%0.759SS**  -148.4157.6118.639.1-24.2000116.1
244L39.5Very low32.6Very low142 Ų142130.7 Ų130.774%0.74376%0.761SS**  trans-59.2153.1153.9-79.568000111.6
245E32Very low32.9Very low168 Ų168131 Ų13179%0.78576%0.758SS**  171.2158.6105.6-97.6-152.2122.900116.5
246T30.9Very low32.9Very low112 Ų112129.6 Ų129.669%0.68775%0.753SS**  trans58.7116.3149.753.20000123.4
247A36Very low32.9Very low97 Ų97135.8 Ų135.880%0.80276%0.761SS**  trans161.5106130.300000107.7
248M34.5Very low32.9Very low149 Ų149132.6 Ų132.673%0.73475%0.754SS**  cis74.3122.843.4-65.5-164.667.200116.1
249E33.4Very low33.1Very low169 Ų169131.4 Ų131.479%0.7976%0.755SS**  trans68.2151.6166.2-66.6156.1-161.600115.8
250D29.6Very low33.2Very low154 Ų154132 Ų13282%0.82475%0.754SS**  cis-148177.720.2-170.424000113.8
251S33.2Very low33.4Very low100 Ų100134.6 Ų134.670%0.69975%0.751SS**  trans-26.1157.8173.6-152.70000119.8
252G32.1Very low33.4Very low63 Ų63142.3 Ų142.365%0.64976%0.757SS**  cis119.1119.3-2.700000114.5
253D31.6Very low33.1Very low170 Ų170140.8 Ų140.891%0.90975%0.752SS**  trans-156.4178.6164.761.3-14.6000112.8
254E37.9Very low32.6Very low143 Ų143142.3 Ų142.367%0.66876%0.76SS**  trans-137.2176.2-146.6-163.9-171.7-178.200114.8
255Y36.3Very low32.1Very low206 Ų206139 Ų13981%0.80876%0.76SS**  trans83.4126.4168.2-55.3-85.2000118.1
256G30.3Very low31.9Very low69 Ų69135.9 Ų135.971%0.71176%0.757SS**  cis157.6155.3-12.200000114.3
257R29.7Very low31.8Very low229 Ų229137.3 Ų137.386%0.86476%0.76SS**  trans54148160.8-69.8-173.9166.7-108.97.5119.4
258D30.8Very low31.8Very low129 Ų129138.9 Ų138.969%0.6976%0.76SS**  cis-160.6163.2-11-90.4-32.9000106.1
259G30.6Very low31.8Very low61 Ų61138 Ų13863%0.62976%0.763SS**  cis166.2144.3-3.800000111
260E30.9Very low31.5Very low164 Ų164135.5 Ų135.577%0.76676%0.764SS**  trans67.3143.6179.7-47.2-164.7126.100116.7
261K35Very low32.1Very low174 Ų174133.9 Ų133.976%0.75776%0.762SS**  cis-157.9163.427.9-130.5138-170.5155.10114.1
262R28.9Very low32Very low235 Ų235135.4 Ų135.489%0.88777%0.767SS**  trans-49.9165.6168.6-69-173.4-177.3-156.71.6115.3
263V30.3Very low32Very low112 Ų112143.6 Ų143.668%0.67978%0.779SS**  cis-174.5166-1.8131.60000111.3
264T32.2Very low32.1Very low142 Ų142147.4 Ų147.487%0.87178%0.78SS**  trans68.6148.2162.741.90000122.7
265G28.6Very low32Very low72 Ų72146.2 Ų146.274%0.74279%0.785SS**  trans101.481.9158.700000114.7
266S27.8Very low32Very low104 Ų104148.4 Ų148.473%0.72779%0.792SS**  62.2101.377.4-168.30000114.4
267D29.2Very low32Very low141 Ų141157 Ų15775%0.75480%0.803SS**  trans49.5119.7138.9-47.8-68.2000121.2
268T34.9Very low32Very low130 Ų130150.7 Ų150.780%0.79880%0.8SS**  -169.1137.6118.813.70000114.4
269T33.7Very low32Very low132 Ų132149.6 Ų149.681%0.8181%0.808SS**  trans58.9118.8151.655.10000121.6
270S29.1Very low32.2Very low116 Ų116158.5 Ų158.581%0.81182%0.823SS**  trans-75.6-172.4164.7-47.60000112.8
271P41.6Very low32.2Very low120 Ų120155.7 Ų155.778%0.77983%0.828SS**  -127.3153.7-73.537-22.7000112.6
272T30.9Very low32.1Very low131 Ų131153.1 Ų153.180%0.80483%0.832SS**  trans-137.6126.3172.125.50000115.7
273R32.8Very low32.5Very low235 Ų235149.8 Ų149.889%0.88783%0.83SS**  trans58.687.9151.4-58.6-179.8178-153-2.9118.1
274R32Very low32.5Very low250 Ų250150.1 Ų150.194%0.94384%0.838SS**PPolyproline II helixtrans-70.2135.5151.7-98.9-175.9174.9172.80.1110.4
275P36Very low32.6Very low118 Ų118153.6 Ų153.677%0.76684%0.841SS**PPolyproline II helixtrans-83.2160.5178.933.4-35.5000112.9
276R36.7Very low33Very low253 Ų253154.4 Ų154.496%0.95584%0.841SS**PPolyproline II helixtrans-61.7138.3171.2-67.2177.3168.8113.1-2.6111
277R30.5Very low33.6Very low248 Ų248153.8 Ų153.894%0.93685%0.851SS**  trans-139.7139.8158.4-154.5177.5-164.8-147.73110.7
278A30.6Very low34Very low98 Ų98154.6 Ų154.681%0.8185%0.854SS**  trans-91.1149.5174.700000111
279A30.2Very low34.3Very low105 Ų105158.8 Ų158.887%0.86886%0.855SS**  trans-141.3126.6163.400000109.6
280R33.8Very low34.5Very low248 Ų248159.5 Ų159.594%0.93685%0.854SS**  trans-129140.9164.4-105.3-170.3171.9-158.7-1.9107.2
281A31.3Very low35.1Very low106 Ų106161.2 Ų161.288%0.87685%0.853SS**  trans59.1101.7165.100000118
282S33Very low35Very low119 Ų119161 Ų16183%0.83285%0.851SS**  trans-16662.7148.862.60000113.9
283I36.8Very low35.4Very low165 Ų165162.2 Ų162.285%0.84685%0.851SS**  trans-139.1116.5155.7-34.5174.9000108.9
284S29.9Very low35.7Very low120 Ų120159.6 Ų159.684%0.83985%0.849SS**  trans-157.864.7177.7-66.50000109.5
285F35.6Very low36.3Very low214 Ų214156.6 Ų156.694%0.93984%0.843SS**  trans-140.165.3-179.5-110.8-80.4000111.6
286A36.4Very low36.7Very low90 Ų90156.9 Ų156.974%0.74485%0.845SS**  trans-143110.8163.200000107.6I288A286-I288 PolarHBondContact O-N 3.19Å
287G41.4Very low36.7Very low91 Ų91148 Ų14894%0.93883%0.832SS**  trans-80.896-168.700000113.4
288I36.6Very low37.4Very low158 Ų158145.7 Ų145.781%0.8183%0.832SS**  trans-119.6127.5167.1-57.5179.6000108.2A286A286-I288 PolarHBondContact O-N 3.19Å
289R41.3Very low38.1Very low218 Ų218145.3 Ų145.382%0.82383%0.829SS**  trans-83.5145.5-177.2-67.1-167.3-176.8-160.73.5112.6L291R289-L291 PolarHBondContact O-N 3.46Å
290D38.9Very low39.2Very low147 Ų147148.5 Ų148.579%0.78683%0.826SS**  trans30.186.9145.3-54.7-46.2000117.9
291L41.6Very low40Very low152 Ų152147 Ų14780%0.79682%0.82SS**  trans-100.5125152.4-70.1178.9000109.4R289 I293R289-L291 PolarHBondContact O-N 3.46Å; L291-I293 PolarHBondContact O-N 2.78Å
292P39.4Very low41.4Very low115 Ų115146.2 Ų146.275%0.74780%0.799SS**  trans-72.5101178.728.9-33.4000110Q294P292-Q294 VanDerWaalsContact C-N 3.32Å; P292-Q294 PolarHBondContact O-N 3.4Å
293I38.4Very low43.3Very low157 Ų157144.2 Ų144.281%0.80578%0.782SS**  trans-64.792.2174.9-55.4177.1000109L291 K295L291-I293 PolarHBondContact O-N 2.78Å; I293-K295 PolarHBondContact O-N 3.01Å; I293-K295 VanDerWaalsContact O-N 3.11Å
294Q40.1Very low44.7Very low179 Ų179146.4 Ų146.484%0.83678%0.78SS**  trans-62.3113.9166-71.7-162.426.300108.1P292 P296P292-Q294 VanDerWaalsContact C-N 3.32Å; P292-Q294 PolarHBondContact O-N 3.4Å; Q294-P296 WeakPolarHBondContact O-CD 3.37Å
295K44.7Very low46.3Very low188 Ų188146.1 Ų146.182%0.81777%0.768SS**PPolyproline II helixtrans-60.8122.6169.5-62.9173.1-176.6173.60107.2I293 G297I293-K295 PolarHBondContact O-N 3.01Å; I293-K295 VanDerWaalsContact O-N 3.11Å; K295-G297 PolarHBondContact O-N 3.01Å; K295-G297 VanDerWaalsContact O-N 3.14Å
296P42.6Very low48Very low124 Ų124139.8 Ų139.881%0.80574%0.742SS**PPolyproline II helixtrans-56.2126.1166.424.2-32.2000107.4Q294Q294-P296 WeakPolarHBondContact O-CD 3.37Å
297G37.5Very low49.8Very low67 Ų67141.8 Ų141.869%0.69173%0.73SS**PPolyproline II helixtrans-56.6154-172.100000111.9K295 A299K295-G297 PolarHBondContact O-N 3.01Å; K295-G297 VanDerWaalsContact O-N 3.14Å; G297-A299 VanDerWaalsContact C-N 3.27Å; G297-A299 PolarHBondContact O-N 3.1Å
298Q45.7Very low51Low198 Ų198146 Ų14693%0.92572%0.717SS**  trans-63.587.6176.6-79.3-170-24.200111Q300Q298-Q300 PolarHBondContact O-N 3.33Å
299A45.1Very low52.4Low90 Ų90145 Ų14574%0.74471%0.707SS**  trans-59.9102.9161.300000107.2G297 R301G297-A299 VanDerWaalsContact C-N 3.27Å; G297-A299 PolarHBondContact O-N 3.1Å; A299-R301 PolarHBondContact O-N 2.85Å
300Q53.2Low53.5Low172 Ų172137.7 Ų137.780%0.80469%0.69SS**  trans-6394-173.2-170.8179.914.500109.5Q298 M302Q298-Q300 PolarHBondContact O-N 3.33Å; Q300-M302 PolarHBondContact O-N 2.99Å
301R50.4Low54.4Low217 Ų217137.3 Ų137.382%0.81969%0.685SS**  trans-65.691.7-167-167.5-178.3-169.4-139.46.6110.5A299 T303A299-R301 PolarHBondContact O-N 2.85Å; R301-T303 PolarHBondContact O-N 3.29Å; R301-T303 VanDerWaalsContact O-N 3.1Å
302M60.6Low55.1Low90 Ų90133.7 Ų133.744%0.44367%0.672SS.*  trans-37.7114.8-177.3-76.4-74.4-89.100111.5Q300 Q306 R307Q300-M302 PolarHBondContact O-N 2.99Å; M302-Q306 HydrophobicContact CE-CB 3.9Å; M302-Q306 HydrophobicContact CE-CG 4.04Å; M302-Q306 HydrophobicContact SD-CB 4.08Å; M302-Q306 HydrophobicContact SD-CG 4.07Å; M302-Q306 PolarHBondContact SD-NE2 3.09Å; M302-R307 HydrophobicContact CB-CG 4.26Å; M302-R307 PolarHBondContact O-NE 2.94Å
303T73.7Confident55.6Low77 Ų77133.5 Ų133.547%0.47267%0.665SS.*  trans-61.4156.8-170.862.20000111.2R301 L305 Q306 R307R301-T303 PolarHBondContact O-N 3.29Å; R301-T303 VanDerWaalsContact O-N 3.1Å; T303-L305 PolarHBondContact O-N 3.43Å; T303-Q306 WeakPolarHBondContact O-CB 3.48Å; T303-Q306 PolarHBondContact O-N 3.36Å; T303-Q306 PolarHBondContact OG1-N 3.41Å; T303-Q306 PolarHBondContact OG1-OE1 3.02Å; T303-R307 PolarHBondContact O-N 2.89Å
304R65.8Low56.1Low210 Ų210129.2 Ų129.279%0.79265%0.653SS**Hα-helixtrans-53.5-31.2179-166.8-179.7-176.3-1574.2112.5R308R304-R308 PolarHBondContact O-N 2.85Å
305L63.2Low56.6Low114 Ų114123.4 Ų123.460%0.59764%0.635SS**Hα-helixtrans-73.4-42.9174.7-175.561.3000112.8T303 R308 K309T303-L305 PolarHBondContact O-N 3.43Å; L305-R308 PolarHBondContact O-N 3.06Å; L305-K309 PolarHBondContact O-N 2.81Å
306Q72.1Confident56.9Low82 Ų82119.2 Ų119.238%0.38363%0.625SS.*Hα-helixtrans-61-45175-104.6164.1-37.300112M302 T303 R308 K309 S310M302-Q306 HydrophobicContact CE-CB 3.9Å; M302-Q306 HydrophobicContact CE-CG 4.04Å; M302-Q306 HydrophobicContact SD-CB 4.08Å; M302-Q306 HydrophobicContact SD-CG 4.07Å; M302-Q306 PolarHBondContact SD-NE2 3.09Å; T303-Q306 WeakPolarHBondContact O-CB 3.48Å; T303-Q306 PolarHBondContact O-N 3.36Å; T303-Q306 PolarHBondContact OG1-N 3.41Å; T303-Q306 PolarHBondContact OG1-OE1 3.02Å; Q306-R308 VanDerWaalsContact C-N 3.35Å; Q306-R308 PolarHBondContact O-N 2.96Å; Q306-K309 PolarHBondContact O-N 2.97Å; Q306-K309 VanDerWaalsContact O-N 3.16Å; Q306-S310 PolarHBondContact O-N 3.17Å; Q306-S310 PolarHBondContact O-OG 2.84Å
307R72.4Confident57Low131 Ų131119.6 Ų119.649%0.49462%0.616SS.*Hα-helixtrans-61.4-41.2176.3-60.8-174.3-166.4-150.4-1.4112.2M302 T303 K309 S310 M311M302-R307 HydrophobicContact CB-CG 4.26Å; M302-R307 PolarHBondContact O-NE 2.94Å; T303-R307 PolarHBondContact O-N 2.89Å; R307-K309 VanDerWaalsContact C-N 3.34Å; R307-K309 PolarHBondContact O-N 3.35Å; R307-S310 PolarHBondContact O-N 3.36Å; R307-S310 PolarHBondContact O-OG 2.94Å; R307-S310 VanDerWaalsContact O-OG 3.08Å; R307-M311 WeakPolarHBondContact O-CG 3.43Å; R307-M311 PolarHBondContact O-N 3.06Å; R307-M311 VanDerWaalsContact O-N 3.09Å
308R68.5Low57.2Low179 Ų179120.6 Ų120.668%0.67561%0.612SS**Hα-helixtrans-61.4-40.5173.5-88.3-175159-168.4-7.1112.2R304 L305 Q306 S312R304-R308 PolarHBondContact O-N 2.85Å; L305-R308 PolarHBondContact O-N 3.06Å; Q306-R308 VanDerWaalsContact C-N 3.35Å; Q306-R308 PolarHBondContact O-N 2.96Å; R308-S312 WeakPolarHBondContact O-CB 3.13Å; R308-S312 PolarHBondContact O-N 2.76Å
309K65.6Low57.4Low138 Ų138117.3 Ų117.360%0.661%0.605SS**Hα-helixtrans-67.5-41.9177.8-74.5-173.4175.1-172.10113L305 Q306 R307 S312 L313L305-K309 PolarHBondContact O-N 2.81Å; Q306-K309 PolarHBondContact O-N 2.97Å; Q306-K309 VanDerWaalsContact O-N 3.16Å; R307-K309 VanDerWaalsContact C-N 3.34Å; R307-K309 PolarHBondContact O-N 3.35Å; K309-S312 PolarHBondContact O-N 3.33Å; K309-L313 PolarHBondContact O-N 2.99Å
310S64.6Low57.5Low65 Ų65123.8 Ų123.846%0.45561%0.61SS.*Hα-helixtrans-67.1-43.1177.557.60000112.5Q306 R307 S312 L313 A314Q306-S310 PolarHBondContact O-N 3.17Å; Q306-S310 PolarHBondContact O-OG 2.84Å; R307-S310 PolarHBondContact O-N 3.36Å; R307-S310 PolarHBondContact O-OG 2.94Å; R307-S310 VanDerWaalsContact O-OG 3.08Å; S310-S312 VanDerWaalsContact C-N 3.31Å; S310-S312 PolarHBondContact O-N 3.12Å; S310-L313 PolarHBondContact O-N 2.95Å; S310-A314 PolarHBondContact O-N 3Å
311M56.9Low56.9Low139 Ų139120.1 Ų120.169%0.68560%0.604SS**Hα-helixtrans-59.1-40.7173.3-71173.967.600112.4R307 L313 A314 A315R307-M311 WeakPolarHBondContact O-CG 3.43Å; R307-M311 PolarHBondContact O-N 3.06Å; R307-M311 VanDerWaalsContact O-N 3.09Å; M311-L313 VanDerWaalsContact C-N 3.28Å; M311-L313 PolarHBondContact O-N 3.33Å; M311-A314 PolarHBondContact O-N 3.36Å; M311-A315 PolarHBondContact O-N 3.05Å; M311-A315 VanDerWaalsContact O-N 3.14Å
312S57.4Low56.3Low75 Ų75115.2 Ų115.252%0.52460%0.603SS.*Hα-helixtrans-66.6-27.3-179.6-167.60000113.5R308 K309 S310 V316R308-S312 WeakPolarHBondContact O-CB 3.13Å; R308-S312 PolarHBondContact O-N 2.76Å; K309-S312 PolarHBondContact O-N 3.33Å; S310-S312 VanDerWaalsContact C-N 3.31Å; S310-S312 PolarHBondContact O-N 3.12Å; S312-V316 WeakPolarHBondContact O-CG2 3.38Å
313L50.1Low55.7Low112 Ų112117.2 Ų117.259%0.58662%0.62SS**Hα-helixtrans-75.8-44.6173.8-75.6166.9000111.4K309 S310 M311 A315 V316 H317K309-L313 PolarHBondContact O-N 2.99Å; S310-L313 PolarHBondContact O-N 2.95Å; M311-L313 VanDerWaalsContact C-N 3.28Å; M311-L313 PolarHBondContact O-N 3.33Å; L313-A315 VanDerWaalsContact C-N 3.27Å; L313-A315 PolarHBondContact O-N 3.24Å; L313-V316 PolarHBondContact O-N 3.42Å; L313-V316 VanDerWaalsContact O-N 3.1Å; L313-H317 PolarHBondContact O-CD2 3.19Å; L313-H317 VanDerWaalsContact O-CD2 3.3Å; L313-H317 PolarHBondContact O-N 3.09Å; L313-H317 VanDerWaalsContact O-N 3.16Å
314A48.4Very low53.7Low67 Ų67118.2 Ų118.255%0.55463%0.63SS**Hα-helixtrans-57-41177.300000112.3S310 M311 V316 H317 S318S310-A314 PolarHBondContact O-N 3Å; M311-A314 PolarHBondContact O-N 3.36Å; A314-V316 PolarHBondContact O-N 3.16Å; A314-H317 PolarHBondContact O-N 3.28Å; A314-S318 PolarHBondContact O-N 2.99Å; A314-S318 VanDerWaalsContact O-N 3.12Å
315A49.7Very low52.7Low57 Ų57114.3 Ų114.347%0.47163%0.632SS.*Hα-helixtrans-60.6-42.3175.500000113.1M311 L313 H317 S318 V319M311-A315 PolarHBondContact O-N 3.05Å; M311-A315 VanDerWaalsContact O-N 3.14Å; L313-A315 VanDerWaalsContact C-N 3.27Å; L313-A315 PolarHBondContact O-N 3.24Å; A315-H317 PolarHBondContact O-N 3.38Å; A315-S318 PolarHBondContact O-N 2.86Å; A315-V319 PolarHBondContact O-N 3.38Å
316V50.9Low51.3Low99 Ų99114.3 Ų114.360%0.664%0.637SS**Hα-helixtrans-69.4-32.1-179.2171.70000112.2S312 L313 A314S312-V316 WeakPolarHBondContact O-CG2 3.38Å; L313-V316 PolarHBondContact O-N 3.42Å; L313-V316 VanDerWaalsContact O-N 3.1Å; A314-V316 PolarHBondContact O-N 3.16Å
317H44.9Very low50Low132 Ų132120.4 Ų120.461%0.61166%0.662SS**Hα-helixtrans-73.9-36.3174.5-76.4-76.6000112.9L313 A314 A315 V319 R320L313-H317 PolarHBondContact O-CD2 3.19Å; L313-H317 VanDerWaalsContact O-CD2 3.3Å; L313-H317 PolarHBondContact O-N 3.09Å; L313-H317 VanDerWaalsContact O-N 3.16Å; A314-H317 PolarHBondContact O-N 3.28Å; A315-H317 PolarHBondContact O-N 3.38Å; H317-V319 PolarHBondContact O-N 3.38Å; H317-R320 PolarHBondContact O-N 2.87Å
318S42.7Very low48.7Very low88 Ų88121.9 Ų121.962%0.61568%0.676SS**Hα-helixtrans-60-41.4179.5-173.50000113.1A314 A315 R320 S321A314-S318 PolarHBondContact O-N 2.99Å; A314-S318 VanDerWaalsContact O-N 3.12Å; A315-S318 PolarHBondContact O-N 2.86Å; S318-R320 PolarHBondContact O-N 3.09Å; S318-S321 PolarHBondContact O-N 3.21Å
319V49.8Very low47.2Very low129 Ų129119.1 Ų119.178%0.78268%0.68SS**THydrogen-bonded Turntrans-64-13.9-179.6179.40000113.2A315 H317A315-V319 PolarHBondContact O-N 3.38Å; H317-V319 PolarHBondContact O-N 3.38Å
320R46.5Very low46.2Very low226 Ų226118.5 Ų118.585%0.85369%0.69SS**THydrogen-bonded Turntrans-100.6-0.2-175.9-133.7174.4-169.81683.3115.3H317 S318H317-R320 PolarHBondContact O-N 2.87Å; S318-R320 PolarHBondContact O-N 3.09Å
321S40.6Very low45Very low95 Ų95121.7 Ų121.766%0.66471%0.706SS**  trans-114.713.2-173.2-58.30000114.8S318 T323S318-S321 PolarHBondContact O-N 3.21Å; S321-T323 PolarHBondContact O-N 3.18Å
322S36.8Very low44.2Very low114 Ų114120.8 Ų120.880%0.79771%0.711SS**  trans-88.193.9173.2-170.30000110.8
323T48.7Very low43.2Very low132 Ų132128.3 Ų128.381%0.8173%0.728SS**  trans-116.7102.7176.653.60000111.2S321S321-T323 PolarHBondContact O-N 3.18Å
324S31.9Very low42.5Very low98 Ų98128.4 Ų128.469%0.68574%0.737SS**  trans-134.6127.2165-176.20000109.6V326S324-V326 PolarHBondContact O-N 3.36Å
325P44.4Very low42.1Very low129 Ų129132.5 Ų132.584%0.83875%0.745SS**  trans-91.277.8-164.135.8-36.7000113.6
326V35.1Very low41.4Very low113 Ų113135.4 Ų135.469%0.68576%0.759SS**  trans-93113.4167.9-177.10000110.1S324 M328S324-V326 PolarHBondContact O-N 3.36Å; V326-M328 HydrophobicContact CG1-CG 4.36Å; V326-M328 HydrophobicContact CG1-SD 4.33Å; V326-M328 PolarHBondContact O-N 3.5Å; V326-M328 VanDerWaalsContact O-N 3.11Å
327K43.8Very low40.6Very low211 Ų211138.4 Ų138.492%0.91777%0.77SS**  trans-71.399.4173.2-76.6-177.6177.4176.40110.5
328M44.8Very low40Very low161 Ų161139.3 Ų139.379%0.79378%0.779SS**PPolyproline II helixtrans-96.5121.8162-65.8-56-65.200110V326V326-M328 HydrophobicContact CG1-CG 4.36Å; V326-M328 HydrophobicContact CG1-SD 4.33Å; V326-M328 PolarHBondContact O-N 3.5Å; V326-M328 VanDerWaalsContact O-N 3.11Å
329T38.1Very low39.8Very low122 Ų122144.9 Ų144.975%0.74879%0.792SS**PPolyproline II helixtrans-69.9137.1171.932.10000110.5V331T329-V331 PolarHBondContact O-N 3.42Å
330P43.6Very low39.3Very low125 Ų125144.2 Ų144.281%0.81279%0.791SS**PPolyproline II helixtrans-72.9117.8179.628.5-33.3000110.9
331V40.5Very low39.3Very low132 Ų132139.6 Ų139.680%0.879%0.79SS**PPolyproline II helixtrans-68133.1171.7178.40000109.3T329T329-V331 PolarHBondContact O-N 3.42Å
332P39.3Very low39.2Very low120 Ų120141 Ų14178%0.77980%0.8SS**PPolyproline II helixtrans-67.8134.5-174.925.9-34.5000112.8S334P332-S334 PolarHBondContact O-N 3.08Å
333R36Very low39.2Very low233 Ų233139 Ų13988%0.87980%0.797SS**  trans-80.1111178.3179.5-179.8-177166.60.7110.4
334S35.2Very low38.8Very low113 Ų113138.8 Ų138.879%0.7980%0.798SS**PPolyproline II helixtrans-68133.5174.743.30000111.9P332P332-S334 PolarHBondContact O-N 3.08Å
335Q39.9Very low38.9Very low154 Ų154141 Ų14172%0.7281%0.807SS**PPolyproline II helixtrans-86153.3168.8-70.2-78.19.700109.8I337Q335-I337 PolarHBondContact O-N 3.38Å
336P36.4Very low38.5Very low117 Ų117143.8 Ų143.876%0.7681%0.809SS**PPolyproline II helixtrans-71.7124.8173.929.8-32.9000110.7
337I34.3Very low38.7Very low163 Ų163145.4 Ų145.484%0.83681%0.812SS**PPolyproline II helixtrans-99.4139.5176.3-66.4178.3000109.9Q335Q335-I337 PolarHBondContact O-N 3.38Å
338N31.3Very low38.1Very low150 Ų150142.2 Ų142.280%0.80281%0.811SS**PPolyproline II helixtrans-68.6152.5-178.6-70.8-57.7000112.9
339K39.1Very low37.7Very low205 Ų205143.1 Ų143.189%0.89181%0.81SS**PPolyproline II helixtrans-79.9131.7172.4-62.9-178.7179.2-177.30111.7
340P39.4Very low37.3Very low115 Ų115145.1 Ų145.175%0.74782%0.815SS**PPolyproline II helixtrans-82.3167.8152.9-9.228.4000111.5
341P45.2Very low36.6Very low129 Ų129144 Ų14484%0.83881%0.81SS**PPolyproline II helixtrans-85.3170.7-174.634.9-36.3000114.5
342S38.9Very low36.3Very low125 Ų125147 Ų14787%0.87482%0.815SS**PPolyproline II helixtrans-81.9141.5-178.1530000114.7
343G36.3Very low36Very low71 Ų71150.4 Ų150.473%0.73281%0.812SS**  trans-138.8152.8162.900000110.8
344P40.4Very low36Very low128 Ų128146.8 Ų146.883%0.83181%0.81SS**  trans-97.7148.6-164.836.6-34.9000114.9
345V35.2Very low36Very low146 Ų146147.4 Ų147.489%0.88580%0.804SS**  trans-134.7149.3160.3-178.50000108.2
346Q34.7Very low36.3Very low187 Ų187147.2 Ų147.287%0.87481%0.807SS**  trans-92.8171.1-161.5-60.4179.26.800114.5
347I39.4Very low36.6Very low147 Ų147150.9 Ų150.975%0.75481%0.811SS**  trans-105.9134.5-176.7-59.3165.2000110.2K349I347-K349 HydrophobicContact CG2-CG 4.37Å
348T31.8Very low37Very low144 Ų144149.1 Ų149.188%0.88381%0.811SS**  trans-130.8146.1157-39.40000109.4
349K36.5Very low37.3Very low180 Ų180153.4 Ų153.478%0.78382%0.815SS**  trans-113161-173.7-58.2175.4-178.21750111.5I347I347-K349 HydrophobicContact CG2-CG 4.37Å
350I29.8Very low37Very low164 Ų164150 Ų15084%0.84181%0.814SS**  trans156.4100.6147.3-84.4154.2000105
351S28Very low36.8Very low102 Ų102149 Ų14971%0.71382%0.816SS**  82.999.469.7178.80000113.6
352H34.9Very low36.3Very low193 Ų193149.8 Ų149.889%0.89482%0.818SS**  trans-136.4142.5143.3-96.9-80.3000108.9
353R33Very low36.2Very low193 Ų193149.4 Ų149.473%0.72881%0.812SS**  trans-85.8155.6159-75.7-179168.6-116.85.9108.2D355R353-D355 IonicContact NH1-OD2 3.56Å; R353-D355 PolarHBondContact NH1-OD2 3.14Å
354D36.3Very low36Very low156 Ų156152 Ų15283%0.83482%0.82SS**  trans-152131.6130.3-93.3-41000109.7
355D35.6Very low35.5Very low126 Ų126149.7 Ų149.767%0.67482%0.819SS**  trans-93.6106.6178.9-83.4-72000109.1R353 F357R353-D355 IonicContact NH1-OD2 3.56Å; R353-D355 PolarHBondContact NH1-OD2 3.14Å; D355-F357 PolarHBondContact O-N 3.42Å
356I46.3Very low35.3Very low150 Ų150149.5 Ų149.577%0.76982%0.818SS**  trans-9971.7178.8-50.6179.4000110.3
357F41.8Very low35.1Very low195 Ų195146.9 Ų146.986%0.85581%0.814SS**SBendtrans-174.5119.2144.8-88-55.3000109.6D355D355-F357 PolarHBondContact O-N 3.42Å
358P43.1Very low34.7Very low126 Ų126146 Ų14682%0.81881%0.811SS**PPolyproline II helixtrans-78138.4-179.631.1-34000112.1
359R37.5Very low34.7Very low239 Ų239146.1 Ų146.190%0.90280%0.804SS**PPolyproline II helixtrans-80.5141.3164.8-78.4-174170.3-146.9-2.6110.4
360P32.7Very low34.4Very low134 Ų134142.6 Ų142.687%0.8779%0.794SS**PPolyproline II helixtrans-72.1137.5168.230.7-33.5000110.8
361A34.6Very low34.6Very low94 Ų94141.7 Ų141.778%0.77779%0.787SS**  trans-138.5138.8166.700000108.6
362V36.3Very low34.8Very low145 Ų145142 Ų14288%0.87978%0.78SS**  trans-88.8137.1-175.6-169.90000110.3
363P36Very low34.8Very low118 Ų118140.1 Ų140.177%0.76677%0.772SS**  trans-123.1126.4155.934.3-21.7000112.3
364S32Very low34.7Very low126 Ų126137 Ų13788%0.88177%0.769SS**  trans-72.7148.8153.6-54.90000109
365G30.3Very low34.5Very low79 Ų79137.9 Ų137.981%0.81477%0.765SS**  trans133.499.4165.700000115.3
366V30.7Very low34.2Very low142 Ų142137.2 Ų137.286%0.86177%0.766SS**  trans-57.6165.8175.1-166.40000113.5
367V31Very low33.6Very low131 Ų131137.5 Ų137.579%0.79476%0.764SS**  trans10990.2158.3-169.50000116.9
368N29.7Very low33.2Very low128 Ų128134.2 Ų134.268%0.68475%0.751SS**  trans-51.7150.9155173.322.2000113.9
369I33Very low32.8Very low147 Ų147135.1 Ų135.175%0.75474%0.744SS**  trans-178.9111.7130.5-93.5157.6000114.4
370N29.5Very low32.6Very low106 Ų106132 Ų13257%0.56774%0.74SS**  trans51.2119.9136.8-66.2-55.7000125.8
371Q33.8Very low32.6Very low146 Ų146133.5 Ų133.568%0.68273%0.733SS**  92.7131.1112.4-76.9-178.452.200125.4
372N32.4Very low32.4Very low108 Ų108135.5 Ų135.558%0.57874%0.736SS**  96.6102.4127.5-74.2-4.8000124.8
373Q34.5Very low32.4Very low154 Ų154134.9 Ų134.972%0.7273%0.727SS**  94149.4109.8-79.9-163.284.200124
374L32.3Very low32.1Very low126 Ų126136.9 Ų136.966%0.6673%0.729SS**  trans70.5128.7165.3-90.271.7000117.4
375K31.8Very low32.1Very low176 Ų176140 Ų14077%0.76573%0.727SS**  65.5140.676-67.8-168.4-168.8172.70112.3
376T29.2Very low33.4Very low111 Ų111141.5 Ų141.568%0.68172%0.723SS**  cis-165.7166.59.61.20000110.7
377Q33.8Very low33.4Very low156 Ų156140.8 Ų140.873%0.72972%0.719SS**  trans65.5171.2150.3-79.7-159.295.900117.8
378Q33.3Very low33.6Very low127 Ų127140 Ų14059%0.59371%0.714SS**  cis-166.5146.8-46.8-117.8-172.541.400107.8
379Q34.6Very low33.6Very low145 Ų145140.9 Ų140.968%0.67872%0.719SS**  trans63.8169.8157-61.3-170.646.700115.6
380Q32.3Very low33.6Very low172 Ų172141.7 Ų141.780%0.80472%0.72SS**  cis-146.1-175.6-13.6-130.7-173.751.300111.8
381K34Very low33.7Very low167 Ų167140.3 Ų140.373%0.72672%0.723SS**  trans-95.7134.6-159.1155.3-161.2174.9-171.90115.8L383K381-L383 HydrophobicContact CD-CD1 4.45Å; K381-L383 HydrophobicContact CG-CD1 4.16Å
382T30.3Very low33.7Very low136 Ų136141 Ų14183%0.83473%0.73SS**  trans-156.7152.4151260000109.2
383L35.8Very low33.6Very low131 Ų131140.7 Ų140.769%0.68674%0.742SS**  cis105.6128.6-3.5-74.4167.3000121.1K381K381-L383 HydrophobicContact CD-CD1 4.45Å; K381-L383 HydrophobicContact CG-CD1 4.16Å
384I29.8Very low33.4Very low160 Ų160140.9 Ų140.982%0.82175%0.748SS**  trans91.2142.3159.7-62.2168.7000119.2
385F31.7Very low34.3Very low191 Ų191139.2 Ų139.284%0.83875%0.745SS**  trans-101.8-160.1-167.4-79.7-85.2000112.2
386P58.3Low34.3Very low112 Ų112140.3 Ų140.373%0.72775%0.753SS**  cis-132.5-174.7-4531.6-12.7000113.5
387T30.4Very low34.3Very low127 Ų127138.6 Ų138.678%0.77976%0.757SS**  trans-156.8121.5146.420.10000109.3
388T35.8Very low34.2Very low113 Ų113137.3 Ų137.369%0.69377%0.765SS**  51.6132.696.167.20000116.2
389D30.1Very low34Very low147 Ų147134.7 Ų134.779%0.78677%0.773SS**  cis-162.6-149.8-17.2-119.9-63.7000107.3
390E31.9Very low34.8Very low165 Ų165133.8 Ų133.877%0.77178%0.78SS**  cis-159.1-170.16.3-138.8-90.479.800108.3
391A32.6Very low35.7Very low77 Ų77130.7 Ų130.764%0.63677%0.774SS**  trans-128.4-148.4176.900000111.2
392I33.3Very low35.8Very low160 Ų160131.1 Ų131.182%0.82178%0.779SS**  cis-152.5140.5-7.7-176.7167.6000110.1
393A30Very low35.9Very low102 Ų102136.2 Ų136.284%0.84378%0.783SS**  trans-160.8156.6165.200000113.8
394N29.4Very low36.1Very low157 Ų157141.6 Ų141.684%0.8479%0.794SS**  trans-155.9-175.2-172.5-134-18000107.5
395P52.4Low36.2Very low92 Ų92139.9 Ų139.960%0.59780%0.796SS**  cis-136.7-159.3-22.741.6-22.3000113.6
396Q30.4Very low36.7Very low198 Ų198138.2 Ų138.293%0.92580%0.802SS**  trans75.4160.7153.4-82.1178.9-20.500121.7
397G30Very low35.4Very low75 Ų75136.3 Ų136.377%0.77380%0.802SS**  trans-177.9175.2-179.100000113.4
398S31.1Very low35.7Very low129 Ų129142.4 Ų142.490%0.90281%0.811SS**  trans-169.5160.4178.660.30000115.5
399G30.6Very low37.2Very low73 Ų73141.6 Ų141.675%0.75381%0.807SS**  trans93.5133.4142.800000122.6
400P50.3Low38.3Very low126 Ų126140.1 Ų140.182%0.81881%0.806SS**  trans-118.7-155.2165.244.8-33.1000111.2
401P50.6Low38.9Very low107 Ų107141.8 Ų141.870%0.69581%0.811SS**  cis-141.8-171.6-7.444.8-25.8000117.6
402Q37.8Very low39Very low175 Ų175148.2 Ų148.282%0.81882%0.824SS**  trans73.2135.4152.4-72.6-160.125.900124.4
403R31.9Very low39.2Very low243 Ų243148.4 Ų148.492%0.91783%0.826SS**  -174.7177.8108.9-99.4179.3-179.2-143.6-1113.9
404R39.3Very low40.1Very low245 Ų245148.5 Ų148.593%0.92582%0.818SS**  trans-137.4158.9-175.7-46.1176-172.5169.81112.8
405S32.1Very low40.3Very low124 Ų124148.8 Ų148.887%0.86782%0.816SS**  trans-170.7172.5147.354.90000113.6
406V43.1Very low39.3Very low156 Ų156149.7 Ų149.795%0.94582%0.82SS**  trans-147.4156.2-173.6-1520000111.5
407G30.1Very low39.3Very low72 Ų72146.6 Ų146.674%0.74281%0.805SS**  trans-161.4167.9178.600000115.9
408R38Very low39.2Very low254 Ų254152.2 Ų152.296%0.95880%0.803SS**  trans-149.8-176.3-170.8-112.5-148.3164.1-169.9-1.5114
409P65.9Low39.2Very low96 Ų96152.4 Ų152.462%0.62379%0.793SS**  trans-126.6-173.4-147.447.6-36.8000117.2
410P53Low39.1Very low116 Ų116155.4 Ų155.475%0.75380%0.796SS**  trans-127.7143.614235-21.8000112.7
411K44.5Very low38Very low201 Ų201153.5 Ų153.587%0.87479%0.791SS**  cis81.5119.448.7-87.4-169.8174.1-178.90116
412K35Very low37.6Very low211 Ų211153.2 Ų153.292%0.91779%0.79SS**  -166169.4118.5-81.3-138.5-178.1174.30112.1
413L37.3Very low37.1Very low165 Ų165152.8 Ų152.886%0.86479%0.787SS**  trans-140.5-174.2-177.5-81.9174.4000106.8
414P48.6Very low37Very low103 Ų103146.4 Ų146.467%0.66978%0.775SS**  cis-153.7-177.820.745.3-23.7000120.4
415M34.9Very low36.6Very low163 Ų163142.8 Ų142.880%0.80377%0.769SS**  trans64.8160.9146.5-90.116458.100119.2
416V31Very low36.5Very low111 Ų111143.4 Ų143.467%0.67377%0.768SS**  cis-141.3142.921.3173.80000112.4
417Q29.6Very low35.7Very low133 Ų133145 Ų14562%0.62176%0.762SS**  trans9.5163.2145.7-68.2175.928.600122.9
418R28.1Very low36.4Very low193 Ų193146.1 Ų146.173%0.72876%0.756SS**  cis178.8178.1-8.2176.1-151.8-76.9158.6-10.6107.6
419I30.7Very low35.9Very low133 Ų133141.5 Ų141.568%0.68275%0.745SS**  trans104.3107.3151.1-59.6-171.5000119.5
420V28.9Very low34.1Very low136 Ų136141.7 Ų141.782%0.82475%0.749SS**  trans69.4149.4138.81740000122.2
421A28.3Very low33.7Very low87 Ų87141.2 Ų141.272%0.71975%0.746SS**  trans-130.8150.6159.800000107.1
422P42Very low33.1Very low101 Ų101138.5 Ų138.566%0.65674%0.739SS**  -154.4-176.484.640.8-20.5000116.6
423E26.5Very low33Very low165 Ų165134.7 Ų134.777%0.77173%0.729SS**  trans70.3150.3139.5-87.8176.6131.100126.1
424T29.4Very low32.7Very low109 Ų109132.6 Ų132.667%0.66972%0.723SS**  trans55.6116.1149.952.10000123.5
425Q30.9Very low31.9Very low170 Ų170136.3 Ų136.379%0.79473%0.729SS**  57.2157.5124.8-62.6-165.78.100123.5
426T30.6Very low31.7Very low136 Ų136134.7 Ų134.783%0.83473%0.728SS**  trans78.8138.5154.7350000122.4
427K26.6Very low31.8Very low191 Ų191136.9 Ų136.983%0.8374%0.735SS**  trans-72.8178.3163.2-125.6-176.5174.8-173.80109.5
428P44.1Very low31.9Very low94 Ų94135.7 Ų135.761%0.6174%0.737SS**  cis-139.9-177-2.141.4-21.9000116.5
429Q28.1Very low31.8Very low158 Ų158134.2 Ų134.274%0.73874%0.742SS**  trans44.3109.4140.7-78162.5-94.500122.4
430S28.4Very low31.6Very low99 Ų99130.9 Ų130.969%0.69274%0.74SS**  47.4159.7108.573.70000122.2
431P45.3Very low31.6Very low106 Ų106134.2 Ų134.269%0.68874%0.744SS**  cis-144.9174.5-10.434-10.7000118.6
432I31.5Very low32.2Very low144 Ų144135 Ų13574%0.73874%0.741SS**  trans74.5124.2135.5-79.5166.2000124.4
433N31.5Very low31.4Very low132 Ų132136 Ų13671%0.70675%0.746SS**  trans64.6152.8149.1-84-36.3000121
434T31.6Very low31.4Very low120 Ų120133.8 Ų133.874%0.73675%0.748SS**  cis-145.6139.539.341.50000119.1
435K32.4Very low31.3Very low181 Ų181133 Ų13379%0.78775%0.747SS**  44127.9127.6-55.9177.6177.1177.90123.1
436V30.1Very low31Very low130 Ų130131.3 Ų131.379%0.78875%0.748SS**  trans-148.1127.9141.1178.80000109.7
437L32.8Very low30.8Very low157 Ų157129.2 Ų129.282%0.82275%0.745SS**  trans56.7145.2162.1-69.2170.9000119.3
438T31.2Very low30.6Very low107 Ų107126.1 Ų126.166%0.65675%0.747SS**  cis-142.1142-1.9-71.60000111.4
439I26.8Very low29.7Very low162 Ų162125.6 Ų125.683%0.83176%0.759SS**  trans-7.9137.6152.7-45.5166.6000116.8
440G27Very low29.7Very low63 Ų63125.1 Ų125.165%0.64976%0.761SS**  cis147.9157.1-4.700000114.2
441K29.3Very low29.8Very low207 Ų207127.3 Ų127.390%0.976%0.764SS**  trans79.1152.6179.5-62.2-177.3176.6179.30117.2
442P40.2Very low29.2Very low102 Ų102128.8 Ų128.866%0.66277%0.766SS**  cis-141.7152.7-39.239.6-23.8000116.1
443T25.1Very low29Very low124 Ų124129.1 Ų129.176%0.76177%0.769SS**  trans52.3140.2142.156.90000123
444S26.9Very low29.1Very low117 Ų117129.9 Ų129.982%0.81877%0.772SS**  trans66.3167.5163.71030000114
445S26.1Very low28.9Very low93 Ų93127.9 Ų127.965%0.6577%0.767SS**  cis-174.8161.1-30.147.50000107.9
446V25.3Very low28.9Very low135 Ų135124.3 Ų124.382%0.81876%0.756SS**  trans40.5129136.6175.30000120.5
447A25.9Very low29Very low92 Ų92126.6 Ų126.676%0.7676%0.755SS**  trans8216414900000122.1
448S23.4Very low28.9Very low126 Ų126122.7 Ų122.788%0.88174%0.741SS**  trans-36147.6169-43.70000117.2
449G25.8Very low29.1Very low83 Ų83123.1 Ų123.186%0.85674%0.739SS**  trans-164.390.1167.800000112.5
450N27.7Very low29.4Very low147 Ų147120.4 Ų120.479%0.78673%0.73SS**  trans-96166.5170.7-176.824.6000110
451I30.4Very low29.5Very low146 Ų146122.1 Ų122.175%0.74973%0.728SS**  trans120.2139.9154.9-61.8163.1000116
452N32.2Very low29.7Very low137 Ų137116.1 Ų116.173%0.73371%0.708SS**  trans-92179.1-170.8-36-82.9000113.7
453N28.1Very low29Very low150 Ų150114.9 Ų114.980%0.80270%0.702SS**  trans-165156.6156.5-93.3-25000109.3
454I32.9Very low29.7Very low148 Ų148116.3 Ų116.376%0.75970%0.704SS**  cis-166.4168.7-28.5-125179.2000108.6
455A27.8Very low30.5Very low78 Ų78116.3 Ų116.365%0.64570%0.703SS**  trans71.1134.9172.400000118
456I32.3Very low31.2Very low106 Ų106114.8 Ų114.854%0.54469%0.693SS.*  cis101.4106.111.8-54.6161000115.8
457K30.8Very low31.3Very low179 Ų179111.7 Ų111.778%0.77868%0.677SS**  167.7114129.7-93.3-176.6-175.1179.60117.4
458S32.7Very low31.2Very low75 Ų75111 Ų11152%0.52466%0.664SS.*  trans36.2124.1134.561.60000126
459N33.5Very low31.3Very low115 Ų115108.2 Ų108.262%0.61565%0.648SS**  trans53.3141.4134.5-56.711.1000123.6
460V33.9Very low31.4Very low106 Ų106107.7 Ų107.764%0.64263%0.628SS**  160.4129.4125.41550000114.9
461V29.8Very low31.3Very low98 Ų98104.8 Ų104.859%0.59462%0.616SS**  trans53.5104.3148.9172.60000122.7S467V461-S467 WeakPolarHBondContact O-CB 3.28Å
462T32.3Very low31.2Very low81 Ų81102 Ų10250%0.49760%0.603SS.*  73.2131.5113.2-48.10000124.5S466 S467 T468T462-S466 CarbonylContact C-O 3.08Å; T462-S466 WeakPolarHBondContact CA-O 3.42Å; T462-S467 VanDerWaalsContact O-CB 3.26Å; T462-S467 WeakPolarHBondContact O-CB 3.46Å; T462-S467 PolarHBondContact O-OG 2.9Å; T462-T468 PolarHBondContact N-OG1 2.94Å
463S26.6Very low31Very low76 Ų7699.8 Ų99.853%0.53160%0.595SS.*  trans18.7130.6147.6-55.40000121.5S466S463-S466 VanDerWaalsContact CA-CA 3.46Å; S463-S466 VanDerWaalsContact N-C 3.28Å; S463-S466 PolarHBondContact N-O 2.82Å
464I39.1Very low31Very low155 Ų15598.9 Ų98.980%0.79559%0.588SS**SBendcis-146.8129.2-9.9-48.890.2000107.3
465S44.1Very low30.6Very low116 Ų11697.1 Ų97.181%0.81159%0.585SS**SBendcis-42.6129.9-9.9-1750000111.4S467S465-S467 PolarHBondContact O-N 3.41Å
466S41.2Very low30.5Very low62 Ų62103.1 Ų103.143%0.43460%0.596SS.*  trans-83.519.5-143-53.80000117.9T462 S463T462-S466 CarbonylContact C-O 3.08Å; T462-S466 WeakPolarHBondContact CA-O 3.42Å; S463-S466 VanDerWaalsContact CA-CA 3.46Å; S463-S466 VanDerWaalsContact N-C 3.28Å; S463-S466 PolarHBondContact N-O 2.82Å
467S27.1Very low30.2Very low70 Ų70101 Ų10149%0.4960%0.601SS.*  trans52.7-172.2173.2-50.90000113.5V461 T462 S465V461-S467 WeakPolarHBondContact O-CB 3.28Å; T462-S467 VanDerWaalsContact O-CB 3.26Å; T462-S467 WeakPolarHBondContact O-CB 3.46Å; T462-S467 PolarHBondContact O-OG 2.9Å; S465-S467 PolarHBondContact O-N 3.41Å
468T23.7Very low29.8Very low78 Ų7899.4 Ų99.448%0.47961%0.606SS.*  trans62.5110.7-173.9-8.10000111.4T462T462-T468 PolarHBondContact N-OG1 2.94Å
469A25.1Very low29.6Very low67 Ų6799.7 Ų99.755%0.55461%0.608SS**  51.1136.66800000111.9
470T27.3Very low29.3Very low71 Ų71101 Ų10144%0.43662%0.615SS.*  cis-158.8163.728.7-19.20000112.3
471T27.4Very low29.1Very low86 Ų86102.8 Ų102.853%0.52862%0.621SS.*  trans-17.4159.2137.472.90000116.7
472N28.1Very low29.2Very low88 Ų88103.2 Ų103.247%0.47163%0.628SS.*  cis-171147.445.1-116.6-13.4000108
473T27.3Very low29.2Very low91 Ų91105.3 Ų105.356%0.55864%0.635SS**  41.3141.289.984.20000118.5
474I27.9Very low29.3Very low131 Ų131110.4 Ų110.467%0.67265%0.648SS**  trans72.8118.6146.7-73163.6000115.1
475T25.5Very low28.8Very low111 Ų111108.8 Ų108.868%0.68165%0.645SS**  cis103.5130.246.3-71.60000110.8
476K25.7Very low28.3Very low204 Ų204108.3 Ų108.389%0.88764%0.637SS**  trans64.1137.4-176.6-66.9168.7178178.80113.2
477G24.4Very low27.8Very low62 Ų62114.2 Ų114.264%0.63966%0.658SS**  cis111.4157.517.400000109.8
478T23.9Very low28.1Very low144 Ų144118.2 Ų118.288%0.88367%0.674SS**  trans71.2135.6-174.2-51.50000112.4
479S27.1Very low28.4Very low81 Ų81121.8 Ų121.857%0.56670%0.695SS**  cis-172.4164.8-18.754.90000109
480N27.6Very low28.6Very low144 Ų144125.6 Ų125.677%0.7771%0.706SS**  trans68.6129.9161.9-51.5-25.8000115.5
481N31Very low28.5Very low142 Ų142127.1 Ų127.176%0.75972%0.715SS**  cis7686.242.9-167.924.1000113.8
482S30.1Very low28.6Very low107 Ų107130.3 Ų130.375%0.74873%0.728SS**  trans-169.4103160.4-170.80000107.4
483I32.9Very low28.3Very low125 Ų125129.6 Ų129.664%0.64173%0.729SS**  94.1147.667.2-76.4164000112
484K28.2Very low28.4Very low184 Ų184135.5 Ų135.580%0.874%0.743SS**  trans78.5136.9169.4-82.2158-173.3-178.10117.8
485T30.4Very low28.6Very low121 Ų121134.4 Ų134.474%0.74275%0.747SS**  cis-153.4168.9-12.6-8.40000113.2
486T31.6Very low29.3Very low106 Ų106134.1 Ų134.165%0.6575%0.747SS**  trans-49.8156164.747.40000115.5
487E31.2Very low29.5Very low185 Ų185131.4 Ų131.486%0.86474%0.742SS**  -170.3165.4108.8-101.5162.3-132.500112.5
488N34.7Very low29.7Very low154 Ų154132.8 Ų132.882%0.82474%0.742SS**  trans-115.4139.7-168.1-48.6-60.2000112.3
489V29.3Very low29.9Very low153 Ų153131.1 Ų131.193%0.92774%0.736SS**  trans-135155.1158.5-174.70000108.8
490N28.4Very low30Very low147 Ų147131.5 Ų131.579%0.78674%0.739SS**  trans-130.7-167.1-160.1-172.511.3000110.5
491V26.7Very low30.2Very low103 Ų103131.5 Ų131.562%0.62475%0.745SS**  trans90.6107.2152.6173.10000119.5
492I28.4Very low30.1Very low154 Ų154129.4 Ų129.479%0.7974%0.741SS**  61.6141.2129.2-62.9-177.4000118.5
493S23.1Very low30Very low72 Ų72129.6 Ų129.650%0.50374%0.742SS.*  cis-157.4175.2-4420000108.5
494Y28.6Very low29.7Very low215 Ų215129.2 Ų129.284%0.84375%0.75SS**  cis-156.1148.937.3-74.4-92.2000114.6
495S31.8Very low29.6Very low108 Ų108126.5 Ų126.576%0.75576%0.755SS**  trans-111.1175.6135.8-62.50000106.6
496P40.3Very low29.7Very low105 Ų105130.4 Ų130.468%0.68276%0.761SS**  cis-147.6-167.91642.7-20.9000116.8
497N30.2Very low29.8Very low148 Ų148129.2 Ų129.279%0.79176%0.763SS**  trans65.2157.5148-88.558.8000120.8
498S29.1Very low29.8Very low90 Ų90126 Ų12663%0.62976%0.756SS**  cis-137.9159.7-6.2-68.30000108.7
499S27.9Very low29.6Very low109 Ų109125.3 Ų125.376%0.76276%0.757SS**  155.6167.788.8-91.30000110
500S29.2Very low29.5Very low89 Ų89121.4 Ų121.462%0.62275%0.748SS**  cis-176.2131.4-30.455.70000111.5
501T31.7Very low29.6Very low145 Ų145119.4 Ų119.489%0.8975%0.752SS**  trans64.2153.8162.957.30000118.7
502S28.4Very low29.8Very low98 Ų98120.8 Ų120.869%0.68577%0.766SS**  cis-146.8144.520.555.90000116
503S27.9Very low29.9Very low110 Ų110116.7 Ų116.777%0.76976%0.762SS**  trans51.5140.4149.858.30000122
504S26Very low30.3Very low117 Ų117117.9 Ų117.982%0.81878%0.776SS**  cis-167.9146.3-12.649.90000111.6
505S27.4Very low30.4Very low128 Ų128114 Ų11490%0.89577%0.774SS**  trans-148.5155.7157.162.20000108.9
506K32.5Very low30.3Very low202 Ų202115.5 Ų115.588%0.87877%0.773SS**  trans-134.4129.1-163.5-174.9-175.8178.9-174.30112
507A33.5Very low29.8Very low82 Ų82115.9 Ų115.968%0.67877%0.773SS**  trans68.4152.5159.800000117.4
508T29.9Very low29.7Very low117 Ų117116.4 Ų116.472%0.71878%0.776SS**  cis-164.9153.4-18.821.90000109.7
509T30.4Very low29.8Very low139 Ų139119.8 Ų119.885%0.85379%0.785SS**  trans56.5138.3151.352.50000120.7
510G27.9Very low30.9Very low71 Ų71119.9 Ų119.973%0.73278%0.783SS**  cis163.3-170.9-400000114.3
511A30.1Very low31.1Very low106 Ų106120.9 Ų120.988%0.87679%0.786SS**  trans71.8156.7172.300000118.9
512S31.3Very low31.2Very low132 Ų132119.8 Ų119.892%0.92378%0.779SS**  trans-146.8150.6-164-51.70000114.3
513G30.1Very low31.3Very low68 Ų68120.8 Ų120.870%0.70178%0.781SS**  trans158.4117.3166.200000110.1
514A31.9Very low31.4Very low97 Ų97121.9 Ų121.980%0.80278%0.783SS**  70.3123.454.200000112.4
515V30.4Very low31.7Very low132 Ų132121.2 Ų121.280%0.879%0.785SS**  cis-154.2-171.40.5-1030000108.1
516I30Very low31.8Very low140 Ų140118.9 Ų118.972%0.71878%0.781SS**  cis-158.9169.521.4-5.6174.7000111.9
517T29.9Very low31.8Very low113 Ų113115.9 Ų115.969%0.69378%0.78SS**  trans47.6124.815349.80000123.3
518N27.6Very low31.5Very low159 Ų159117.6 Ų117.685%0.8579%0.787SS**  -169.1145.9115.9-93.1-19.3000112.5
519I31.3Very low31.7Very low162 Ų162118.1 Ų118.183%0.83179%0.79SS**  trans-173.3168.1-178.322.9169.7000110.1
520P51.1Low32Very low110 Ų110117.1 Ų117.171%0.71479%0.786SS**  cis-109.6-131.2-18.3231.5000110.1
521T32.8Very low32Very low111 Ų111120.6 Ų120.668%0.68179%0.792SS**  cis-165.8147.21.4-9.50000105.6
522T34.7Very low31.8Very low121 Ų121118.8 Ų118.874%0.74278%0.784SS**  cis83.113618.568.60000117.6
523T30.2Very low31.7Very low119 Ų119122.1 Ų122.173%0.7378%0.782SS**  cis-168133.1-11-95.40000114.3
524T30.7Very low31.6Very low133 Ų133123.4 Ų123.482%0.81678%0.78SS**  trans67.9144.7148.2-69.30000125.8
525A32.8Very low31.8Very low103 Ų103125.9 Ų125.985%0.85178%0.779SS**  trans83149.315100000124.8
526G27.9Very low32.1Very low79 Ų79124.1 Ų124.181%0.81477%0.768SS**  trans139.278.6144.500000121.3
527T33.8Very low32.3Very low140 Ų140125.9 Ų125.986%0.85977%0.773SS**  trans-65.7143.4179.6-50.50000117.9
528S27.2Very low32.5Very low118 Ų118127.2 Ų127.283%0.82578%0.775SS**  trans-171.9170.7142.751.10000113.9
529V34.6Very low32.9Very low128 Ų128129.3 Ų129.378%0.77678%0.777SS**  trans-140.2152.9-170.6-162.80000111.1
530P35.1Very low33Very low118 Ų118128.8 Ų128.877%0.76677%0.773SS**  -153.3128124.934.5-14.8000119.5
531V28.5Very low32Very low144 Ų144128.9 Ų128.987%0.87377%0.772SS**  55.5122.9127.8-173.20000123.8
532G26.4Very low31.9Very low68 Ų68132.1 Ų132.170%0.70178%0.779SS**  trans129.1140.5139.400000116.8
533K28.1Very low32Very low201 Ų201138 Ų13887%0.87479%0.787SS**  cis-153.1140.3-4.1-81.5-175.8177.7174.80112.1
534S29.1Very low32.3Very low95 Ų95135.7 Ų135.766%0.66479%0.787SS**  trans29.6133146.763.80000120.9
535I35Very low33Very low150 Ų150136.5 Ų136.577%0.76979%0.792SS**  -155.2140.364.2-86.6174000107.8
536T37.8Very low33.2Very low94 Ų94140.2 Ų140.258%0.57779%0.792SS**  cis77.4153.537.672.70000114.5L538T536-L538 HydrophobicContact CG2-CD1 4.03Å
537Q32.9Very low33.7Very low178 Ų178142 Ų14283%0.83279%0.787SS**  cis-122.6152-1.9-62.4173103.400108.4
538L34.2Very low34.3Very low141 Ų141139.4 Ų139.474%0.73879%0.788SS**  cis84.691.829.2-57.4171.6000115.9T536T536-L538 HydrophobicContact CG2-CD1 4.03Å
539K37.3Very low35.3Very low203 Ų203139.1 Ų139.188%0.88378%0.781SS**  trans-13085.9150.5-165.9176.9-176.8179.90108.6
540M33.6Very low36.3Very low151 Ų151138.5 Ų138.574%0.74477%0.77SS**  72.6123.984-68.7-80.1-74.200111.7
541T30.1Very low37.6Very low112 Ų112137.2 Ų137.269%0.68776%0.756SS**  cis-156.3162.4-5.5-31.60000104.5
542E29.8Very low39.1Very low178 Ų178133.5 Ų133.583%0.83274%0.736SS**  cis-164.3144.237.2-178166.7-145.300109.9
543R37Very low40.6Very low245 Ų245139 Ų13993%0.92574%0.74SS**  trans-119.599.5169.4-89.9-172.6173.4176.6-2109.2
544G36.3Very low42.9Very low71 Ų71131 Ų13173%0.73271%0.71SS**  trans-64.8136.316100000109.9Q546G544-Q546 PolarHBondContact O-N 2.67Å
545T45.8Very low45Very low149 Ų149130.2 Ų130.291%0.91470%0.698SS**  trans-78.6103180480000111
546Q37.4Very low47.3Very low182 Ų182129.1 Ų129.185%0.8569%0.694SS**  trans-134.4152.2161.6-161.1164.610.600109.4G544G544-Q546 PolarHBondContact O-N 2.67Å
547T38.2Very low49.6Very low116 Ų116128.9 Ų128.971%0.71268%0.683SS**  trans-58.4137-175.839.10000111.6V549T547-V549 PolarHBondContact O-N 3.48Å
548G45.3Very low51.9Low85 Ų85125.5 Ų125.588%0.87667%0.666SS**  trans-73.449.9-177.100000114.5Q550G548-Q550 PolarHBondContact O-N 2.93Å
549V49.4Very low54.5Low112 Ų112123 Ų12368%0.67965%0.652SS**  trans-71.6109.4167.8-175.50000107.1T547 N551T547-V549 PolarHBondContact O-N 3.48Å; V549-N551 PolarHBondContact O-N 2.92Å
550Q56Low56.8Low115 Ų115118.3 Ų118.354%0.53763%0.634SS.*  trans-54131.3170-71.7-137.169.600108.8G548 P552 Y557G548-Q550 PolarHBondContact O-N 2.93Å; Q550-P552 WeakPolarHBondContact O-CD 3.21Å; Q550-Y557 HydrophobicContact CB-CD2 4.19Å
551N61.2Low59.3Low91 Ų91115.8 Ų115.849%0.48762%0.622SS.*  trans-62113.2-175.8176.25.7000109.7V549 F553 S554V549-N551 PolarHBondContact O-N 2.92Å; N551-F553 PolarHBondContact O-N 3.13Å; N551-F553 WeakPolarHBondContact OD1-CB 3.34Å; N551-F553 PolarHBondContact OD1-N 3.29Å; N551-S554 WeakPolarHBondContact O-CB 3.46Å; N551-S554 PolarHBondContact O-N 3.11Å; N551-S554 PolarHBondContact O-OG 2.99Å
552P61.3Low62Low67 Ų67111.7 Ų111.744%0.43560%0.595SS.*THydrogen-bonded Turntrans-69.4-9.6-175.629.9-35.9000112.8Q550 Y557Q550-P552 WeakPolarHBondContact O-CD 3.21Å; P552-Y557 HydrophobicContact CB-CD1 4.31Å; P552-Y557 HydrophobicContact CB-CE1 4.07Å
553F56Low64.7Low183 Ų183109.6 Ų109.680%0.80358%0.583SS**THydrogen-bonded Turntrans-100.915.6174-50.7-70.6000113.2N551N551-F553 PolarHBondContact O-N 3.13Å; N551-F553 WeakPolarHBondContact OD1-CB 3.34Å; N551-F553 PolarHBondContact OD1-N 3.29Å
554S78.3Confident67.2Low33 Ų33101.7 Ų101.723%0.23156%0.563CS.*  trans-86.7137.6172.865.60000111.5N551 N556 Y557 F558N551-S554 WeakPolarHBondContact O-CB 3.46Å; N551-S554 PolarHBondContact O-N 3.11Å; N551-S554 PolarHBondContact O-OG 2.99Å; S554-N556 PolarHBondContact O-N 3.29Å; S554-Y557 PolarHBondContact O-N 3.37Å; S554-Y557 VanDerWaalsContact O-N 3.12Å; S554-Y557 WeakPolarHBondContact OG-CB 3.33Å; S554-Y557 PolarHBondContact OG-N 2.91Å; S554-F558 PolarHBondContact O-N 2.85Å; S554-F558 VanDerWaalsContact O-N 3.1Å
555D73.1Confident69.5Low79 Ų79103.8 Ų103.842%0.42255%0.554SS.*Hα-helixtrans-59.5-33.4-179.5-58.5-54.1000111.4L559D555-L559 WeakPolarHBondContact O-CB 3.32Å; D555-L559 VanDerWaalsContact O-CG 3.32Å; D555-L559 WeakPolarHBondContact O-CG 3.35Å; D555-L559 PolarHBondContact O-N 2.77Å
556N81.7Confident71.4Confident127 Ų127100.6 Ų100.668%0.67953%0.53SS*.Hα-helixtrans-63-48.1174.3-71.5-3.1000112.4S554 F558 L559 E560S554-N556 PolarHBondContact O-N 3.29Å; N556-F558 VanDerWaalsContact C-N 3.35Å; N556-F558 PolarHBondContact O-N 2.83Å; N556-L559 PolarHBondContact O-N 2.85Å; N556-E560 VanDerWaalsContact O-CB 3.23Å; N556-E560 WeakPolarHBondContact O-CB 3.49Å; N556-E560 PolarHBondContact O-N 3.09Å
557Y85.8Confident73.8Confident88 Ų8899.5 Ų99.535%0.34553%0.525SS..Hα-helixtrans-64.7-38.2178.9-179.8-97.7000112Q550 P552 S554 E560 M561Q550-Y557 HydrophobicContact CB-CD2 4.19Å; P552-Y557 HydrophobicContact CB-CD1 4.31Å; P552-Y557 HydrophobicContact CB-CE1 4.07Å; S554-Y557 PolarHBondContact O-N 3.37Å; S554-Y557 VanDerWaalsContact O-N 3.12Å; S554-Y557 WeakPolarHBondContact OG-CB 3.33Å; S554-Y557 PolarHBondContact OG-N 2.91Å; Y557-E560 PolarHBondContact O-N 3.01Å; Y557-M561 WeakPolarHBondContact O-CB 3.47Å; Y557-M561 PolarHBondContact O-N 3.4Å
558F83.1Confident76.4Confident108 Ų108102 Ų10247%0.47453%0.528SS..Hα-helixtrans-63.3-43.6174.2176.5-101000112.2S554 N556 M561 I562S554-F558 PolarHBondContact O-N 2.85Å; S554-F558 VanDerWaalsContact O-N 3.1Å; N556-F558 VanDerWaalsContact C-N 3.35Å; N556-F558 PolarHBondContact O-N 2.83Å; F558-M561 HydrophobicContact CD2-CE 4.12Å; F558-I562 HydrophobicContact CD1-CD1 4.39Å; F558-I562 HydrophobicContact CD2-CD1 4.11Å; F558-I562 HydrophobicContact CE1-CD1 3.81Å; F558-I562 HydrophobicContact CE2-CD1 3.49Å; F558-I562 VanDerWaalsContact CE2-CD1 3.49Å; F558-I562 HydrophobicContact CZ-CD1 3.32Å; F558-I562 PolarHBondContact O-N 3.46Å; F558-I562 VanDerWaalsContact O-N 3.1Å
559L87Confident78.6Confident87 Ų8799.8 Ų99.846%0.45550%0.496SS..Hα-helixtrans-68.8-36.2174.6-70.8171000112.2D555 N556 I562 K563D555-L559 WeakPolarHBondContact O-CB 3.32Å; D555-L559 VanDerWaalsContact O-CG 3.32Å; D555-L559 WeakPolarHBondContact O-CG 3.35Å; D555-L559 PolarHBondContact O-N 2.77Å; N556-L559 PolarHBondContact O-N 2.85Å; L559-I562 PolarHBondContact O-N 2.91Å; L559-K563 VanDerWaalsContact O-CB 3.23Å; L559-K563 WeakPolarHBondContact O-CB 3.42Å; L559-K563 WeakPolarHBondContact O-CD 3.35Å; L559-K563 WeakPolarHBondContact O-CG 3.48Å; L559-K563 PolarHBondContact O-N 2.97Å
560E86.9Confident80.7Confident105 Ų10599.7 Ų99.749%0.49149%0.492SS..Hα-helixtrans-64.4-40.1175.1-173.2170.4-151.600111.7N556 Y557 P564N556-E560 VanDerWaalsContact O-CB 3.23Å; N556-E560 WeakPolarHBondContact O-CB 3.49Å; N556-E560 PolarHBondContact O-N 3.09Å; Y557-E560 PolarHBondContact O-N 3.01Å; E560-P564 WeakPolarHBondContact O-CD 3.26Å
561M85.6Confident82.5Confident99 Ų9998.5 Ų98.549%0.48849%0.494SS..Hα-helixtrans-67.5-38174.5-176.5-177.87100113.2Y557 F558Y557-M561 WeakPolarHBondContact O-CB 3.47Å; Y557-M561 PolarHBondContact O-N 3.4Å; F558-M561 HydrophobicContact CD2-CE 4.12Å
562I85.8Confident83.9Confident26 Ų26102.9 Ų102.913%0.13350%0.503CS..Hα-helixtrans-89.1-24.7-176.4-70.8-179.4000112.9F558 L559 Q565 M566 F577F558-I562 HydrophobicContact CD1-CD1 4.39Å; F558-I562 HydrophobicContact CD2-CD1 4.11Å; F558-I562 HydrophobicContact CE1-CD1 3.81Å; F558-I562 HydrophobicContact CE2-CD1 3.49Å; F558-I562 VanDerWaalsContact CE2-CD1 3.49Å; F558-I562 HydrophobicContact CZ-CD1 3.32Å; F558-I562 PolarHBondContact O-N 3.46Å; F558-I562 VanDerWaalsContact O-N 3.1Å; L559-I562 PolarHBondContact O-N 2.91Å; I562-Q565 PolarHBondContact O-N 3.29Å; I562-M566 HydrophobicContact CG2-CG 3.7Å; I562-M566 HydrophobicContact CG2-SD 3.76Å; I562-M566 WeakPolarHBondContact O-CB 3.43Å; I562-M566 PolarHBondContact O-N 2.89Å; I562-F577 HydrophobicContact CG2-CZ 4.45Å
563K87.3Confident85.3Confident134 Ų134104.7 Ų104.758%0.58351%0.506SS*.Hα-helixtrans-51.4-47.6178.9-91.1164.1-174.6175.50113.7L559 M566 Q567L559-K563 VanDerWaalsContact O-CB 3.23Å; L559-K563 WeakPolarHBondContact O-CB 3.42Å; L559-K563 WeakPolarHBondContact O-CD 3.35Å; L559-K563 WeakPolarHBondContact O-CG 3.48Å; L559-K563 PolarHBondContact O-N 2.97Å; K563-M566 CarbonylContact O-C 3.52Å; K563-M566 PolarHBondContact O-N 3.21Å; K563-Q567 WeakPolarHBondContact O-CB 3.4Å; K563-Q567 PolarHBondContact O-N 3.39Å
564P89.6Confident87Confident78 Ų7899.8 Ų99.851%0.50648%0.484SS..Hα-helixtrans-60.8-46.8177.2-24.934.8000112.8E560 M566 Q567 E568E560-P564 WeakPolarHBondContact O-CD 3.26Å; P564-M566 PolarHBondContact O-N 3.11Å; P564-Q567 WeakPolarHBondContact O-CA 3.45Å; P564-Q567 WeakPolarHBondContact O-CB 3.47Å; P564-Q567 PolarHBondContact O-N 2.8Å; P564-E568 PolarHBondContact O-N 2.81Å
565Q85.3Confident87.7Confident115 Ų115101.7 Ų101.754%0.53749%0.491SS..Hα-helixtrans-62.3-43.4178.1-61.9-179.9-17.600111.1I562 Q567 E568 M569I562-Q565 PolarHBondContact O-N 3.29Å; Q565-Q567 VanDerWaalsContact C-N 3.27Å; Q565-Q567 PolarHBondContact O-N 2.85Å; Q565-E568 PolarHBondContact O-N 2.87Å; Q565-M569 WeakPolarHBondContact O-CG 3.34Å; Q565-M569 PolarHBondContact O-N 2.88Å; Q565-M569 VanDerWaalsContact O-N 3.11Å
566M85.4Confident88.5Confident82 Ų82102.6 Ų102.640%0.40449%0.492SS..Hα-helixtrans-66.3-24.4172.3-84.7-17364.200113.4I562 K563 P564 K574 F577I562-M566 HydrophobicContact CG2-CG 3.7Å; I562-M566 HydrophobicContact CG2-SD 3.76Å; I562-M566 WeakPolarHBondContact O-CB 3.43Å; I562-M566 PolarHBondContact O-N 2.89Å; K563-M566 CarbonylContact O-C 3.52Å; K563-M566 PolarHBondContact O-N 3.21Å; P564-M566 PolarHBondContact O-N 3.11Å; M566-K574 WeakPolarHBondContact O-CE 3.39Å; M566-K574 PolarHBondContact O-NZ 3.04Å; M566-F577 HydrophobicContact CE-CE1 4.41Å; M566-F577 HydrophobicContact CG-CE1 4.15Å; M566-F577 HydrophobicContact SD-CD1 4.47Å; M566-F577 HydrophobicContact SD-CE1 3.7Å; M566-F577 HydrophobicContact SD-CZ 4.28Å
567Q88.5Confident89Confident159 Ų159100.4 Ų100.474%0.74348%0.477SS*.Hα-helixtrans-73.9-50.2175.6-175.1169.2-13.700109.9K563 P564 Q565 M569 K574K563-Q567 WeakPolarHBondContact O-CB 3.4Å; K563-Q567 PolarHBondContact O-N 3.39Å; P564-Q567 WeakPolarHBondContact O-CA 3.45Å; P564-Q567 WeakPolarHBondContact O-CB 3.47Å; P564-Q567 PolarHBondContact O-N 2.8Å; Q565-Q567 VanDerWaalsContact C-N 3.27Å; Q565-Q567 PolarHBondContact O-N 2.85Å; Q567-M569 VanDerWaalsContact C-N 3.34Å; Q567-M569 PolarHBondContact O-N 2.94Å; Q567-K574 PolarHBondContact O-NZ 2.72Å
568E91.3Very high89.3Confident169 Ų169103.9 Ų103.979%0.7949%0.494SS*.Hα-helixtrans-59.8-34.6179.4-171.9175.3-16600113.8P564 Q565 N570P564-E568 PolarHBondContact O-N 2.81Å; Q565-E568 PolarHBondContact O-N 2.87Å; E568-N570 PolarHBondContact O-N 3.37Å
569M92.3Very high89.7Confident38 Ų38105.2 Ų105.219%0.18750%0.499CS..SBendtrans-61130.8-179.3-77.7160.756.200114.2Q565 Q567 Q573 K574 F577Q565-M569 WeakPolarHBondContact O-CG 3.34Å; Q565-M569 PolarHBondContact O-N 2.88Å; Q565-M569 VanDerWaalsContact O-N 3.11Å; Q567-M569 VanDerWaalsContact C-N 3.34Å; Q567-M569 PolarHBondContact O-N 2.94Å; M569-Q573 HydrophobicContact CB-CB 4.01Å; M569-Q573 HydrophobicContact CE-CB 4.16Å; M569-Q573 WeakPolarHBondContact CE-O 3.37Å; M569-Q573 HydrophobicContact CG-CB 4.16Å; M569-K574 HydrophobicContact CB-CG 3.94Å; M569-K574 HydrophobicContact CE-CG 4.38Å; M569-K574 VanDerWaalsContact O-CD 3.24Å; M569-K574 WeakPolarHBondContact O-CD 3.27Å; M569-K574 WeakPolarHBondContact O-CE 3.45Å; M569-K574 PolarHBondContact O-NZ 3.45Å; M569-F577 HydrophobicContact CE-CB 3.44Å; M569-F577 VanDerWaalsContact CE-CB 3.44Å; M569-F577 HydrophobicContact CE-CD1 4.4Å; M569-F577 HydrophobicContact CE-CD2 4.42Å; M569-F577 HydrophobicContact CE-CG 3.88Å
570N93.8Very high89.8Confident111 Ų111108.5 Ų108.559%0.59451%0.51SS*.  trans-65.8152.2174.3-150.2-3.7000110.7E568 R572 Q573 K574E568-N570 PolarHBondContact O-N 3.37Å; N570-R572 PolarHBondContact O-N 3.48Å; N570-Q573 WeakPolarHBondContact O-CA 3.1Å; N570-Q573 WeakPolarHBondContact O-CB 3.27Å; N570-Q573 PolarHBondContact O-N 3.24Å; N570-K574 PolarHBondContact O-N 3.4Å
571P92.4Very high89.9Confident90 Ų90106.7 Ų106.758%0.58451%0.506SS*.Hα-helixtrans-55.2-30.7-174.5-31.639.6000115.6K574 M575P571-K574 PolarHBondContact O-N 2.79Å; P571-M575 WeakPolarHBondContact O-CB 3.44Å; P571-M575 PolarHBondContact O-N 2.95Å
572R90.8Very high90Very high182 Ų182108 Ų10869%0.68751%0.509SS*.Hα-helixtrans-62.5-45.9171.5-172177.2-66.4-88.51111.8N570 M575 H576N570-R572 PolarHBondContact O-N 3.48Å; R572-M575 PolarHBondContact O-N 2.82Å; R572-H576 PolarHBondContact O-CD2 2.95Å; R572-H576 PolarHBondContact O-N 2.99Å
573Q91.3Very high90.1Very high106 Ų106112.5 Ų112.550%0.49553%0.53SS..Hα-helixtrans-65.4-41.3175-67164.9-35.200111.3M569 N570 M575 H576 F577M569-Q573 HydrophobicContact CB-CB 4.01Å; M569-Q573 HydrophobicContact CE-CB 4.16Å; M569-Q573 WeakPolarHBondContact CE-O 3.37Å; M569-Q573 HydrophobicContact CG-CB 4.16Å; N570-Q573 WeakPolarHBondContact O-CA 3.1Å; N570-Q573 WeakPolarHBondContact O-CB 3.27Å; N570-Q573 PolarHBondContact O-N 3.24Å; Q573-M575 VanDerWaalsContact C-N 3.3Å; Q573-M575 PolarHBondContact O-N 3.46Å; Q573-H576 PolarHBondContact O-N 3.05Å; Q573-F577 WeakPolarHBondContact O-CB 2.72Å; Q573-F577 PolarHBondContact O-N 3.18Å
574K91.8Very high89.8Confident79 Ų79107.9 Ų107.934%0.34352%0.516SS..Hα-helixtrans-57.1-41.7172.7-71.8166.9165139.50111.7M566 Q567 M569 N570 P571 K578M566-K574 WeakPolarHBondContact O-CE 3.39Å; M566-K574 PolarHBondContact O-NZ 3.04Å; Q567-K574 PolarHBondContact O-NZ 2.72Å; M569-K574 HydrophobicContact CB-CG 3.94Å; M569-K574 HydrophobicContact CE-CG 4.38Å; M569-K574 VanDerWaalsContact O-CD 3.24Å; M569-K574 WeakPolarHBondContact O-CD 3.27Å; M569-K574 WeakPolarHBondContact O-CE 3.45Å; M569-K574 PolarHBondContact O-NZ 3.45Å; N570-K574 PolarHBondContact O-N 3.4Å; P571-K574 PolarHBondContact O-N 2.79Å; K574-K578 WeakPolarHBondContact O-CB 2.97Å; K574-K578 PolarHBondContact O-N 3.36Å
575M92.5Very high89.5Confident74 Ų74107 Ų10737%0.36551%0.507SS..Hα-helixtrans-67.1-44.6175.1-178.8-84.1-67.900112.4P571 R572 Q573 F577 K578 K579P571-M575 WeakPolarHBondContact O-CB 3.44Å; P571-M575 PolarHBondContact O-N 2.95Å; R572-M575 PolarHBondContact O-N 2.82Å; Q573-M575 VanDerWaalsContact C-N 3.3Å; Q573-M575 PolarHBondContact O-N 3.46Å; M575-F577 PolarHBondContact O-N 2.84Å; M575-K578 PolarHBondContact O-N 3.47Å; M575-K579 WeakPolarHBondContact O-CG 3.35Å; M575-K579 PolarHBondContact O-N 2.91Å; M575-K579 HydrophobicContact SD-CD 3.72Å; M575-K579 VanDerWaalsContact SD-CE 3.58Å; M575-K579 HydrophobicContact SD-CG 4.14Å
576H90.9Very high89.3Confident98 Ų98104.6 Ų104.645%0.45450%0.496SS..Hα-helixtrans-64.6-37.2174.8-72.4-69.5000112.9R572 Q573 K579 K580R572-H576 PolarHBondContact O-CD2 2.95Å; R572-H576 PolarHBondContact O-N 2.99Å; Q573-H576 PolarHBondContact O-N 3.05Å; H576-K579 PolarHBondContact O-N 3.29Å; H576-K580 PolarHBondContact O-N 2.71Å
577F92.4Very high89Confident80 Ų80106.7 Ų106.735%0.35151%0.505SS..Hα-helixtrans-65.6-45.9173175.9-99.8000111.5I562 M566 M569 Q573 M575 K579 K580 V581I562-F577 HydrophobicContact CG2-CZ 4.45Å; M566-F577 HydrophobicContact CE-CE1 4.41Å; M566-F577 HydrophobicContact CG-CE1 4.15Å; M566-F577 HydrophobicContact SD-CD1 4.47Å; M566-F577 HydrophobicContact SD-CE1 3.7Å; M566-F577 HydrophobicContact SD-CZ 4.28Å; M569-F577 HydrophobicContact CE-CB 3.44Å; M569-F577 VanDerWaalsContact CE-CB 3.44Å; M569-F577 HydrophobicContact CE-CD1 4.4Å; M569-F577 HydrophobicContact CE-CD2 4.42Å; M569-F577 HydrophobicContact CE-CG 3.88Å; Q573-F577 WeakPolarHBondContact O-CB 2.72Å; Q573-F577 PolarHBondContact O-N 3.18Å; M575-F577 PolarHBondContact O-N 2.84Å; F577-K579 VanDerWaalsContact C-N 3.29Å; F577-K579 PolarHBondContact O-N 3.08Å; F577-K580 PolarHBondContact O-N 3.29Å; F577-K580 VanDerWaalsContact O-N 3.17Å; F577-V581 HydrophobicContact CD1-CG2 4.3Å; F577-V581 HydrophobicContact CD2-CG2 4.49Å; F577-V581 HydrophobicContact CE1-CG2 4Å; F577-V581 HydrophobicContact CE2-CG2 4.21Å; F577-V581 HydrophobicContact CZ-CG2 3.96Å; F577-V581 WeakPolarHBondContact O-CB 3.44Å; F577-V581 WeakPolarHBondContact O-CG2 3.21Å; F577-V581 PolarHBondContact O-N 3.31Å
578K91.8Very high88.2Confident162 Ų162101.7 Ų101.770%0.70449%0.486SS*.Hα-helixtrans-56.8-42172.5-173.5-179.8178.5-175.90111.4K574 M575 F582K574-K578 WeakPolarHBondContact O-CB 2.97Å; K574-K578 PolarHBondContact O-N 3.36Å; M575-K578 PolarHBondContact O-N 3.47Å; K578-F582 WeakPolarHBondContact O-CB 3.36Å; K578-F582 PolarHBondContact O-N 2.8Å
579K90.2Very high86.6Confident136 Ų13697.6 Ų97.659%0.59147%0.465SS*.Hα-helixtrans-63.2-47.1173.1-76.7-170.1174-169.80112.5M575 H576 F577 V581 F582 Q583M575-K579 WeakPolarHBondContact O-CG 3.35Å; M575-K579 PolarHBondContact O-N 2.91Å; M575-K579 HydrophobicContact SD-CD 3.72Å; M575-K579 VanDerWaalsContact SD-CE 3.58Å; M575-K579 HydrophobicContact SD-CG 4.14Å; H576-K579 PolarHBondContact O-N 3.29Å; F577-K579 VanDerWaalsContact C-N 3.29Å; F577-K579 PolarHBondContact O-N 3.08Å; K579-V581 PolarHBondContact O-N 3.29Å; K579-F582 PolarHBondContact O-N 2.95Å; K579-Q583 WeakPolarHBondContact O-CB 3.49Å; K579-Q583 PolarHBondContact O-N 3.39Å
580K89.9Confident84.8Confident155 Ų155101.2 Ų101.267%0.67449%0.485SS*.Hα-helixtrans-61.8-40.7176.5-76.2-170175.1-1700112.4H576 F577 A584H576-K580 PolarHBondContact O-N 2.71Å; F577-K580 PolarHBondContact O-N 3.29Å; F577-K580 VanDerWaalsContact O-N 3.17Å; K580-A584 WeakPolarHBondContact O-CB 3.37Å; K580-A584 PolarHBondContact O-N 3.39Å
581V89.6Confident82.6Confident67 Ų67100 Ų10041%0.40648%0.479SS..Hα-helixtrans-64.5-41.1174.31710000111.2F577 K579 L585F577-V581 HydrophobicContact CD1-CG2 4.3Å; F577-V581 HydrophobicContact CD2-CG2 4.49Å; F577-V581 HydrophobicContact CE1-CG2 4Å; F577-V581 HydrophobicContact CE2-CG2 4.21Å; F577-V581 HydrophobicContact CZ-CG2 3.96Å; F577-V581 WeakPolarHBondContact O-CB 3.44Å; F577-V581 WeakPolarHBondContact O-CG2 3.21Å; F577-V581 PolarHBondContact O-N 3.31Å; K579-V581 PolarHBondContact O-N 3.29Å; V581-L585 HydrophobicContact CG1-CD1 4.14Å; V581-L585 WeakPolarHBondContact O-CD1 3.32Å; V581-L585 WeakPolarHBondContact O-CG 3.5Å; V581-L585 PolarHBondContact O-N 3.02Å
582F87Confident80.4Confident127 Ų12799.1 Ų99.156%0.55748%0.479SS*.Hα-helixtrans-67.1-48.2176.6-174-96.1000112.3K578 K579 A584 L585 M586K578-F582 WeakPolarHBondContact O-CB 3.36Å; K578-F582 PolarHBondContact O-N 2.8Å; K579-F582 PolarHBondContact O-N 2.95Å; F582-A584 PolarHBondContact O-N 3.26Å; F582-L585 WeakPolarHBondContact O-CA 3.24Å; F582-L585 WeakPolarHBondContact O-CB 3.39Å; F582-L585 PolarHBondContact O-N 2.68Å; F582-M586 HydrophobicContact CD1-CG 3.95Å; F582-M586 HydrophobicContact CE1-CG 3.61Å; F582-M586 HydrophobicContact CE1-SD 3.78Å; F582-M586 HydrophobicContact CE2-CG 4.47Å; F582-M586 HydrophobicContact CE2-SD 4.2Å; F582-M586 HydrophobicContact CZ-CG 3.9Å; F582-M586 HydrophobicContact CZ-SD 3.52Å; F582-M586 VanDerWaalsContact CZ-SD 3.52Å; F582-M586 WeakPolarHBondContact O-CG 3.5Å; F582-M586 PolarHBondContact O-N 2.87Å
583Q87.4Confident78.4Confident121 Ų12196 Ų9657%0.56548%0.481SS*.Hα-helixtrans-57.3-51.5176.8-168.765.828.300111.1K579 L585 M586 E587K579-Q583 WeakPolarHBondContact O-CB 3.49Å; K579-Q583 PolarHBondContact O-N 3.39Å; Q583-L585 PolarHBondContact O-N 3.4Å; Q583-L585 VanDerWaalsContact O-N 3.17Å; Q583-M586 PolarHBondContact O-N 3.17Å; Q583-M586 VanDerWaalsContact O-N 3.09Å; Q583-E587 WeakPolarHBondContact O-CB 3.34Å; Q583-E587 PolarHBondContact O-N 3.04Å
584A82.1Confident76.2Confident37 Ų3796.5 Ų96.531%0.30649%0.487SS..Hα-helixtrans-66.1-16.8177.800000112.8K4 K580 F582 T588K4-A584 WeakPolarHBondContact CE-O 3.42Å; K4-A584 PolarHBondContact NZ-O 3Å; K580-A584 WeakPolarHBondContact O-CB 3.37Å; K580-A584 PolarHBondContact O-N 3.39Å; F582-A584 PolarHBondContact O-N 3.26Å; A584-T588 PolarHBondContact O-OG1 2.84Å
585L82.1Confident73.8Confident60 Ų6099.8 Ų99.831%0.31450%0.501SS..Hα-helixtrans-75.1-57.2166.4-76.2162.3000109.6K4 V581 F582 Q583 E587 T588 F589K4-L585 HydrophobicContact CG-CD2 4.38Å; V581-L585 HydrophobicContact CG1-CD1 4.14Å; V581-L585 WeakPolarHBondContact O-CD1 3.32Å; V581-L585 WeakPolarHBondContact O-CG 3.5Å; V581-L585 PolarHBondContact O-N 3.02Å; F582-L585 WeakPolarHBondContact O-CA 3.24Å; F582-L585 WeakPolarHBondContact O-CB 3.39Å; F582-L585 PolarHBondContact O-N 2.68Å; Q583-L585 PolarHBondContact O-N 3.4Å; Q583-L585 VanDerWaalsContact O-N 3.17Å; L585-E587 PolarHBondContact O-N 3.05Å; L585-T588 CarbonylContact O-C 3.29Å; L585-T588 WeakPolarHBondContact O-CA 3.43Å; L585-T588 PolarHBondContact O-N 3.26Å; L585-T588 PolarHBondContact O-OG1 2.79Å; L585-F589 HydrophobicContact CD2-CE2 4.07Å; L585-F589 VanDerWaalsContact O-CD2 3.28Å; L585-F589 WeakPolarHBondContact O-CD2 3.37Å; L585-F589 PolarHBondContact O-N 3.33Å
586M81.1Confident71.4Confident63 Ų63101.7 Ų101.731%0.3152%0.519SS..Hα-helixtrans-55.3-48-175.4-59-86.74300112.2F582 Q583 T588 F589 D590F582-M586 HydrophobicContact CD1-CG 3.95Å; F582-M586 HydrophobicContact CE1-CG 3.61Å; F582-M586 HydrophobicContact CE1-SD 3.78Å; F582-M586 HydrophobicContact CE2-CG 4.47Å; F582-M586 HydrophobicContact CE2-SD 4.2Å; F582-M586 HydrophobicContact CZ-CG 3.9Å; F582-M586 HydrophobicContact CZ-SD 3.52Å; F582-M586 VanDerWaalsContact CZ-SD 3.52Å; F582-M586 WeakPolarHBondContact O-CG 3.5Å; F582-M586 PolarHBondContact O-N 2.87Å; Q583-M586 PolarHBondContact O-N 3.17Å; Q583-M586 VanDerWaalsContact O-N 3.09Å; M586-T588 PolarHBondContact O-N 2.6Å; M586-F589 HydrophobicContact CE-CB 4.46Å; M586-F589 PolarHBondContact O-N 3.36Å; M586-D590 WeakPolarHBondContact CB-OD2 3.46Å; M586-D590 PolarHBondContact O-N 3.17Å; M586-D590 VanDerWaalsContact O-OD2 3.08Å
587E80.7Confident68.9Low127 Ų127102.2 Ų102.259%0.59353%0.53SS*.THydrogen-bonded Turntrans-44.9-30.7170.9-175.4-170.9-179.200114.1Q583 L585Q583-E587 WeakPolarHBondContact O-CB 3.34Å; Q583-E587 PolarHBondContact O-N 3.04Å; L585-E587 PolarHBondContact O-N 3.05Å
588T70.8Confident66.8Low53 Ų53104.6 Ų104.633%0.32556%0.556SS.*THydrogen-bonded Turntrans-11216.1-178.762.60000114.7K4 R8 A584 L585 M586K4-T588 VanDerWaalsContact CD-OG1 3.27Å; K4-T588 WeakPolarHBondContact CD-OG1 3.3Å; K4-T588 WeakPolarHBondContact CE-OG1 3.38Å; K4-T588 PolarHBondContact NZ-OG1 3.46Å; R8-T588 PolarHBondContact NH2-O 2.78Å; A584-T588 PolarHBondContact O-OG1 2.84Å; L585-T588 CarbonylContact O-C 3.29Å; L585-T588 WeakPolarHBondContact O-CA 3.43Å; L585-T588 PolarHBondContact O-N 3.26Å; L585-T588 PolarHBondContact O-OG1 2.79Å; M586-T588 PolarHBondContact O-N 2.6Å
589F56.9Low64.5Low83 Ų83106.2 Ų106.236%0.36456%0.563SS.*THydrogen-bonded Turntrans-122.3-28.8168.4-80.3-78.1000111.8R8 L585 M586R8-F589 HydrophobicContact CG-CE1 4.24Å; R8-F589 HydrophobicContact CG-CZ 4.12Å; R8-F589 VanDerWaalsContact CZ-CE1 3.49Å; R8-F589 VanDerWaalsContact NH2-CD1 3.29Å; R8-F589 VanDerWaalsContact NH2-CZ 3.34Å; L585-F589 HydrophobicContact CD2-CE2 4.07Å; L585-F589 VanDerWaalsContact O-CD2 3.28Å; L585-F589 WeakPolarHBondContact O-CD2 3.37Å; L585-F589 PolarHBondContact O-N 3.33Å; M586-F589 HydrophobicContact CE-CB 4.46Å; M586-F589 PolarHBondContact O-N 3.36Å
590D55.1Low61.9Low114 Ų114107.2 Ų107.261%0.6157%0.57SS**SBendtrans-85.4-23177.2-60.5-46.2000113.3M586 A592M586-D590 WeakPolarHBondContact CB-OD2 3.46Å; M586-D590 PolarHBondContact O-N 3.17Å; M586-D590 VanDerWaalsContact O-OD2 3.08Å; D590-A592 PolarHBondContact O-N 2.96Å
591D47.3Very low59.7Low87 Ų87107.5 Ų107.547%0.46558%0.578SS.*  trans-71.880.5167.8-166.2-12.8000110.8T593 D594D591-T593 PolarHBondContact O-N 3.39Å; D591-T593 VanDerWaalsContact OD1-CB 3.32Å; D591-T593 WeakPolarHBondContact OD1-CB 3.36Å; D591-T593 WeakPolarHBondContact OD1-CG2 3.39Å; D591-T593 PolarHBondContact OD1-N 3.04Å; D591-T593 PolarHBondContact OD1-OG1 2.86Å; D591-D594 PolarHBondContact O-N 3.43Å
592A47Very low57.4Low71 Ų71111.4 Ų111.459%0.58759%0.592SS**THydrogen-bonded Turntrans-67.73.1177.800000113.6D590D590-A592 PolarHBondContact O-N 2.96Å
593T48.4Very low54.9Low117 Ų117113.9 Ų113.972%0.71860%0.604SS**THydrogen-bonded Turntrans-85.7-27.7175.175.80000113.1D591 F595D591-T593 PolarHBondContact O-N 3.39Å; D591-T593 VanDerWaalsContact OD1-CB 3.32Å; D591-T593 WeakPolarHBondContact OD1-CB 3.36Å; D591-T593 WeakPolarHBondContact OD1-CG2 3.39Å; D591-T593 PolarHBondContact OD1-N 3.04Å; D591-T593 PolarHBondContact OD1-OG1 2.86Å; T593-F595 PolarHBondContact O-N 2.6Å
594D45.1Very low52.4Low116 Ų116116.9 Ų116.962%0.6262%0.616SS**  trans-79.925.8177.3-166.142.6000113.6D591 P596D591-D594 PolarHBondContact O-N 3.43Å; D594-P596 VanDerWaalsContact O-CD 3.27Å; D594-P596 WeakPolarHBondContact O-CD 3.43Å
595F42.1Very low49.9Very low147 Ų147121.8 Ų121.865%0.64564%0.637SS**SBendtrans-84.5110.7157.9-79.1-84.5000108.6T593 T597T593-F595 PolarHBondContact O-N 2.6Å; F595-T597 PolarHBondContact O-N 3.04Å
596P42.2Very low48.2Very low114 Ų114126.6 Ų126.674%0.7466%0.661SS**  trans-63.499.4169.926-33.5000108.7D594 S598D594-P596 VanDerWaalsContact O-CD 3.27Å; D594-P596 WeakPolarHBondContact O-CD 3.43Å; P596-S598 PolarHBondContact O-N 2.86Å
597T37.3Very low46.1Very low110 Ų110131.1 Ų131.168%0.67569%0.687SS**  trans-57.7132.2176.655.20000108.5F595 K599 E600F595-T597 PolarHBondContact O-N 3.04Å; T597-K599 PolarHBondContact O-N 2.83Å; T597-E600 PolarHBondContact O-N 2.97Å
598S48.9Very low44.1Very low129 Ų129130 Ų13090%0.90269%0.689SS**THydrogen-bonded Turntrans-77.638.2-153.850.40000115.4P596P596-S598 PolarHBondContact O-N 2.86Å
599K44Very low42.6Very low196 Ų196133.3 Ų133.385%0.85271%0.711SS**THydrogen-bonded Turntrans-138.4-13.1178.5-69.7-172.8177178.80114.4T597 L601T597-K599 PolarHBondContact O-N 2.83Å; K599-L601 PolarHBondContact O-N 3.31Å; K599-L601 VanDerWaalsContact O-N 3.14Å
600E34.5Very low42Very low157 Ų157132.7 Ų132.773%0.73472%0.717SS**  trans-76.6103.3172.5-172.8155.3-142.800110.2T597 Q602T597-E600 PolarHBondContact O-N 2.97Å; E600-Q602 VanDerWaalsContact C-N 3.28Å; E600-Q602 PolarHBondContact O-N 3.03Å
601L45.3Very low41.6Very low162 Ų162131 Ų13185%0.84873%0.726SS**  trans-7188.1164.7-76.6167.9000108.1K599 H603K599-L601 PolarHBondContact O-N 3.31Å; K599-L601 VanDerWaalsContact O-N 3.14Å; L601-H603 PolarHBondContact O-N 3.15Å
602Q40.7Very low41.7Very low149 Ų149133.4 Ų133.470%0.69673%0.733SS**  trans-55110.8164.7-75.7-170.2-7.900108.3E600 F604E600-Q602 VanDerWaalsContact C-N 3.28Å; E600-Q602 PolarHBondContact O-N 3.03Å; Q602-F604 PolarHBondContact O-N 3.05Å; Q602-F604 VanDerWaalsContact O-N 3.08Å
603H34Very low42.1Very low178 Ų178137.9 Ų137.982%0.82474%0.742SS**  trans-61.1111166.8-100.6-139.1000107.5L601 N605L601-H603 PolarHBondContact O-N 3.15Å; H603-N605 PolarHBondContact O-N 2.85Å
604F34.1Very low42.2Very low185 Ų185140.5 Ų140.581%0.81175%0.746SS**  trans-59.8111.4166.5-79-89.1000108Q602 I606Q602-F604 PolarHBondContact O-N 3.05Å; Q602-F604 VanDerWaalsContact O-N 3.08Å; F604-I606 PolarHBondContact O-N 3.5Å
605N30.5Very low42.8Very low139 Ų139137.9 Ų137.974%0.74373%0.731SS**  trans-59.8123173.5-96.8-30.5000108.6H603 N607 T608H603-N605 PolarHBondContact O-N 2.85Å; N605-N607 PolarHBondContact O-N 3.46Å; N605-T608 PolarHBondContact O-N 3.49Å; N605-T608 PolarHBondContact O-OG1 3.34Å
606I45.5Very low44.1Very low161 Ų161134.3 Ų134.383%0.82672%0.721SS**THydrogen-bonded Turntrans-64.3-12.6-163.7-66169.8000112.8F604 T608F604-I606 PolarHBondContact O-N 3.5Å; I606-T608 PolarHBondContact O-N 2.82Å
607N37.8Very low45.3Very low159 Ų159134.4 Ų134.485%0.8572%0.715SS**THydrogen-bonded Turntrans-97.726.2-174.3-59.3-5.3000113.8N605N605-N607 PolarHBondContact O-N 3.46Å
608T38.3Very low46.9Very low104 Ų104132.8 Ų132.864%0.63871%0.707SS**SBendtrans-101124167.8-34.60000107.8N605 I606 S610N605-T608 PolarHBondContact O-N 3.49Å; N605-T608 PolarHBondContact O-OG1 3.34Å; I606-T608 PolarHBondContact O-N 2.82Å; T608-S610 PolarHBondContact O-N 2.92Å
609P39Very low48.1Very low121 Ų121131.1 Ų131.179%0.78669%0.685SS**  trans-60.2129.3-171.822.5-33.1000111.4G611P609-G611 PolarHBondContact O-N 2.9Å
610S45.2Very low49.5Very low71 Ų71124.7 Ų124.750%0.49766%0.659SS.*  trans-71.1110.7-174.3-176.90000110.5T608 F612T608-S610 PolarHBondContact O-N 2.92Å; S610-F612 PolarHBondContact O-N 3.44Å
611G46.3Very low51.3Low77 Ų77124.2 Ų124.279%0.79465%0.651SS**THydrogen-bonded Turntrans-67.525.517300000114.9P609P609-G611 PolarHBondContact O-N 2.9Å
612F50.3Low53Low138 Ų138121.3 Ų121.361%0.60564%0.636SS**THydrogen-bonded Turntrans-12918.2-174.2-60.5-49.9000113.4S610 H614 I615S610-F612 PolarHBondContact O-N 3.44Å; F612-H614 PolarHBondContact O-N 3.23Å; F612-I615 HydrophobicContact CB-CD1 4.14Å; F612-I615 HydrophobicContact CB-CG1 4.11Å; F612-I615 HydrophobicContact CD1-CD1 3.24Å; F612-I615 HydrophobicContact CD1-CG1 3.87Å; F612-I615 HydrophobicContact CE1-CD1 3.76Å; F612-I615 HydrophobicContact CG-CD1 3.88Å; F612-I615 HydrophobicContact CG-CG1 4.36Å; F612-I615 PolarHBondContact O-N 3.01Å
613E55.3Low55Low166 Ų166117.8 Ų117.878%0.77662%0.624SS**THydrogen-bonded Turntrans-60.7-1.6172.3-67.8-178.6173.200114.4
614H50.3Low57.4Low172 Ų172117.4 Ų117.480%0.79662%0.616SS**THydrogen-bonded Turntrans-118.7-1.2176-58-16.1000113.7F612 T616F612-H614 PolarHBondContact O-N 3.23Å; H614-T616 PolarHBondContact O-N 3.1Å
615I57.8Low59.5Low61 Ų61113.9 Ų113.931%0.31360%0.602SS.*  trans-81.3116.2173.2-57.4-167.7000108.9F612 E619 L620F612-I615 HydrophobicContact CB-CD1 4.14Å; F612-I615 HydrophobicContact CB-CG1 4.11Å; F612-I615 HydrophobicContact CD1-CD1 3.24Å; F612-I615 HydrophobicContact CD1-CG1 3.87Å; F612-I615 HydrophobicContact CE1-CD1 3.76Å; F612-I615 HydrophobicContact CG-CD1 3.88Å; F612-I615 HydrophobicContact CG-CG1 4.36Å; F612-I615 PolarHBondContact O-N 3.01Å; I615-E619 HydrophobicContact CG2-CB 3.61Å; I615-L620 HydrophobicContact CG2-CD2 3.88Å; I615-L620 HydrophobicContact CG2-CG 3.77Å
616T69.3Low62.1Low71 Ų71111.4 Ų111.444%0.43659%0.588SS.*  trans-77.8156.5179.266.40000111.9H614 P618 E619 L620H614-T616 PolarHBondContact O-N 3.1Å; T616-P618 VanDerWaalsContact C-CD 3.47Å; T616-P618 WeakPolarHBondContact OG1-CD 3.32Å; T616-P618 WeakPolarHBondContact OG1-CG 3.47Å; T616-E619 WeakPolarHBondContact CB-OE2 3.14Å; T616-E619 PolarHBondContact N-OE2 3.35Å; T616-E619 WeakPolarHBondContact O-CA 3.23Å; T616-E619 WeakPolarHBondContact O-CB 3.27Å; T616-E619 PolarHBondContact O-N 3.12Å; T616-E619 WeakPolarHBondContact OG1-CG 3.23Å; T616-E619 PolarHBondContact OG1-OE2 3.42Å; T616-L620 PolarHBondContact O-N 3.48Å
617D67.4Low63.9Low116 Ų116108.2 Ų108.262%0.6258%0.576SS**Hα-helixtrans-49.3-41.1175.4-91.3-33.6000115.8E619 L620 R621D617-E619 VanDerWaalsContact C-N 3.32Å; D617-E619 PolarHBondContact O-N 2.79Å; D617-L620 PolarHBondContact O-N 3.29Å; D617-R621 WeakPolarHBondContact O-CB 3.4Å; D617-R621 PolarHBondContact O-N 3.46Å
618P70.3Confident65.8Low77 Ų77104.2 Ų104.250%0.556%0.56SS.*Hα-helixtrans-65.8-29.9173.424.7-33.7000113.7T616 R621 L622T616-P618 VanDerWaalsContact C-CD 3.47Å; T616-P618 WeakPolarHBondContact OG1-CD 3.32Å; T616-P618 WeakPolarHBondContact OG1-CG 3.47Å; P618-R621 WeakPolarHBondContact O-CB 3.36Å; P618-R621 PolarHBondContact O-N 3.15Å; P618-L622 WeakPolarHBondContact O-CB 3.2Å; P618-L622 PolarHBondContact O-N 3.38Å
619E74.8Confident67.3Low93 Ų93104.9 Ų104.944%0.43556%0.558SS.*Hα-helixtrans-75.7-39.8175-66.1165.4120.100111.3I615 T616 D617 R621 L622 V623I615-E619 HydrophobicContact CG2-CB 3.61Å; T616-E619 WeakPolarHBondContact CB-OE2 3.14Å; T616-E619 PolarHBondContact N-OE2 3.35Å; T616-E619 WeakPolarHBondContact O-CA 3.23Å; T616-E619 WeakPolarHBondContact O-CB 3.27Å; T616-E619 PolarHBondContact O-N 3.12Å; T616-E619 WeakPolarHBondContact OG1-CG 3.23Å; T616-E619 PolarHBondContact OG1-OE2 3.42Å; D617-E619 VanDerWaalsContact C-N 3.32Å; D617-E619 PolarHBondContact O-N 2.79Å; E619-R621 PolarHBondContact O-N 3.43Å; E619-L622 WeakPolarHBondContact O-CB 3.4Å; E619-L622 PolarHBondContact O-N 2.83Å; E619-L622 VanDerWaalsContact O-N 3.17Å; E619-V623 WeakPolarHBondContact O-CG2 3.38Å; E619-V623 PolarHBondContact O-N 3.14Å
620L73.8Confident69.1Low61 Ų61103.6 Ų103.632%0.31955%0.547SS..Hα-helixtrans-59.7-36.1168.4-73.7178.8000111.7I615 T616 D617 R624I615-L620 HydrophobicContact CG2-CD2 3.88Å; I615-L620 HydrophobicContact CG2-CG 3.77Å; T616-L620 PolarHBondContact O-N 3.48Å; D617-L620 PolarHBondContact O-N 3.29Å; L620-R624 WeakPolarHBondContact O-CB 3.45Å; L620-R624 WeakPolarHBondContact O-CD 3.46Å; L620-R624 WeakPolarHBondContact O-CG 3.49Å; L620-R624 PolarHBondContact O-N 3Å
621R71.4Confident70.2Confident148 Ų148103.1 Ų103.156%0.55854%0.544SS*.Hα-helixtrans-65.5-47.1172.5-170.9-179.1-61.9105.55.5111.2D617 P618 E619 V623 R624 E625D617-R621 WeakPolarHBondContact O-CB 3.4Å; D617-R621 PolarHBondContact O-N 3.46Å; P618-R621 WeakPolarHBondContact O-CB 3.36Å; P618-R621 PolarHBondContact O-N 3.15Å; E619-R621 PolarHBondContact O-N 3.43Å; R621-V623 VanDerWaalsContact C-N 3.34Å; R621-V623 PolarHBondContact O-N 3.1Å; R621-R624 PolarHBondContact O-N 2.85Å; R621-E625 WeakPolarHBondContact O-CB 3.36Å; R621-E625 PolarHBondContact O-N 2.83Å
622L81.6Confident70.7Confident101 Ų101102.1 Ų102.153%0.52953%0.528SS..Hα-helixtrans-59.7-42.4177.2-166.283.2000112P618 E619 E625 L626P618-L622 WeakPolarHBondContact O-CB 3.2Å; P618-L622 PolarHBondContact O-N 3.38Å; E619-L622 WeakPolarHBondContact O-CB 3.4Å; E619-L622 PolarHBondContact O-N 2.83Å; E619-L622 VanDerWaalsContact O-N 3.17Å; L622-E625 PolarHBondContact O-N 3.45Å; L622-L626 HydrophobicContact CD2-CD1 4.42Å; L622-L626 HydrophobicContact CG-CD1 4.24Å; L622-L626 WeakPolarHBondContact O-CB 3.17Å; L622-L626 WeakPolarHBondContact O-CG 3.44Å; L622-L626 PolarHBondContact O-N 3.11Å
623V81.4Confident71.1Confident75 Ų7598 Ų9846%0.45552%0.519SS..Hα-helixtrans-64.7-43.2175.9170.30000111E619 R621 E625 L626 V627E619-V623 WeakPolarHBondContact O-CG2 3.38Å; E619-V623 PolarHBondContact O-N 3.14Å; R621-V623 VanDerWaalsContact C-N 3.34Å; R621-V623 PolarHBondContact O-N 3.1Å; V623-E625 VanDerWaalsContact C-N 3.34Å; V623-E625 PolarHBondContact O-N 3.19Å; V623-L626 PolarHBondContact O-N 3.21Å; V623-V627 WeakPolarHBondContact O-CB 3.48Å; V623-V627 VanDerWaalsContact O-CG2 3.27Å; V623-V627 WeakPolarHBondContact O-CG2 3.22Å; V623-V627 PolarHBondContact O-N 2.84Å
624R85.1Confident71.1Confident170 Ų17097.7 Ų97.764%0.64252%0.516SS*.Hα-helixtrans-63.7-38.7175-71.1165.2-171.8173.86111.9L620 R621 S628L620-R624 WeakPolarHBondContact O-CB 3.45Å; L620-R624 WeakPolarHBondContact O-CD 3.46Å; L620-R624 WeakPolarHBondContact O-CG 3.49Å; L620-R624 PolarHBondContact O-N 3Å; R621-R624 PolarHBondContact O-N 2.85Å; R624-S628 WeakPolarHBondContact O-CB 3.37Å; R624-S628 PolarHBondContact O-N 3.17Å
625E78.3Confident71.2Confident111 Ų11194.9 Ų94.952%0.51951%0.51SS..Hα-helixtrans-68.8-43.7176.9-172.7167.8-176.300111.9R621 L622 V623 V627 S628 M629R621-E625 WeakPolarHBondContact O-CB 3.36Å; R621-E625 PolarHBondContact O-N 2.83Å; L622-E625 PolarHBondContact O-N 3.45Å; V623-E625 VanDerWaalsContact C-N 3.34Å; V623-E625 PolarHBondContact O-N 3.19Å; E625-V627 PolarHBondContact O-N 3.48Å; E625-S628 CarbonylContact O-C 3.55Å; E625-S628 WeakPolarHBondContact O-CB 3.35Å; E625-S628 PolarHBondContact O-N 3.01Å; E625-S628 VanDerWaalsContact O-N 3.15Å; E625-M629 PolarHBondContact O-N 2.87Å
626L86Confident70.9Confident87 Ų8797.1 Ų97.146%0.45553%0.527SS..Hα-helixtrans-60.7-43.4171.8-83.4163.5000112.2L622 V623 S628 M629 V630L622-L626 HydrophobicContact CD2-CD1 4.42Å; L622-L626 HydrophobicContact CG-CD1 4.24Å; L622-L626 WeakPolarHBondContact O-CB 3.17Å; L622-L626 WeakPolarHBondContact O-CG 3.44Å; L622-L626 PolarHBondContact O-N 3.11Å; V623-L626 PolarHBondContact O-N 3.21Å; L626-S628 VanDerWaalsContact C-N 3.3Å; L626-S628 PolarHBondContact O-N 3.44Å; L626-M629 PolarHBondContact O-N 3.35Å; L626-V630 WeakPolarHBondContact O-CB 3.32Å; L626-V630 VanDerWaalsContact O-CG2 3.26Å; L626-V630 WeakPolarHBondContact O-CG2 3.38Å; L626-V630 PolarHBondContact O-N 3.4Å
627V82.7Confident69.7Low94 Ų94101.2 Ų101.257%0.5755%0.545SS*.Hα-helixtrans-64.1-36.6174.4169.40000111.2V623 E625 S631V623-V627 WeakPolarHBondContact O-CB 3.48Å; V623-V627 VanDerWaalsContact O-CG2 3.27Å; V623-V627 WeakPolarHBondContact O-CG2 3.22Å; V623-V627 PolarHBondContact O-N 2.84Å; E625-V627 PolarHBondContact O-N 3.48Å; V627-S631 WeakPolarHBondContact O-CB 3.47Å; V627-S631 PolarHBondContact O-N 2.91Å; V627-S631 PolarHBondContact O-OG 3Å
628S77.3Confident68.6Low75 Ų75102.9 Ų102.952%0.52455%0.553SS.*Hα-helixtrans-66.5-45.9174-165.60000112.1R624 E625 L626 S631 A632R624-S628 WeakPolarHBondContact O-CB 3.37Å; R624-S628 PolarHBondContact O-N 3.17Å; E625-S628 CarbonylContact O-C 3.55Å; E625-S628 WeakPolarHBondContact O-CB 3.35Å; E625-S628 PolarHBondContact O-N 3.01Å; E625-S628 VanDerWaalsContact O-N 3.15Å; L626-S628 VanDerWaalsContact C-N 3.3Å; L626-S628 PolarHBondContact O-N 3.44Å; S628-S631 WeakPolarHBondContact CA-OG 3.35Å; S628-S631 PolarHBondContact O-N 3.04Å; S628-S631 PolarHBondContact O-OG 2.79Å; S628-S631 VanDerWaalsContact O-OG 3.04Å; S628-A632 WeakPolarHBondContact O-CB 3.5Å; S628-A632 PolarHBondContact O-N 2.98Å
629M68.9Low67Low118 Ų118107.5 Ų107.558%0.58156%0.56SS**Hα-helixtrans-61.6-44.9174-81175.449.200112.4E625 L626 A632 A633E625-M629 PolarHBondContact O-N 2.87Å; L626-M629 PolarHBondContact O-N 3.35Å; M629-A632 PolarHBondContact O-N 3.07Å; M629-A633 VanDerWaalsContact O-CB 3.26Å; M629-A633 WeakPolarHBondContact O-CB 3.2Å; M629-A633 PolarHBondContact O-N 2.95Å
630V77Confident65.1Low93 Ų93107.9 Ų107.956%0.56457%0.571SS**Hα-helixtrans-67.6-39.2-179.9168.70000111.1L626 K634L626-V630 WeakPolarHBondContact O-CB 3.32Å; L626-V630 VanDerWaalsContact O-CG2 3.26Å; L626-V630 WeakPolarHBondContact O-CG2 3.38Å; L626-V630 PolarHBondContact O-N 3.4Å; V630-K634 WeakPolarHBondContact O-CB 3.45Å; V630-K634 PolarHBondContact O-N 2.95Å
631S68.8Low63.8Low62 Ų62111.8 Ų111.843%0.43460%0.6SS.*Hα-helixtrans-69.4-39.1174.852.80000112.3V627 S628 K634 V635V627-S631 WeakPolarHBondContact O-CB 3.47Å; V627-S631 PolarHBondContact O-N 2.91Å; V627-S631 PolarHBondContact O-OG 3Å; S628-S631 WeakPolarHBondContact CA-OG 3.35Å; S628-S631 PolarHBondContact O-N 3.04Å; S628-S631 PolarHBondContact O-OG 2.79Å; S628-S631 VanDerWaalsContact O-OG 3.04Å; S631-K634 PolarHBondContact O-N 3.49Å; S631-V635 WeakPolarHBondContact O-CG2 3.45Å; S631-V635 PolarHBondContact O-N 2.92Å; S631-V635 VanDerWaalsContact O-N 3.14Å
632A57.8Low62.5Low56 Ų56107.1 Ų107.146%0.46360%0.597SS.*Hα-helixtrans-61.9-47.317100000112.2S628 M629 K634 V635 T636S628-A632 WeakPolarHBondContact O-CB 3.5Å; S628-A632 PolarHBondContact O-N 2.98Å; M629-A632 PolarHBondContact O-N 3.07Å; A632-K634 VanDerWaalsContact C-N 3.31Å; A632-K634 PolarHBondContact O-N 2.88Å; A632-V635 WeakPolarHBondContact O-CB 2.97Å; A632-V635 PolarHBondContact O-N 3.08Å; A632-V635 VanDerWaalsContact O-N 3.08Å; A632-T636 PolarHBondContact O-N 2.82Å
633A57.4Low60.5Low51 Ų51111.2 Ų111.242%0.42161%0.614SS.*Hα-helixtrans-59.2-42.1177.100000111.8M629 V635 T636 L637M629-A633 VanDerWaalsContact O-CB 3.26Å; M629-A633 WeakPolarHBondContact O-CB 3.2Å; M629-A633 PolarHBondContact O-N 2.95Å; A633-V635 VanDerWaalsContact C-N 3.25Å; A633-V635 PolarHBondContact O-N 3.48Å; A633-T636 WeakPolarHBondContact CA-OG1 3.26Å; A633-T636 PolarHBondContact O-N 3.41Å; A633-T636 PolarHBondContact O-OG1 3.24Å; A633-L637 PolarHBondContact O-N 3.31Å
634K56.1Low58.4Low160 Ų160111.8 Ų111.870%0.69663%0.626SS**Hα-helixtrans-65.6-24.2176.8-165.4172-175.6178.30113.4V630 S631 A632V630-K634 WeakPolarHBondContact O-CB 3.45Å; V630-K634 PolarHBondContact O-N 2.95Å; S631-K634 PolarHBondContact O-N 3.49Å; A632-K634 VanDerWaalsContact C-N 3.31Å; A632-K634 PolarHBondContact O-N 2.88Å
635V52.1Low56.4Low112 Ų112110.3 Ų110.368%0.67964%0.636SS**Hα-helixtrans-78.2-39.7168.1172.50000111.4S631 A632 A633 L637 I638S631-V635 WeakPolarHBondContact O-CG2 3.45Å; S631-V635 PolarHBondContact O-N 2.92Å; S631-V635 VanDerWaalsContact O-N 3.14Å; A632-V635 WeakPolarHBondContact O-CB 2.97Å; A632-V635 PolarHBondContact O-N 3.08Å; A632-V635 VanDerWaalsContact O-N 3.08Å; A633-V635 VanDerWaalsContact C-N 3.25Å; A633-V635 PolarHBondContact O-N 3.48Å; V635-L637 VanDerWaalsContact C-N 3.29Å; V635-L637 PolarHBondContact O-N 2.62Å; V635-I638 PolarHBondContact O-N 3.25Å
636T52.3Low54.6Low109 Ų109109.3 Ų109.367%0.66965%0.647SS**Hα-helixtrans-68.3-23.3178.958.20000114.5A632 A633 I638A632-T636 PolarHBondContact O-N 2.82Å; A633-T636 WeakPolarHBondContact CA-OG1 3.26Å; A633-T636 PolarHBondContact O-N 3.41Å; A633-T636 PolarHBondContact O-OG1 3.24Å; T636-I638 PolarHBondContact O-N 3.02Å
637L43.8Very low52.5Low157 Ų157113.3 Ų113.382%0.82267%0.667SS**THydrogen-bonded Turntrans-77.16.3-179.9-153.468.9000114.1A633 V635A633-L637 PolarHBondContact O-N 3.31Å; V635-L637 VanDerWaalsContact C-N 3.29Å; V635-L637 PolarHBondContact O-N 2.62Å
638I43.8Very low50.2Low150 Ų150113.6 Ų113.677%0.76968%0.68SS**SBendtrans-112.251.7175.4-40.8-177.2000111V635 T636V635-I638 PolarHBondContact O-N 3.25Å; T636-I638 PolarHBondContact O-N 3.02Å
639R36.4Very low48Very low174 Ų174116.8 Ų116.866%0.65770%0.696SS**  trans-143.9116.9158.9-168.3168.3-172.2142.45.2111.5E643R639-E643 PolarHBondContact NH2-O 3.03Å
640P35.9Very low46.3Very low102 Ų102115.5 Ų115.566%0.66270%0.704SS**  trans-72.5155.5173.631-34.7000111.4G642P640-G642 VanDerWaalsContact C-N 3.34Å; P640-G642 PolarHBondContact O-N 3.19Å
641P46.4Very low44.1Very low143 Ų143116.7 Ų116.793%0.92972%0.717SS**SBendtrans-76.583.2175.831.9-34.5000110.9
642G42.8Very low42.3Very low49 Ų49126 Ų12651%0.50574%0.743SS.*SBendtrans-174.7150175.500000110.2P640P640-G642 VanDerWaalsContact C-N 3.34Å; P640-G642 PolarHBondContact O-N 3.19Å
643E39.5Very low40.9Very low187 Ų187129.4 Ų129.487%0.87476%0.763SS**  trans55.279.1174.3-63.3175.9-171.200114.1R639R639-E643 PolarHBondContact NH2-O 3.03Å
644A38Very low39.7Very low87 Ų87130.1 Ų130.172%0.71978%0.775SS**  trans-130.537.4169.300000111.8
645T42.3Very low38.5Very low139 Ų139130.3 Ų130.385%0.85378%0.782SS**SBendtrans-126.2134.4170.7-40.60000108.4
646A40.7Very low37.4Very low91 Ų91129.3 Ų129.375%0.75279%0.785SS**SBendtrans70.4149.1-167.700000115.9
647I42Very low36.6Very low170 Ų170130.4 Ų130.487%0.87279%0.794SS**  trans69.161.2-177.2-38.7179.7000114.8
648A34.7Very low35.7Very low100 Ų100131.3 Ų131.383%0.82679%0.794SS**  trans-146.937.816400000112.4
649T32.5Very low35.3Very low143 Ų143129.2 Ų129.288%0.87779%0.788SS**  trans-12968.4-172.850.60000112.8
650A31.8Very low35Very low90 Ų90129.1 Ų129.174%0.74480%0.795SS**SBendtrans-158.1137.4157.200000111.3
651S32.2Very low34.8Very low119 Ų119136 Ų13683%0.83281%0.808SS**SBendtrans66.664.7152.7-52.60000120.6
652R29.3Very low33.9Very low258 Ų258132.4 Ų132.497%0.97480%0.796SS**  -172.4134.6122.1-110178.7172.8-149.8-4.9116.3
653S28.9Very low33.8Very low127 Ų127136 Ų13689%0.88881%0.811SS**  trans-163.3151.8161.1178.60000107.1
654G32.2Very low33.3Very low65 Ų65139.1 Ų139.167%0.6782%0.815SS**  cis-111.3-155.7-19.400000109.9
655I30.9Very low33Very low165 Ų165141.1 Ų141.185%0.84682%0.818SS**  cis-152.3115.425.6-72.4161.5000105.5
656A29.1Very low32.4Very low90 Ų90141.1 Ų141.174%0.74481%0.813SS**  67.8117.296.400000116.9
657P35.5Very low32.1Very low133 Ų133144.4 Ų144.486%0.86481%0.814SS**  trans-103.1158.6168.938.4-31.8000113.4
658E26Very low31.5Very low175 Ų175142.3 Ų142.382%0.81881%0.81SS**  trans-137.8104.8-164.1-178.480.3-133.400113.1
659V34Very low31.5Very low106 Ų106147.9 Ų147.964%0.64281%0.809SS**  trans69.4150.8143175.70000118
660Q31.1Very low31.4Very low172 Ų172149 Ų14980%0.80481%0.805SS**  cis-143.1133.410.4-141.3152.79400109.1
661R31.9Very low31.5Very low248 Ų248150.4 Ų150.494%0.93680%0.804SS**  55.5134.691.6-128.3-179.9-160.3147.26.1115.9
662G26.8Very low31.5Very low66 Ų66152.3 Ų152.368%0.6880%0.803SS**  cis-173.2-146.62.300000109
663P41.3Very low31.5Very low126 Ų126147.9 Ų147.982%0.81879%0.793SS**  cis-135.9161.1-11.541.7-25.7000115.9
664R29.2Very low31.6Very low252 Ų252153.5 Ų153.595%0.95180%0.795SS**  trans-171.8168.1137.6-106.7168-174.8-1700.5111.9
665T31.6Very low31.5Very low128 Ų128155.9 Ų155.979%0.78580%0.797SS**  trans-98.3173-170.449.80000111.7
666N28.5Very low31.3Very low139 Ų139159 Ų15974%0.74380%0.799SS**  cis-153.5170.819.1-144.2-7000113.5
667M34.3Very low31.6Very low160 Ų160163.6 Ų163.679%0.78880%0.803SS**  trans-39.8166.8-177.7-56.3-62175.400119.3
668T30.1Very low31.8Very low126 Ų126163.6 Ų163.677%0.77380%0.802SS**  cis-155.8160.814-19.90000112.4
669R33.8Very low31.9Very low217 Ų217158.4 Ų158.482%0.81980%0.796SS**  trans-139.4136168.6-170.3-172.2-157.8-97.55.2110.9
670Q31Very low31.6Very low166 Ų166160.3 Ų160.378%0.77681%0.808SS**  trans-143.2127.2171-73.8-67.7000110.8
671V33.3Very low31.6Very low120 Ų120155.6 Ų155.673%0.72781%0.806SS**  trans-143.3130.1161.7176.40000106.5
672I32.7Very low31.5Very low159 Ų159151.9 Ų151.982%0.81580%0.799SS**PPolyproline II helixtrans-79.6136.1-165.5-65.1173.6000112.1
673Q28.8Very low31.6Very low165 Ų165155.3 Ų155.377%0.77180%0.797SS**PPolyproline II helixtrans-80.4129.5178.3-178.6178.69.300111
674R32.6Very low31.1Very low245 Ų245156.6 Ų156.693%0.92580%0.796SS**PPolyproline II helixtrans-84.5137.2161.6-75.5-167.1177.8-1610.3109.6
675V29.5Very low30.9Very low116 Ų116148.6 Ų148.670%0.70378%0.783SS**PPolyproline II helixtrans-100.4136.6-175.1175.60000110.2
676Y26.5Very low31.5Very low230 Ų230147.6 Ų147.690%0.90278%0.779SS**  trans-147.4153.7150.3-134.8-97.4000110.1
677K34.8Very low31.4Very low187 Ų187147 Ų14781%0.81378%0.78SS**  trans-106.4161.8-177.8-90.9-173.3174.9-177.50112
678P40.5Very low31.3Very low132 Ų132144.5 Ų144.586%0.85778%0.779SS**  trans-102.1165.3-163.639.4-36.4000115.6
679G26.5Very low31.9Very low67 Ų67143.8 Ų143.869%0.69178%0.776SS**  trans129.1151.3169.300000113
680T28.9Very low31.8Very low146 Ų146138.6 Ų138.690%0.89678%0.78SS**  cis-161.3138.8-9.7-66.90000109.1
681G30.7Very low31.6Very low73 Ų73134.5 Ų134.575%0.75378%0.783SS**  trans68.7177.617400000115.1
682Q29.4Very low31.5Very low169 Ų169132.3 Ų132.379%0.7978%0.784SS**  cis-163.8170.8-30.2-163.7-178.1-53.600106.5
683E29.2Very low32.1Very low138 Ų138133.2 Ų133.265%0.64579%0.79SS**  trans77.5118.4161.3-52.8-85.9103.300119.7
684I31Very low32.3Very low153 Ų153131.2 Ų131.279%0.78579%0.785SS**  trans73.3150.8130.8-60.2172.5000119.8
685A24.6Very low33.5Very low84 Ų84128.7 Ų128.769%0.69478%0.78SS**  trans-114.2-162.3-179.500000109.6
686P43.9Very low34Very low107 Ų107132.8 Ų132.870%0.69578%0.783SS**  cis-134.7-153.8-6.738-15000112.8
687T28.1Very low34.4Very low126 Ų126129.4 Ų129.477%0.77378%0.78SS**  trans64.4129.2165.251.50000117.7
688S30.4Very low34.8Very low108 Ų108130.3 Ų130.376%0.75578%0.784SS**  cis74.2141.741.2-157.50000114.1
689P44.3Very low34.4Very low111 Ų111135.6 Ų135.672%0.72179%0.787SS**  cis-137.3170-47.440.7-26000114.7
690A31Very low35.2Very low108 Ų108140.5 Ų140.589%0.89380%0.796SS**  trans24.6127.5151.500000123.1
691G27.8Very low35.2Very low81 Ų81138.7 Ų138.784%0.83580%0.796SS**  trans175.6142.7157.100000115.4
692G30.5Very low35.5Very low74 Ų74139.8 Ų139.876%0.76380%0.798SS**  trans83.2115.3178.300000113.5
693L45.7Very low35.6Very low177 Ų177140.7 Ų140.793%0.92780%0.804SS**  cis55.3106.245-60.9176.3000114.2
694D32.5Very low35.5Very low124 Ų124137.9 Ų137.966%0.66381%0.812SS**  -158.2160.5119.2-143.26.4000113.4R696D694-R696 IonicContact OD1-NH2 3.91Å; D694-R696 IonicContact OD2-CZ 3.26Å; D694-R696 VanDerWaalsContact OD2-CZ 3.26Å; D694-R696 IonicContact OD2-NE 3.07Å; D694-R696 PolarHBondContact OD2-NE 2.8Å; D694-R696 IonicContact OD2-NH2 2.68Å; D694-R696 PolarHBondContact OD2-NH2 2.93Å
695K56.8Low35.2Very low192 Ų192134.2 Ų134.284%0.83581%0.812SS**  trans-113.2130.5170.1-57.5172.2-175.9173.80108.7
696R40.8Very low35.6Very low201 Ų201138.9 Ų138.976%0.75882%0.817SS**  trans-162.1122.1168-114.3166-97.5-131.83116.1D694D694-R696 IonicContact OD1-NH2 3.91Å; D694-R696 IonicContact OD2-CZ 3.26Å; D694-R696 VanDerWaalsContact OD2-CZ 3.26Å; D694-R696 IonicContact OD2-NE 3.07Å; D694-R696 PolarHBondContact OD2-NE 2.8Å; D694-R696 IonicContact OD2-NH2 2.68Å; D694-R696 PolarHBondContact OD2-NH2 2.93Å
697L34.2Very low35.9Very low159 Ų159138.9 Ų138.983%0.83282%0.817SS**  trans64139.2140.9-64.6168.1000123.1
698F44.6Very low35.9Very low206 Ų206140.4 Ų140.490%0.90482%0.821SS**  trans-83156.2163.8-59.9-107000111.4
699R32.2Very low36Very low244 Ų244138.3 Ų138.392%0.92182%0.816SS**  trans-152.6136.4142.7-171.2159.8-71.7-157.4-2.4111.6
700L42.1Very low35.2Very low170 Ų170139.9 Ų139.989%0.8982%0.818SS**  trans-91.6146.3170.5-68.3161.6000110.1
701A29.8Very low35Very low107 Ų107141.3 Ų141.388%0.88481%0.81SS**  trans-158.6141.315600000109.5
702A35.9Very low34.9Very low96 Ų96142.3 Ų142.379%0.79381%0.805SS**  trans-144.8142.7176.300000110.9
703M31.9Very low34.7Very low188 Ų188142.8 Ų142.893%0.92680%0.801SS**  trans-141.4140167.2-56.6-68.3-8000104.3
704G26.9Very low33.9Very low79 Ų79140.2 Ų140.281%0.81479%0.793SS**  cis94.3120.832.200000108.8
705G26Very low33.6Very low76 Ų76143.6 Ų143.678%0.78481%0.805SS**  cis-174.5157.2-5.400000112.6
706K32.8Very low32.5Very low182 Ų182142.7 Ų142.779%0.79180%0.803SS**  trans-9.3162149.5-71.3177.1179.5-179.50118.9
707P49.2Very low31.8Very low107 Ų107139.7 Ų139.770%0.69580%0.801SS**  cis-121.6-179.725.142.8-28.9000114
708N29.8Very low31.4Very low159 Ų159137.8 Ų137.885%0.8579%0.791SS**SBendcis-127.7158.516.9-48.9-59.9000110.5
709G30.8Very low30.5Very low64 Ų64138.2 Ų138.266%0.6679%0.787SS**  cis161.2139.2-5.800000108.6
710N27.4Very low30.6Very low143 Ų143134.5 Ų134.577%0.76578%0.777SS**  cis-147.8149.6-0.4-85.4-29.4000111.2
711L28.3Very low29.9Very low138 Ų138132.2 Ų132.272%0.72377%0.766SS**  trans32.5134.9146.4-48.4179.4000119.8
712S25.1Very low29.9Very low103 Ų103132 Ų13272%0.7276%0.758SS**  cis-147.9169.216.9-84.80000109.1
713A25.9Very low29.9Very low84 Ų84133.1 Ų133.169%0.69476%0.755SS**  52.8138.757.800000113.6
714T28.1Very low29.7Very low122 Ų122131.4 Ų131.475%0.74875%0.75SS**  cis-168.4161.4-614.90000109
715Q26.2Very low29.8Very low195 Ų195131.1 Ų131.191%0.91174%0.735SS**  trans64.4178.2152.2-93.5-176.9-43.100119.8
716E34.3Very low30.2Very low173 Ų173134.2 Ų134.281%0.80873%0.733SS**  trans-100.8177.6-170.7-175-176.3-172.400111.1
717I26.8Very low30Very low139 Ų139134 Ų13471%0.71374%0.735SS**  trans84.5141.5164-38.7170.1000115.8
718L25Very low29.3Very low119 Ų119133.7 Ų133.762%0.62374%0.735SS**  trans102.5120.1161.1-71.5107.6000119.6
719R26.8Very low29.5Very low214 Ų214132.1 Ų132.181%0.80873%0.731SS**  trans39.3114.1136.1-52.9-179.1-161.9138.55.7117.7
720K33.7Very low29.5Very low167 Ų167135.8 Ų135.873%0.72674%0.74SS**  79.214363.4-169.5-169.5170.9-65.20112.1
721D27.1Very low29.7Very low121 Ų121137.9 Ų137.965%0.64774%0.743SS**  trans81.7125.2178.8-54.9-46.5000113.2
722S29Very low29.7Very low104 Ų104137.2 Ų137.273%0.72774%0.744SS**  cis85.7132.645.9-175.20000111.3
723V36.8Very low29.8Very low118 Ų118136 Ų13672%0.71574%0.74SS**  cis-162.2162.4-2.5120.70000107.9
724D26.9Very low30.1Very low153 Ų153138.3 Ų138.382%0.81874%0.741SS**  trans-169.5152.8149.6-105.2-14.6000111.7
725S30.3Very low30.2Very low73 Ų73140.1 Ų140.151%0.5174%0.741SS.*  cis-172.1164.8-32.3-108.40000111.9
726N33.8Very low30.3Very low140 Ų140135.1 Ų135.175%0.74973%0.733SS**  trans73.9145.4173.5-48.6-68.2000116.1
727H29.7Very low31Very low177 Ų177132.2 Ų132.282%0.81973%0.729SS**  cis-121163.310.7-93.5-92.6000115.1
728S33.7Very low31.2Very low101 Ų101132.5 Ų132.571%0.70674%0.737SS**  trans-28.2147.5152.8134.70000116.3
729V34.6Very low31.4Very low127 Ų127130.6 Ų130.677%0.7775%0.746SS**  cis-169.9149-1363.80000109.3
730V30.2Very low31.3Very low140 Ų140126 Ų12685%0.84875%0.747SS**  trans-155.4164.4160113.70000110.9
731K30.8Very low32.3Very low187 Ų187122.8 Ų122.881%0.81374%0.743SS**  trans-102.5162.9177.4-48.7172.1-177.3175.30108.4
732V28.2Very low32.7Very low124 Ų124126.6 Ų126.675%0.75275%0.754SS**  cis-157.9122.530.5169.50000104.5
733A28.3Very low32.8Very low77 Ų77125 Ų12564%0.63675%0.754SS**  65.7114.865.600000113.7
734N30.9Very low32.6Very low133 Ų133124.6 Ų124.671%0.71176%0.763SS**  -173155.277.6-86.2-18.4000113.9
735H31.3Very low32.8Very low161 Ų161121.7 Ų121.775%0.74576%0.761SS**  trans8.1140.9154.9-41.9-61.5000121.8
736A29.1Very low32.8Very low90 Ų90124.7 Ų124.774%0.74478%0.775SS**  cis78.6155.530.300000115.4
737P48.8Very low32.6Very low112 Ų112124.4 Ų124.473%0.72778%0.779SS**  cis-139.8-154.6-16.135.7-12000114.9
738T30.8Very low32.5Very low144 Ų144120.4 Ų120.488%0.88378%0.776SS**  trans82.9150.8169.376.80000117.7
739G28.8Very low32.2Very low79 Ų79119.5 Ų119.581%0.81478%0.775SS**  cis-164.1-178.40.200000114
740S25.3Very low32.1Very low118 Ų118121.6 Ų121.683%0.82578%0.78SS**  trans-115.7-166.8-178.9-146.50000110
741P53.2Low32.2Very low100 Ų100125.6 Ų125.665%0.64978%0.779SS**  cis-140.3-155.7-8.133.5-7.7000114.6
742K36Very low32.9Very low200 Ų200121.9 Ų121.987%0.8778%0.775SS**  trans88.4145.4162.5-53.1173.1-177.2175.50118
743G32Very low33.1Very low71 Ų71124.9 Ų124.973%0.73278%0.781SS**  cis124.1112.3-2200000117.7
744A32.6Very low33.1Very low110 Ų110124.2 Ų124.291%0.90978%0.781SS**  trans60.8170.6170.100000116
745A30.1Very low33.1Very low92 Ų92122.8 Ų122.876%0.7678%0.782SS**  cis-124.7-142.4-3.400000109.4
746V31.1Very low33.2Very low135 Ų135122.7 Ų122.782%0.81879%0.786SS**  cis-141.9167.96.9-176.40000108
747V28.1Very low33.4Very low135 Ų135125.9 Ų125.982%0.81879%0.789SS**  trans-137162.6-179.81760000110.7
748A28.1Very low32.7Very low93 Ų93127.7 Ų127.777%0.76979%0.792SS**  trans80.5158.5161.200000119.4
749A28.8Very low32.8Very low81 Ų81125.2 Ų125.267%0.66978%0.781SS**  cis-176-171.8-2900000111
750I31.3Very low32.9Very low171 Ų171130.7 Ų130.788%0.87778%0.782SS**  trans92.1145.4149.6-68.7154.8000118.8
751R32.8Very low33.3Very low224 Ų224135.5 Ų135.585%0.84579%0.789SS**  trans-99.9161.1-175.1-164-166.3-165.9177.54.8109.3
752P46Very low32.1Very low110 Ų110133.8 Ų133.871%0.71479%0.789SS**  -160.2163.5109.139.4-20.2000118.1
753Q31.9Very low31.8Very low187 Ų187132.9 Ų132.987%0.87479%0.788SS**  trans58.6167.9153.5-56.8-79.616.800119.1
754G29.1Very low31.8Very low63 Ų63133 Ų13365%0.64979%0.789SS**  cis164.6116.8-19.200000116.8
755S29.2Very low31.7Very low103 Ų103134.3 Ų134.372%0.7278%0.781SS**  trans71.4105.1146.8-169.20000125.2
756L33.2Very low31.8Very low159 Ų159133.2 Ų133.283%0.83278%0.778SS**  58.6176.3126.9-61.9172.8000123.5
757I35.2Very low32.6Very low157 Ų157132.3 Ų132.381%0.80578%0.775SS**  trans86.3132.2173.7-52.6159.4000113.5
758N33.8Very low32.8Very low150 Ų150131.6 Ų131.680%0.80277%0.771SS**  cis-143.4-179.8-1-146.7-5.7000113.3
759S33.1Very low32.9Very low92 Ų92133.3 Ų133.364%0.64377%0.772SS**  trans-121.2-172.9164.1-71.80000111.8
760F29.9Very low33Very low193 Ų193133.9 Ų133.985%0.84678%0.777SS**  trans89.889.9167.7-74.8-89000120.2
761F33.7Very low32.9Very low219 Ų219136.2 Ų136.296%0.96178%0.781SS**  -143.9167.3116.4-88.5-72.2000107.5
762G28.6Very low32.6Very low64 Ų64128.9 Ų128.966%0.6678%0.775SS**  cis-170.9-156.61.700000110.7
763Q30.4Very low31.7Very low182 Ų182129 Ų12985%0.8579%0.785SS**  trans-139156.8178.2-73.1178.9-10000111.2N765Q763-N765 PolarHBondContact NE2-OD1 2.79Å; Q763-N765 VanDerWaalsContact NE2-OD1 3.09Å
764G30.8Very low31.7Very low72 Ų72125.3 Ų125.374%0.74279%0.787SS**  cis-179.4-140.82.300000111.3
765N30.2Very low31.8Very low139 Ų139127.4 Ų127.474%0.74379%0.792SS**  cis-153.5-27.94.5-88.9-47.6000116.2Q763Q763-N765 PolarHBondContact NE2-OD1 2.79Å; Q763-N765 VanDerWaalsContact NE2-OD1 3.09Å
766G32.4Very low31.9Very low68 Ų68131.1 Ų131.170%0.70180%0.798SS**  trans173-166.3-173.900000116.4
767P47.8Very low31.7Very low117 Ų117129.8 Ų129.876%0.7679%0.791SS**  cis-138-164.32.942.5-23.1000116.2
768T31.9Very low31.5Very low120 Ų120129.6 Ų129.674%0.73679%0.79SS**  trans74.299.5154.345.40000123.9
769T30.5Very low31.3Very low128 Ų128133.8 Ų133.879%0.78580%0.795SS**  40.6112.1119.756.50000124.6
770A31.2Very low31.5Very low93 Ų93133.9 Ų133.977%0.76980%0.801SS**  68.7149.2114.400000124.6
771K29.6Very low31.6Very low220 Ų220133.2 Ų133.296%0.95780%0.803SS**  trans69.6153.4176.4-58.9179.8179.81780115.7
772G26.1Very low31.5Very low71 Ų71127.4 Ų127.473%0.73279%0.789SS**  cis150.8116.8-13.700000114.8
773A28.2Very low32.1Very low111 Ų111134.5 Ų134.592%0.91780%0.796SS**  trans54.8128.316300000120.7
774A30.6Very low32.6Very low111 Ų111136 Ų13692%0.91779%0.794SS**  trans-162.3154.4146.200000110.7
775S31.4Very low32.7Very low106 Ų106141.5 Ų141.574%0.74179%0.794SS**  trans-136127.8171.957.50000109.2
776E30.8Very low32.8Very low182 Ų182139.4 Ų139.485%0.8579%0.79SS**  trans176.8160.4164.1-104.4170.2-141.900108.3
777N30.7Very low32.9Very low131 Ų131143 Ų14370%0.70180%0.798SS**  cis-142.2178.23-142.8-50.9000111.3
778I28.9Very low32.1Very low152 Ų152143.6 Ų143.678%0.77980%0.803SS**  trans-102165.7-172.7-64.8168.6000111.3
779R31Very low31.9Very low239 Ų239141.2 Ų141.290%0.90280%0.803SS**  trans90.5147.6165.5-150.1171.1-81-129.8-1.2112.6
780A36.4Very low31.8Very low93 Ų93140.9 Ų140.977%0.76981%0.806SS**  cis-134.4165.118.600000115.4
781M32.1Very low31.7Very low179 Ų179142.2 Ų142.288%0.88281%0.81SS**  trans-94.2152.2168.4-54.4-172.2-58.500111.7
782S33Very low31.9Very low98 Ų98139.1 Ų139.169%0.68580%0.804SS**  trans-162.8134.9136.4-96.80000113.7
783R39.8Very low32.6Very low213 Ų213141.1 Ų141.180%0.80480%0.803SS**  trans56.6113.3141.4-56.8163.7-166.4-108.1-1.6116
784R40.6Very low33.2Very low214 Ų214141.7 Ų141.781%0.80880%0.798SS**  50130.164.4-56.6-170.2174.2-144.4-2.7111.3
785Y34.3Very low33.1Very low187 Ų187142.1 Ų142.173%0.73379%0.785SS**  cis-135.5150.536.7-71.9-88000111.6
786S31.5Very low33.1Very low95 Ų95140.1 Ų140.166%0.66478%0.775SS**  43.9108.989.5-430000112.4
787V34.6Very low33Very low142 Ų142139.3 Ų139.386%0.86177%0.771SS**  63.583.467.3-174.70000112.2
788C30.3Very low33Very low130 Ų130139.3 Ų139.388%0.87877%0.771SS**  trans-131.9149.8142.9-65.10000105.8
789G28.4Very low33.1Very low70 Ų70137.3 Ų137.372%0.72278%0.777SS**  cis12394.50.800000111.9
790S29.4Very low33.1Very low122 Ų122130.6 Ų130.685%0.85377%0.766SS**  trans62.6111.7167.4-170.50000118.9
791S28.8Very low33Very low121 Ų121135.7 Ų135.785%0.84677%0.774SS**  trans-155.2134.2142.559.10000112
792N32.9Very low32.8Very low155 Ų155130.3 Ų130.383%0.82977%0.765SS**  trans-72.3174.7-173.7-101.7-0.8000114.9
793P40.9Very low32.6Very low112 Ų112131.5 Ų131.573%0.72777%0.773SS**  trans-80.2-179.2-169.635.9-39.8000113.8
794P40.4Very low32.3Very low123 Ų123125 Ų12580%0.79977%0.765SS**  -141.6166.610840-29.3000115.3
795N28.9Very low31.8Very low121 Ų121123 Ų12365%0.64777%0.771SS**  trans-140.4167.3140.7-165.612.7000108.8
796A30.4Very low31.5Very low64 Ų64117.3 Ų117.353%0.52977%0.769SS.*  trans-18.4149.8159.700000117.7
797Q29.9Very low31.4Very low164 Ų164118.1 Ų118.177%0.76677%0.774SS**  cis-166.91745.8-122.1165.5-5.900112.6
798N29.6Very low31.2Very low132 Ų132117 Ų11771%0.70677%0.768SS**  trans46.5115.2148.6-61.6-8.8000120.3
799A32Very low31.2Very low109 Ų109118 Ų11890%0.90176%0.763SS**  trans-103.9130.3139.300000108.6
800S30.9Very low31.2Very low98 Ų98121.9 Ų121.969%0.68577%0.767SS**  trans-131.588.7178.359.30000111.9
801Q33.6Very low31.4Very low200 Ų200120.6 Ų120.694%0.93576%0.758SS**  trans64147.9152.8-57.11699.100115.5
802G29.6Very low31.4Very low66 Ų66123 Ų12368%0.6876%0.761SS**  cis130.6102.118.200000106.5
803S27.6Very low31.4Very low124 Ų124120.2 Ų120.287%0.86776%0.76SS**  78.2127.896.7178.60000113.2
804A34.5Very low31.1Very low77 Ų77120.1 Ų120.164%0.63676%0.762SS**  cis-167.3170.6-8.600000109.5
805N30.1Very low30.7Very low172 Ų172118.8 Ų118.892%0.9276%0.761SS**  trans151.9127.4145-78.7-27.1000110.6
806G27.9Very low30.9Very low67 Ų67121.6 Ų121.669%0.69177%0.773SS**  cis162.1148.5-14.300000114
807S28.6Very low31.2Very low111 Ų111126.6 Ų126.678%0.77679%0.785SS**  trans69.3145.9158.6164.30000119.4
808T29.9Very low31.2Very low118 Ų118123.1 Ų123.172%0.72478%0.784SS**  cis-165-152.1-24.341.70000107
809I31.2Very low31.4Very low153 Ų153122.3 Ų122.379%0.78579%0.789SS**  trans86.8124.4172.8-54.8170.6000114
810N28.4Very low31.3Very low150 Ų150125.9 Ų125.980%0.80279%0.789SS**  cis-149169.1-7-135.2-13.2000114.1
811S33.6Very low31.6Very low95 Ų95129.9 Ų129.966%0.66480%0.802SS**  trans-90.9160.9-179.5-490000114.3
812N28.8Very low31.7Very low172 Ų172128.4 Ų128.492%0.9279%0.792SS**  -165.3163.5125.2-101.9-34.7000113.3
813A33.1Very low31.9Very low97 Ų97135.5 Ų135.580%0.80280%0.799SS**  trans-116.4-178.3-173.700000111
814S35Very low32.1Very low110 Ų110140.8 Ų140.877%0.76980%0.8SS**  cis-158.5-178.111.167.70000112.7
815A30.1Very low32.1Very low94 Ų94145 Ų14578%0.77781%0.811SS**  trans72.8102154.700000121
816M34.9Very low32.2Very low181 Ų181144.9 Ų144.989%0.89281%0.808SS**  -156.2173.8108.4-127.9-180178.900113.1
817E35.4Very low32.4Very low168 Ų168145.8 Ų145.879%0.78581%0.809SS**  trans-55143-172.5-67.5173.614200114.3
818A30.2Very low32.5Very low91 Ų91145.7 Ų145.775%0.75282%0.815SS**  cis8386.448.400000115.1
819S34.8Very low32.5Very low115 Ų115143 Ų14380%0.80481%0.811SS**  trans-157.986.6150.927.20000114
820M30.2Very low32.5Very low184 Ų184145.5 Ų145.591%0.90682%0.819SS**  trans52.8107.5140.7-55.1-158.8-6500121.8
821L35.7Very low32.5Very low183 Ų183141.6 Ų141.696%0.95882%0.815SS**  trans-152.392152.4-111.6158.6000110.9
822K35.7Very low32.4Very low168 Ų168144.9 Ų144.973%0.7382%0.821SS**  trans-159.8113.4178.6-163.7162.4-171.8167.50115.3
823R34.1Very low32.8Very low215 Ų215143 Ų14381%0.81182%0.816SS**  trans69.2146.3170.8-60174.7-73.4-156-0.2114.2
824R32.8Very low33.8Very low236 Ų236143 Ų14389%0.89181%0.808SS**  cis-141172.532.5-77.5179.2164.4156.8-3.7114.6
825L32.8Very low34.9Very low165 Ų165143 Ų14386%0.86481%0.805SS**  trans-74.7170163.7-62.6129.9000112.3
826I33.1Very low35Very low169 Ų169144.2 Ų144.287%0.86780%0.803SS**  trans141.3152.9146.8-73.8159.3000111.1
827A32.3Very low35.1Very low87 Ų87143.7 Ų143.772%0.71980%0.798SS**  trans-118.7178.2-175.100000113.2
828A29.9Very low35.2Very low109 Ų109146.1 Ų146.190%0.90180%0.8SS**  trans69.9153.2-171.400000114.9
829G29.8Very low36.3Very low62 Ų62146.7 Ų146.764%0.63980%0.796SS**  cis163.7164.8-9.300000112.9
830H31.3Very low36.5Very low204 Ų204149.8 Ų149.894%0.94479%0.79SS**  trans67.1157.5169.9-67.765.4000119.6
831G29.7Very low36.5Very low69 Ų69149.8 Ų149.871%0.71178%0.781SS**  trans86.9135173.300000115.3
832M31.8Very low36.4Very low164 Ų164145.8 Ų145.881%0.80877%0.769SS**  cis66.7129.921.5-52.6-100.158.900113.1
833V36.1Very low36.4Very low133 Ų133141.9 Ų141.981%0.80677%0.768SS**  -157.5150.550.8159.20000113.8
834P54.5Low36.3Very low96 Ų96139 Ų13962%0.62377%0.774SS**  trans-97.1173.4169.839.8-36.8000113.8
835P57.3Low36.2Very low109 Ų109130.5 Ų130.571%0.70876%0.76SS**  cis-129.4-134.131.938.4-14.7000114.2
836T33.3Very low36.3Very low120 Ų120127.5 Ų127.574%0.73676%0.759SS**  cis-129.4151.535.8440000113.5
837Q36Very low36.2Very low170 Ų170124.4 Ų124.479%0.79475%0.752SS**  6313680.8-53.6-167.215.700117.6
838R38.2Very low36.2Very low220 Ų220127.6 Ų127.683%0.8375%0.752SS**  cis160.4-177.3-17.6-121.3-160.7165.4-175.8-1.6106.2
839P52.1Low36.3Very low103 Ų103129.4 Ų129.467%0.66974%0.744SS**  cis-121.8-162.8-9.642.7-25.8000112
840R39.4Very low36.3Very low180 Ų180132 Ų13268%0.67975%0.748SS**  cis-111.9-107.5-6.5-70.3179.9173.3-160.7-6.3109.9
841Y30.4Very low36.3Very low183 Ų183128.3 Ų128.372%0.71874%0.74SS**  cis-149.9-160.7-24.5-132.3-19.8000112.7
842S34.2Very low36.3Very low99 Ų99129.2 Ų129.269%0.69274%0.74SS**  trans-166.6169.5-158.551.50000111.6
843A35.3Very low36.1Very low86 Ų86128.6 Ų128.671%0.71174%0.737SS**  cis-179.7-175.1-2200000109.6
844V32.4Very low35.9Very low154 Ų154131 Ų13193%0.93374%0.739SS**  trans76.6144.1167.4-170.50000116.1
845G29.6Very low34.9Very low59 Ų59130.2 Ų130.261%0.60875%0.749SS**  cis-158.7162.7-0.400000112
846A35.8Very low33.8Very low102 Ų102130.6 Ų130.684%0.84375%0.754SS**  60.9134.797.500000115.1
847S30.8Very low34Very low103 Ų103129.7 Ų129.772%0.7275%0.753SS**  cis-157.2156.810.4-95.90000108.7
848Q32.8Very low34.2Very low154 Ų154129 Ų12972%0.7275%0.754SS**  cis103.5139.545.2-155.7-158.995.300112.4
849M31.8Very low34.3Very low147 Ų147126.6 Ų126.672%0.72476%0.756SS**  trans68157175.2-56.8-57.4168.900115.7
850T28.6Very low33.7Very low118 Ų118127.4 Ų127.472%0.72476%0.759SS**  cis-160.9177-89.90000107
851T32Very low33.7Very low126 Ų126130.1 Ų130.177%0.77377%0.769SS**  cis-157.8145.139.80000105.3
852A29Very low34Very low87 Ų87130.9 Ų130.972%0.71978%0.776SS**  92.9137.460.600000116.7
853M28Very low34Very low152 Ų152131.3 Ų131.375%0.74978%0.779SS**  trans81.3121.8163.7-55.2-15971.200122.6
854Q33.3Very low33.8Very low183 Ų183134.2 Ų134.286%0.85579%0.788SS**  trans37144.2133.3-59.5-178.9-12.300122.2
855G32.3Very low33.7Very low79 Ų79130.4 Ų130.481%0.81478%0.78SS**  trans16192156.700000117.6
856S34.5Very low33.6Very low118 Ų118134.2 Ų134.283%0.82580%0.795SS**  trans-56.8151171.151.40000117.6
857S36.9Very low33.6Very low101 Ų101133.5 Ų133.571%0.70679%0.789SS**  trans90.3127140.1-153.90000121.6
858L40.7Very low34.4Very low155 Ų155135 Ų13581%0.81280%0.797SS**  trans32.3131.6142.2-59.1172.3000121.7
859L41.1Very low34.5Very low169 Ų169131.2 Ų131.289%0.88579%0.792SS**  -168.7173.9120.1-106.8168.5000114.1
860V38.4Very low34.7Very low120 Ų120134.4 Ų134.473%0.72780%0.797SS**  trans-134.4132-170.71750000112.2
861R40Very low34.8Very low238 Ų238136.4 Ų136.490%0.89880%0.798SS**  trans176.7147.1152.2-85.5133.8-155.9-1237.7107.7
862K36.1Very low34.9Very low199 Ų199138.3 Ų138.387%0.86580%0.796SS**  cis95.589.214.4-166.4-177.6174.6179.50117.4
863S33.7Very low35Very low107 Ų107141.8 Ų141.875%0.74880%0.797SS**  trans-171.1127.8147.946.60000108.8
864V31.8Very low35.2Very low147 Ų147141.5 Ų141.589%0.89180%0.797SS**  60.513284.9-175.50000113.5
865G31.2Very low34.9Very low74 Ų74137.9 Ų137.976%0.76379%0.792SS**  trans-135.5-178.5178.500000113
866C26.9Very low36.2Very low139 Ų139139.7 Ų139.794%0.93979%0.79SS**  trans-159.3173.6179.7-158.70000111.9
867A36.6Very low36.3Very low87 Ų87140.2 Ų140.272%0.71979%0.788SS**  trans-145.7140.417400000112.6
868P46.3Very low35.9Very low134 Ų134138.6 Ų138.687%0.8779%0.787SS**  trans-107.4178.6160.439.3-31000112.1
869A35.9Very low35.3Very low75 Ų75134.9 Ų134.962%0.6279%0.786SS**  trans-158.5176.5175.900000113
870Y34.8Very low34.9Very low215 Ų215131.8 Ų131.884%0.84379%0.785SS**  trans73161.4175.2-48.1-78.4000114.8
871Q32.3Very low34.6Very low159 Ų159131.3 Ų131.374%0.74379%0.787SS**  cis-151.3156.910-157.4158.6-79.500114.6
872K33.8Very low34.2Very low167 Ų167126.7 Ų126.773%0.72678%0.78SS**  trans-10.6161.3161-49.4174.4-169.2177.90119.4
873Q30.4Very low34Very low160 Ų160124.8 Ų124.875%0.74878%0.778SS**  cis-145.3-147.424.9-141.6139.2-101.100109.9
874I32.1Very low34.1Very low145 Ų145128 Ų12874%0.74478%0.781SS**  cis-154.2-177.27.8-155.4155.8000111.7
875S28.1Very low34.1Very low108 Ų108130.5 Ų130.576%0.75578%0.78SS**  trans-164.7-180178.8-69.20000109.3
876P59.3Low34.4Very low116 Ų116133.1 Ų133.175%0.75378%0.781SS**  cis-121.1175.1-0.241.1-24000113
877T35.1Very low35.1Very low129 Ų129132.6 Ų132.679%0.79178%0.776SS**  -157.4153.550-69.80000109.8
878G29Very low34.8Very low67 Ų67136.6 Ų136.669%0.69178%0.78SS**  cis118.3179.69.600000111.1
879G29.1Very low34.2Very low77 Ų77137.7 Ų137.779%0.79478%0.777SS**  cis-85.9-103.3-3.900000113.5
880A31.3Very low34Very low104 Ų104138 Ų13886%0.8678%0.779SS**  cis-154.5-175.34.600000112.6
881S32.2Very low33.9Very low110 Ų110133 Ų13377%0.76978%0.776SS**  trans-77.2145.7-175.1-82.30000114.9
882L32.6Very low33.9Very low141 Ų141131.6 Ų131.674%0.73878%0.778SS**  cis-162.8146-12-158.170.9000112.2
883L31.6Very low33.8Very low159 Ų159132 Ų13283%0.83278%0.782SS**  trans63.7150.4153.6-91.6169.3000122.7
884Q36.4Very low33.8Very low174 Ų174127 Ų12781%0.81377%0.774SS**  trans-120.1147.6171-58172.2-49.200110.1
885K30.9Very low33.8Very low201 Ų201125.9 Ų125.987%0.87478%0.779SS**  trans-175.4165132.3-106.8165.5-177176.80114.5
886T38.9Very low34.1Very low128 Ų128124.2 Ų124.279%0.78577%0.772SS**  trans-56.6156.3176.149.60000115.5
887P40.8Very low32.7Very low128 Ų128127.5 Ų127.583%0.83177%0.774SS**  trans-138.717813139.6-27.8000115.3
888Q30.6Very low32.5Very low172 Ų172127.8 Ų127.880%0.80477%0.771SS**  trans-124.5138.3176.8-102.7-178-17.900110.1
889I32.4Very low32.5Very low157 Ų157132.3 Ų132.381%0.80578%0.78SS**  trans67.9149.4152.5-48.3157.3000118.3
890A31.4Very low32.6Very low81 Ų81137.4 Ų137.467%0.66978%0.78SS**  trans116.894.5144.100000121.6
891S34.5Very low32.4Very low110 Ų110136.4 Ų136.477%0.76977%0.772SS**  64.5168.1124.466.50000124.7
892V32Very low32.3Very low129 Ų129140 Ų14078%0.78278%0.777SS**  trans77.3133172.7-173.20000114.6
893Q31.3Very low32.5Very low175 Ų175139 Ų13982%0.81878%0.779SS**  cis-147.4176.6-0.6-139.5-174.3-10400107.9
894G30.8Very low32.4Very low56 Ų56140.3 Ų140.358%0.57778%0.778SS**  cis118138-10.800000115.7
895S32.3Very low32.7Very low122 Ų122137.9 Ų137.985%0.85378%0.777SS**  trans78.6143.9-179.9-163.40000116.5
896A34.3Very low32.7Very low72 Ų72132.8 Ų132.860%0.59577%0.772SS**  cis-166.6145.6-23.100000113.5
897F30.2Very low32.2Very low185 Ų185130.6 Ų130.681%0.81177%0.767SS**  trans32.2140.6140.9-69.7-80.8000126.4
898N30.3Very low31.7Very low135 Ų135130.5 Ų130.572%0.72276%0.764SS**  trans62.8124.4138.7-64.3-11.6000121.7
899D29.8Very low31.7Very low163 Ų163126.9 Ų126.987%0.87276%0.764SS**  -135-178.1115.7-152.2-17.4000108.4
900F29.3Very low31.4Very low183 Ų183124.1 Ų124.180%0.80376%0.759SS**  trans-148.7177.2-151.7-154.1-116.2000114.6
901A28.9Very low31.3Very low83 Ų83126.2 Ų126.269%0.68676%0.763SS**  trans72.3149.1166.400000117
902Q29.4Very low30.9Very low187 Ų187128.7 Ų128.787%0.87477%0.767SS**  cis-136.9165.6-3.8-73.6-166.5-100111.8
903P36.3Very low30.6Very low120 Ų120125.5 Ų125.578%0.77976%0.761SS**  trans-116.4167.6-177.441.1-32.4000117
904K30.4Very low30.4Very low186 Ų186125.8 Ų125.881%0.80976%0.762SS**  trans79.4152.8159.5-154.9170.8-175.2177.30115.7
905P43Very low30.3Very low123 Ų123132.7 Ų132.780%0.79978%0.779SS**  cis-98177.3-2.14.519.9000114.4
906A29.3Very low30.2Very low93 Ų93131.4 Ų131.477%0.76977%0.77SS**SBendcis-133.3174.816.300000114.7
907A29.8Very low29.8Very low83 Ų83133.8 Ų133.869%0.68678%0.782SS**  trans-15121.1-176.200000118.6
908T30Very low30.4Very low126 Ų126130.9 Ų130.977%0.77378%0.782SS**  59.11326469.20000114.2
909A29.4Very low30.5Very low96 Ų96130.7 Ų130.779%0.79379%0.786SS**  cis-173.9168.22.800000108.6
910S25.9Very low30.6Very low99 Ų99129 Ų12969%0.69279%0.787SS**  cis-177.3138.4-15.3167.30000110.6
911V29.3Very low30.8Very low125 Ų125124.8 Ų124.876%0.75879%0.786SS**  trans63133.9158.8168.20000117.8
912N26Very low30.8Very low161 Ų161129 Ų12986%0.86180%0.796SS**  cis100.3143.724.1-80.518.4000117.3
913G26.1Very low31.2Very low63 Ų63129 Ų12965%0.64979%0.794SS**  trans120.781.3-169.600000108.9
914E28.5Very low31.3Very low181 Ų181134.7 Ų134.785%0.84680%0.799SS**  55.8133.880.2-62.5-163.112000112.4
915E28.6Very low31.3Very low201 Ų201131 Ų13194%0.93980%0.797SS**  cis-102.7-177.432.8-60.4-178.8123.500116.4
916S30Very low30.9Very low95 Ų95133.5 Ų133.566%0.66480%0.803SS**  trans-137.1166.9-168.565.20000113.6
917S25.9Very low31Very low121 Ų121135 Ų13585%0.84680%0.802SS**  trans-152.999.9170.4-78.10000110.7
918P41.8Very low31Very low125 Ų125137.4 Ų137.481%0.81281%0.808SS**  trans-85.9141.1-179.133-33.5000112.4
919T32.6Very low31.2Very low131 Ų131135.7 Ų135.780%0.80481%0.807SS**  trans-92.5147.9169.7530000111
920S32.3Very low31.1Very low127 Ų127136.8 Ų136.889%0.88880%0.799SS**  trans169.7157.2133.646.80000112.7
921A32.8Very low31.3Very low95 Ų95138.2 Ų138.279%0.78580%0.804SS**  trans-84.1161.1-170.600000114.4
922L30.4Very low31.5Very low171 Ų171141.1 Ų141.190%0.89581%0.806SS**  trans-145.4143.1152.1-112.1174000112.2
923K36.8Very low31.8Very low188 Ų188139.5 Ų139.582%0.81780%0.802SS**  trans-90.1144-174.9-55.1170.4-177.7176.10111.1
924R39.1Very low31.9Very low238 Ų238141.4 Ų141.490%0.89881%0.806SS**  trans-164.8113.2149.7-102141.2-147.4-1066.2114
925S29.4Very low31.9Very low109 Ų109142.4 Ų142.476%0.76281%0.807SS**  trans-2.1124151.7-173.60000118.6
926L34.2Very low32Very low175 Ų175141.4 Ų141.492%0.91680%0.803SS**  trans-101.2137.5150-99167.6000109.4
927V31.7Very low31.9Very low125 Ų125143.8 Ų143.876%0.75881%0.808SS**  trans-90.7121.7-172.6176.10000110.7A929V927-A929 PolarHBondContact O-N 3.19Å
928V31.2Very low32.1Very low133 Ų133145.5 Ų145.581%0.80681%0.807SS**  trans-74.1112.3171.5178.30000109.8N930V928-N930 PolarHBondContact O-N 3.29Å
929A32.6Very low31.7Very low91 Ų91147.5 Ų147.575%0.75281%0.81SS**  trans-75.191.817600000111V927V927-A929 PolarHBondContact O-N 3.19Å
930N28.3Very low31.5Very low119 Ų119149 Ų14964%0.63681%0.808SS**  trans-75.1118.8-179.5179.21.9000112.1V928 K932V928-N930 PolarHBondContact O-N 3.29Å; N930-K932 PolarHBondContact OD1-N 2.95Å
931T30.7Very low31.5Very low128 Ų128151.8 Ų151.879%0.78581%0.807SS**  trans-123.279.4169.952.10000112.1T933T931-T933 PolarHBondContact O-N 3.49Å
932K32.3Very low31.3Very low187 Ų187152 Ų15281%0.81381%0.808SS**  trans-61.2126.4160.9-70.3-179.4177-1780110N930N930-K932 PolarHBondContact OD1-N 2.95Å
933T32.8Very low31.1Very low127 Ų127148.2 Ų148.278%0.77980%0.796SS**  trans-126.1133.9154.747.50000108.8T931T931-T933 PolarHBondContact O-N 3.49Å
934S27.1Very low30.8Very low102 Ų102147.9 Ų147.971%0.71380%0.798SS**  trans-82.6135.2-177.7-175.40000110.3
935F28.9Very low30.3Very low202 Ų202141.7 Ų141.789%0.88679%0.787SS**  trans-125.299.9157.4-94.7-85.3000108.9
936Q30.6Very low30.3Very low180 Ų180142.3 Ų142.384%0.84179%0.785SS**  trans-131.172.1171.8-172.4-177.61100108.4
937D27.9Very low30Very low146 Ų146139.8 Ų139.878%0.78177%0.769SS**  trans-155.4162.7160.6-147-19.8000111
938L29.7Very low29.9Very low157 Ų157143 Ų14382%0.82277%0.767SS**  trans62.775.6175.5-114.471.9000117.8
939L33.3Very low29.8Very low166 Ų166143.8 Ų143.887%0.86977%0.767SS**  trans-10494.3156.1-173.487.3000109.9
940Q29.6Very low29.8Very low162 Ų162147 Ų14776%0.75776%0.764SS**  trans-15496.1179.8-14998.7127.700115.7
941Q31.1Very low30.1Very low186 Ų186149.2 Ų149.287%0.86978%0.775SS**  trans64.4160.3156.9-63.1175-9.500117
942A28.7Very low30.2Very low99 Ų99149.4 Ų149.482%0.81877%0.766SS**  cis-135.8171.29.500000113.9
943S27.6Very low30.3Very low92 Ų92146.1 Ų146.164%0.64377%0.767SS**  trans-82.3151.6-174.547.30000116.1
944Q30.7Very low30.3Very low181 Ų181145.6 Ų145.685%0.84677%0.768SS**  177.4121122.1-92.9161.559.400108
945T28.9Very low30.7Very low109 Ų109149.8 Ų149.867%0.66978%0.777SS**  cis78.8128.342.770.50000116.1
946V28.4Very low30.9Very low121 Ų121146.3 Ų146.373%0.73377%0.772SS**  trans77.5134.2138.2153.80000116.9
947Q28.8Very low31Very low123 Ų123142.1 Ų142.158%0.57577%0.768SS**  cis-159.3161-3.2-108.7173.775.300112.8
948R27.8Very low31.2Very low191 Ų191139.4 Ų139.472%0.72177%0.766SS**  trans23.9145.4131.7-54.6174.1-178.1130.4-4.9119.5
949N30.7Very low31.4Very low150 Ų150138.5 Ų138.580%0.80277%0.768SS**  -160.1158.669.9-87.1-49.4000115.5
950K32.4Very low31.3Very low158 Ų158138 Ų13869%0.68776%0.764SS**  trans-97.9139.9171.8-175.2-163.3-168.7-165.80109E952K950-E952 HydrophobicContact CD-CG 4.22Å; K950-E952 VanDerWaalsContact CE-OE1 3.31Å; K950-E952 WeakPolarHBondContact CE-OE1 3.4Å; K950-E952 HydrophobicContact CG-CG 4.42Å; K950-E952 IonicContact NZ-OE1 2.72Å; K950-E952 PolarHBondContact NZ-OE1 3.25Å
951I34.7Very low31.3Very low167 Ų167134.2 Ų134.286%0.85676%0.76SS**  trans-132.9145.2160.9-62.4-177.5000106.9
952E32.9Very low31.4Very low131 Ų131130.1 Ų130.161%0.61276%0.758SS**  trans-108.5149.1-167.8-72166.913600113.1K950K950-E952 HydrophobicContact CD-CG 4.22Å; K950-E952 VanDerWaalsContact CE-OE1 3.31Å; K950-E952 WeakPolarHBondContact CE-OE1 3.4Å; K950-E952 HydrophobicContact CG-CG 4.42Å; K950-E952 IonicContact NZ-OE1 2.72Å; K950-E952 PolarHBondContact NZ-OE1 3.25Å
953S34.1Very low31.8Very low119 Ų119132.3 Ų132.383%0.83276%0.756SS**  trans42.4117.9149.160.70000120.6
954S31.6Very low32.5Very low115 Ų115135.4 Ų135.480%0.80477%0.766SS**  trans-141.8117.8135.161.80000109.6
955E37.3Very low32.8Very low191 Ų191136.3 Ų136.389%0.89377%0.767SS**  trans-83142.4176-178.9175.5-165.300110
956T33.2Very low33.1Very low129 Ų129136.1 Ų136.179%0.79177%0.77SS**  trans-150.2109.5172.2-43.20000110
957A32.3Very low33.7Very low91 Ų91137 Ų13775%0.75277%0.77SS**  trans-74.9141.9175.400000111
958A30.8Very low34.3Very low89 Ų89138.1 Ų138.174%0.73678%0.78SS**  trans-110.191.3173.800000109.9I960A958-I960 PolarHBondContact O-N 3.43Å
959T33.7Very low34.8Very low139 Ų139136.8 Ų136.885%0.85379%0.787SS**  trans-69.1120.2170-49.60000109.1
960I31.1Very low35.1Very low156 Ų156137.3 Ų137.380%0.879%0.789SS**  trans-111.6115.4169-61.8179.2000107.1A958A958-I960 PolarHBondContact O-N 3.43Å
961A30.3Very low35.7Very low81 Ų81139 Ų13967%0.66980%0.796SS**PPolyproline II helixtrans-71.5144.5168.700000109.6
962A34Very low35.9Very low101 Ų101142.9 Ų142.984%0.83580%0.8SS**PPolyproline II helixtrans-102.1116.7167.600000107.8
963D37.6Very low36.3Very low145 Ų145145 Ų14578%0.77581%0.81SS**PPolyproline II helixtrans-69.6158.4179.5-65.2-42.2000112.2
964D41.9Very low36.9Very low157 Ų157145.7 Ų145.784%0.8481%0.812SS**PPolyproline II helixtrans-56.2135.1-164.4-61-62.1000116.6
965F37.1Very low37.3Very low199 Ų199146.1 Ų146.187%0.87381%0.809SS**  trans-138.4109.3154.5-82.3-82.6000110.8
966S33.9Very low37.1Very low105 Ų105144.4 Ų144.473%0.73481%0.807SS**  trans-67.5138.5177.4-500000112.5
967L41.8Very low37.5Very low140 Ų140143.7 Ų143.773%0.73380%0.804SS**  trans-100.718.3-177-67.2174.9000114.4N969 L970L967-N969 PolarHBondContact O-N 3.4Å; L967-L970 PolarHBondContact O-N 2.95Å
968D41Very low37.7Very low146 Ų146143.2 Ų143.278%0.78180%0.8SS**THydrogen-bonded Turntrans-70.97.6-166.9-70.7-28.6000116.8
969N38.3Very low38.1Very low164 Ų164148.6 Ų148.688%0.87781%0.81SS**THydrogen-bonded Turntrans-122.614.9179.4-80.8-70.9000115L967 K971L967-N969 PolarHBondContact O-N 3.4Å; N969-K971 VanDerWaalsContact C-N 3.29Å; N969-K971 PolarHBondContact O-N 2.9Å
970L38.3Very low38.4Very low160 Ų160148.2 Ų148.284%0.83880%0.803SS**  trans-81.468.1174.8-162.179.6000112.8L967L967-L970 PolarHBondContact O-N 2.95Å
971K44.3Very low38.8Very low193 Ų193147.4 Ų147.484%0.83980%0.796SS**  trans-171.3107.3158.5-111.8163.6-173.6179.30113.9N969N969-K971 VanDerWaalsContact C-N 3.29Å; N969-K971 PolarHBondContact O-N 2.9Å
972R39.4Very low39.4Very low249 Ų249151.5 Ų151.594%0.9481%0.806SS**  trans-170.2119.9145.1-105.7162.8-160.5-158.23109.4
973E41Very low39.9Very low175 Ų175153.4 Ų153.482%0.81880%0.802SS**  trans-74.2142.5167.3-65.5162.3130.500109V975E973-V975 PolarHBondContact O-N 2.86Å; E973-V975 VanDerWaalsContact O-N 3.11Å
974P46.6Very low40.2Very low134 Ų134154.2 Ų154.287%0.8781%0.805SS**  trans-75.396.4168.430.7-31.5000109.4
975V39.1Very low40.2Very low124 Ų124154.7 Ų154.775%0.75281%0.806SS**PPolyproline II helixtrans-74.3122.3161.7172.90000108E973E973-V975 PolarHBondContact O-N 2.86Å; E973-V975 VanDerWaalsContact O-N 3.11Å
976D34.3Very low40.3Very low156 Ų156148.6 Ų148.683%0.83480%0.8SS**PPolyproline II helixtrans-69.1129.5166.6-101.8-38.4000109.4
977P40Very low40.7Very low113 Ų113154.2 Ų154.273%0.73483%0.83SS**PPolyproline II helixtrans-74.4132.1-179.330.1-33.7000111.1
978A37.8Very low40.6Very low82 Ų82155 Ų15568%0.67883%0.834SS**PPolyproline II helixtrans-67.7151.4178.200000112.8D980A978-D980 PolarHBondContact O-N 2.91Å
979E38.3Very low40.6Very low202 Ų202155.4 Ų155.494%0.94484%0.837SS**  trans-75.1100.2156.7-73.1-164.8130.500108.7H981E979-H981 PolarHBondContact O-N 3.27Å
980D40.3Very low40.7Very low131 Ų131154.9 Ų154.970%0.70184%0.835SS**  trans-66.1122.7-179.7-90-13000112.6A978A978-D980 PolarHBondContact O-N 2.91Å
981H40.1Very low40.8Very low139 Ų139154.6 Ų154.664%0.64484%0.835SS**  trans47.9131140.1-62.5-72.8000120.6E979E979-H981 PolarHBondContact O-N 3.27Å
982N41.6Very low40.6Very low167 Ų167152.3 Ų152.389%0.89384%0.835SS**  -155.7131.6107.9-100.8-80.8000109.9
983D46.2Very low40.7Very low140 Ų140145.8 Ų145.875%0.74983%0.828SS**  trans-70153.3173.5-52.9-80.3000111.8
984I42.9Very low40.7Very low163 Ų163143.7 Ų143.784%0.83683%0.828SS**  -155.4127.2117.3-157.6159.2000113.3
985L42.4Very low40.2Very low166 Ų166144.5 Ų144.587%0.86983%0.825SS**  trans-24.3142.4171.2-55.6165.5000119
986G39.1Very low40.3Very low72 Ų72146.2 Ų146.274%0.74283%0.831SS**  125.687.3111.600000119.6
987V41Very low40.9Very low223 Ų223145.3 Ų145.3100%1.35283%0.831SS**  -138.30114.1179.90000107.3

Retrieved 987 of 987 residues in 295.3 ms (Link to these results)